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Sample records for modeling approaches ternary

  1. A hidden Markov model approach to analyze longitudinal ternary outcomes when some observed states are possibly misclassified.

    Science.gov (United States)

    Benoit, Julia S; Chan, Wenyaw; Luo, Sheng; Yeh, Hung-Wen; Doody, Rachelle

    2016-04-30

    Understanding the dynamic disease process is vital in early detection, diagnosis, and measuring progression. Continuous-time Markov chain (CTMC) methods have been used to estimate state-change intensities but challenges arise when stages are potentially misclassified. We present an analytical likelihood approach where the hidden state is modeled as a three-state CTMC model allowing for some observed states to be possibly misclassified. Covariate effects of the hidden process and misclassification probabilities of the hidden state are estimated without information from a 'gold standard' as comparison. Parameter estimates are obtained using a modified expectation-maximization (EM) algorithm, and identifiability of CTMC estimation is addressed. Simulation studies and an application studying Alzheimer's disease caregiver stress-levels are presented. The method was highly sensitive to detecting true misclassification and did not falsely identify error in the absence of misclassification. In conclusion, we have developed a robust longitudinal method for analyzing categorical outcome data when classification of disease severity stage is uncertain and the purpose is to study the process' transition behavior without a gold standard. Copyright © 2016 John Wiley & Sons, Ltd.

  2. Consideration of the Verleur model of far-infrared spectroscopy of ternary compounds

    International Nuclear Information System (INIS)

    Robouch, B. V.; Kisiel, A.; Sheregii, E. M.

    2001-01-01

    The clustering model proposed by Verleur and Barker [Phys. Rev. 149, 715 (1966)] to interpret far infrared data for face-centered-cubic ternary compounds is critically analyzed. It is shown that their approach, satisfactory for fitting some ternary compound spectral curves, is too restricted by its one-parameter β model to be able to describe preferences (with respect to a random distribution case) for the five tetrahedron configurations

  3. A Three-dimensional Topological Model of Ternary Phase Diagram

    International Nuclear Information System (INIS)

    Mu, Yingxue; Bao, Hong

    2017-01-01

    In order to obtain a visualization of the complex internal structure of ternary phase diagram, the paper realized a three-dimensional topology model of ternary phase diagram with the designed data structure and improved algorithm, under the guidance of relevant theories of computer graphics. The purpose of the model is mainly to analyze the relationship between each phase region of a ternary phase diagram. The model not only obtain isothermal section graph at any temperature, but also extract a particular phase region in which users are interested. (paper)

  4. Different approaches in Partial Least Squares and Artificial Neural Network models applied for the analysis of a ternary mixture of Amlodipine, Valsartan and Hydrochlorothiazide

    Science.gov (United States)

    Darwish, Hany W.; Hassan, Said A.; Salem, Maissa Y.; El-Zeany, Badr A.

    2014-03-01

    Different chemometric models were applied for the quantitative analysis of Amlodipine (AML), Valsartan (VAL) and Hydrochlorothiazide (HCT) in ternary mixture, namely, Partial Least Squares (PLS) as traditional chemometric model and Artificial Neural Networks (ANN) as advanced model. PLS and ANN were applied with and without variable selection procedure (Genetic Algorithm GA) and data compression procedure (Principal Component Analysis PCA). The chemometric methods applied are PLS-1, GA-PLS, ANN, GA-ANN and PCA-ANN. The methods were used for the quantitative analysis of the drugs in raw materials and pharmaceutical dosage form via handling the UV spectral data. A 3-factor 5-level experimental design was established resulting in 25 mixtures containing different ratios of the drugs. Fifteen mixtures were used as a calibration set and the other ten mixtures were used as validation set to validate the prediction ability of the suggested methods. The validity of the proposed methods was assessed using the standard addition technique.

  5. Preparation and Evaluation of Taste Masked Famotidine Formulation Using Drug/β-cyclodextrin/Polymer Ternary Complexation Approach

    OpenAIRE

    Patel, Ashok R.; Vavia, Pradeep R.

    2008-01-01

    The main aim of the present study was to evaluate potential of ternary complexation (comprising of drug, cyclodextrin and polymer) as an approach for taste masking. For this purpose famotidine with property of bitter taste was selected as a model drug. Improvement in taste masking capability of cyclodextrin towards famotidine was evaluated by formulating a ternary complex including hydrophilic polymer hydroxyl propyl methyl cellulose (HPMC 5 cps) as the third component. Phase solubility analy...

  6. First approach for thermodynamic modelling of the high temperature oxidation behaviour of ternary γ′-strengthened Co–Al–W superalloys

    International Nuclear Information System (INIS)

    Klein, L.; Zendegani, A.; Palumbo, M.; Fries, S.G.; Virtanen, S.

    2014-01-01

    Highlights: • Thermodynamic modelling of the oxidation behaviour of a novel Co-base superalloy. • Calculated oxide layer sequence is in good agreement with formed oxide scales. • Prediction of an optimised alloy composition with increased phase stability. • Prediction of the influence of oxygen partial pressure on Al 2 O 3 formation. - Abstract: In the present work, thermodynamic modelling of the high temperature oxidation behaviour of a γ′-strengthened Co-base superalloy is presented. The ternary Co–9Al–9W alloy (values in at%) was isothermally oxidised for 500 h at 800 and 900 °C in air. Results reveal that the calculated oxide layer sequence (Thermo-Calc, TCNI6) is in good agreement with the formed oxide scales on the alloy surface. Furthermore, prediction of the influence of oxygen partial pressure on Al 2 O 3 formation is presented. The modelling results indicate pathways for alloy development or possible pre-oxidation surface treatments for improved oxidation resistance of the material

  7. The ternary sorption system U(VI)-phosphate-silica explained by spectroscopy and thermodynamic modelling

    Energy Technology Data Exchange (ETDEWEB)

    Foerstendorf, Harald; Stockmann, Madlen; Heim, Karsten; Mueller, Katharina; Brendler, Vinzenz [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Surface Processes; Comarmond, M.J.; Payne, T.E. [Australian Nuclear Science and Technology Organisation, Lucas Heights (Australia); Steudtner, Robin [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Inst. of Resource Ecology

    2017-06-01

    Spectroscopic data of sorption processes potentially provide direct impact on Surface Complexation Modelling (SCM) approaches. Based on spectroscopic data of the ternary sorption system U(VI)/phosphate/silica strongly suggesting the formation of a precipitate as the predominant surface process, SCM calculations accurately reproduced results from classical batch experiments.

  8. The ternary sorption system U(VI)-phosphate-silica explained by spectroscopy and thermodynamic modelling

    International Nuclear Information System (INIS)

    Foerstendorf, Harald; Stockmann, Madlen; Heim, Karsten; Mueller, Katharina; Brendler, Vinzenz; Steudtner, Robin

    2017-01-01

    Spectroscopic data of sorption processes potentially provide direct impact on Surface Complexation Modelling (SCM) approaches. Based on spectroscopic data of the ternary sorption system U(VI)/phosphate/silica strongly suggesting the formation of a precipitate as the predominant surface process, SCM calculations accurately reproduced results from classical batch experiments.

  9. α-ternary decay of Cf isotopes, statistical model

    International Nuclear Information System (INIS)

    Joseph, Jayesh George; Santhosh, K.P.

    2017-01-01

    The process of splitting a heavier nucleus to three simultaneous fragments is termed as ternary fission and compared to usual binary fission, it is a rare process. Depending on the nature of third particle either it is called light charged particle (LCP) accompanying fission if it is light or true ternary fission if all three fragments have nearly same mass distributions. After experimental observations in early seventies, initially with a slow pace, now theoretical studies in ternary fission has turned to a hot topic in nuclear decay studies especially in past one decade. Mean while various models have been developed, existing being modified and seeking for new with a hope that it can beam a little more light to the profound nature of nuclear interaction. In this study a statistical method, level density formulation, has been employed

  10. Alternative solution model for the ternary carbonate system CaCO3 - MgCO3 - FeCO3 - I. A ternary Bragg-Williams ordering model

    Science.gov (United States)

    McSwiggen, P.L.

    1993-01-01

    The minerals of the ternary carbonate system CaCO3 - MgCO3 - FeCO3 represent a complex series of solid solutions and ordering states. An understanding of those complexities requires a solution model that can both duplicate the subsolidus phase relationships and generate correct values for the activities. Such a solution model must account for the changes in the total energy of the system resulting from a change in the ordering state of the individual constituents. Various ordering models have been applied to binary carbonate systems, but no attempts have previously been made to model the ordering in the ternary system. This study derives a new set of equations that allow for the equilibrium degree of order to be calculated for a system involving three cations mixing on two sites, as in the case of the ternary carbonates. The method is based on the Bragg-Williams approach. From the degree of order, the mole fractions of the three cations in each of the two sites can be determined. Once the site occupancies have been established, a Margules-type mixing model can be used to determine the free energy of mixing in the solid solution and therefore the activities of the various components. ?? 1993 Springer-Verlag.

  11. Ternary fission in an effective liquid drop model

    International Nuclear Information System (INIS)

    Duarte, Sergio B.; Tavares, Odilon A.P.; Dimarco, A.; Goncalves, Marcello; Guzman, Fernando; Trallero-Herrera, Carlos; Rodriguez, Oscar; Garcia, Fermin

    2001-01-01

    Full text follows: The nuclear partition in three fragments has been observed in recent experiments for fission process of 252 Cf and 24 '0 Pu. We apply the Effective Liquid Drop Model (ELDM), successfully used for discussing binary cold fission and cluster emissions for a three center geometric shape parametrization, describing the quasi-molecular deformation which can lead to ternary fragmentation. A preliminary calculation for rates of these processes are performed and the results are compared to the rate of the dominant binary fission process. A large range of parent nuclei (spherical and deformed) is covered in the calculation. The purpose is to point out others possible ternary fission process experimentally measurable. (author)

  12. On the ternary Ag – Cu – Ga system: Electromotive force measurement and thermodynamic modeling

    International Nuclear Information System (INIS)

    Gierlotka, Wojciech; Jendrzejczyk-Handzlik, Dominika; Fitzner, Krzysztof; Handzlik, Piotr

    2015-01-01

    The ternary silver–copper–gallium system found application as a solder material in jewel crafting and electronics, thus a phase diagram of this system seems to be important tool, which is necessary for a proper application of different alloys. The activity of gallium in liquid phase was determined by electromotive measurement technique and after that the equilibrium diagram of Ag – Cu – Ga was modeled based on available experimental data using Calphad approach. A set of Gibbs energies was found and used for calculation a phase diagram and thermodynamic properties of liquid phase. The experimental data was reproduced well by calculation. - Highlights: • For the first time activity of Ga in liquid Ag – Cu – Ga alloys was measured. • For the first time the ternary Ag – Cu – Ga system was thermodynamically modeled. • Modeled Ag – Cu – Ga system reproduces experimental data well

  13. Improving Rice Modeling Success Rate with Ternary Non-structural Fertilizer Response Model.

    Science.gov (United States)

    Li, Juan; Zhang, Mingqing; Chen, Fang; Yao, Baoquan

    2018-06-13

    Fertilizer response modelling is an important technical approach to realize metrological fertilization on rice. With the goal of solving the problems of a low success rate of a ternary quadratic polynomial model (TPFM) and to expand the model's applicability, this paper established a ternary non-structural fertilizer response model (TNFM) based on the experimental results from N, P and K fertilized rice fields. Our research results showed that the TNFM significantly improved the modelling success rate by addressing problems arising from setting the bias and multicollinearity in a TPFM. The results from 88 rice field trials in China indicated that the proportion of typical TNFMs that satisfy the general fertilizer response law of plant nutrition was 40.9%, while the analogous proportion of TPFMs was only 26.1%. The recommended fertilization showed a significant positive linear correlation between the two models, and the parameters N 0 , P 0 and K 0 that estimated the value of soil supplying nutrient equivalents can be used as better indicators of yield potential in plots where no N or P or K fertilizer was applied. The theoretical analysis showed that the new model has a higher fitting accuracy and a wider application range.

  14. A ternary logic model for recurrent neuromime networks with delay.

    Science.gov (United States)

    Hangartner, R D; Cull, P

    1995-07-01

    In contrast to popular recurrent artificial neural network (RANN) models, biological neural networks have unsymmetric structures and incorporate significant delays as a result of axonal propagation. Consequently, biologically inspired neural network models are more accurately described by nonlinear differential-delay equations rather than nonlinear ordinary differential equations (ODEs), and the standard techniques for studying the dynamics of RANNs are wholly inadequate for these models. This paper develops a ternary-logic based method for analyzing these networks. Key to the technique is the realization that a nonzero delay produces a bounded stability region. This result significantly simplifies the construction of sufficient conditions for characterizing the network equilibria. If the network gain is large enough, each equilibrium can be classified as either asymptotically stable or unstable. To illustrate the analysis technique, the swim central pattern generator (CPG) of the sea slug Tritonia diomedea is examined. For wide range of reasonable parameter values, the ternary analysis shows that none of the network equilibria are stable, and thus the network must oscillate. The results show that complex synaptic dynamics are not necessary for pattern generation.

  15. Atomistic approach to predict the glass-forming ability in Zr–Cu–Al ternary metallic glasses

    Energy Technology Data Exchange (ETDEWEB)

    Yu, C.Y. [Center for Advanced Structural Materials, Department of Mechanical and Biomedical Engineering, College of Science and Engineering, City University of Hong Kong, Kowloon, Hong Kong (China); Liu, X.J. [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China); Zheng, G.P. [Department of Mechanical Engineering, The Hong Kong Polytechnic University, Kowloon, Hong Kong (China); Niu, X.R. [Center for Advanced Structural Materials, Department of Mechanical and Biomedical Engineering, College of Science and Engineering, City University of Hong Kong, Kowloon, Hong Kong (China); Liu, C.T., E-mail: chainliu@cityu.edu.hk [Center for Advanced Structural Materials, Department of Mechanical and Biomedical Engineering, College of Science and Engineering, City University of Hong Kong, Kowloon, Hong Kong (China)

    2015-04-05

    Highlights: • An atomistic approach has been developed to predict the glass forming ability (GFA) in Zr–Cu–Al ternary alloy system. • Both of the thermodynamic and structure-dependent kinetic effects to glass formation have been taken into account. • The first-principles calculation and molecular dynamics simulation have been performed. • The approach predicts the best glass former in the model Zr–Cu–Al alloy system. • The predicted GFA is consistent with various experimental results. - Abstract: Prediction of composition-dependent glass-forming ability (GFA) remains to be a key scientific challenge in the metallic-glass community, especially in multi-component alloy systems. In the present study, we apply an atomistic approach to predict the trend of GFA effectively in the Zr–Cu–Al ternary alloy system from alloy compositions alone. This approach is derived from the first-principles calculations based on the density-functional theory and molecular dynamic (MD) simulations. By considering of both the thermodynamic and atomic-structure induced kinetic effects, the predicted GFA trend from this approach shows an excellent agreement with experimental data available in this alloy system, manifesting its capability of seeking metallic glasses with superior GFA in ternary alloy systems.

  16. Modeling adsorption of binary and ternary mixtures on microporous media

    DEFF Research Database (Denmark)

    Monsalvo, Matias Alfonso; Shapiro, Alexander

    2007-01-01

    it possible using the same equation of state to describe the thermodynamic properties of the segregated and the bulk phases. For comparison, we also used the ideal adsorbed solution theory (IAST) to describe adsorption equilibria. The main advantage of these two models is their capabilities to predict......The goal of this work is to analyze the adsorption of binary and ternary mixtures on the basis of the multicomponent potential theory of adsorption (MPTA). In the MPTA, the adsorbate is considered as a segregated mixture in the external potential field emitted by the solid adsorbent. This makes...... multicomponent adsorption equilibria on the basis of single-component adsorption data. We compare the MPTA and IAST models to a large set of experimental data, obtaining reasonable good agreement with experimental data and high degree of predictability. Some limitations of both models are also discussed....

  17. Thermodynamic modeling of the Ti-Al-Cr ternary system

    International Nuclear Information System (INIS)

    Chen Leyi; Qiu Aitao; Liu Lanjie; Jiang Ming; Lu Xionggang; Li Chonghe

    2011-01-01

    Research highlights: → The full experimental results of the Ti-Al-Cr ternary system and its sub-binary systems are reviewed and analysed in detail. → Based on the latest thermodynamic assessments of the Ti-Al, Ti-Cr and Al-Cr systems and the ternary experimental data in literature, the thermodynamic parameters of the Ti-Al-Cr ternary system are fully assessed by the Calphad method. → The transformation of disorder to order (bcc a 2 to B2) and the new ternary compound L 12T i 25 Cr 8 Al 67 are considered in this work. - Abstract: The Ti-Al-Cr ternary system is one of the most important systems to studying the titanium alloys. Some experimental data of this ternary system are available and a few partial thermodynamic assessments are reported. However, no full thermodynamic descriptions were published. In this study, the previous work on the Ti-Al-Cr system and its related binary systems are reviewed. Based on the thermodynamic descriptions of the Ti-Al, Ti-Cr and Al-Cr systems and the ternary experimental data in literature, the Ti-Al-Cr ternary system is assessed by means of the Calphad method. Several isothermal sections from 1073 K to 1573 K and some invariant reactions are calculated, which are in good agreement with the most of the experimental results.

  18. Quantitative Comparison of Ternary Eutectic Phase-Field Simulations with Analytical 3D Jackson-Hunt Approaches

    Science.gov (United States)

    Steinmetz, Philipp; Kellner, Michael; Hötzer, Johannes; Nestler, Britta

    2018-02-01

    For the analytical description of the relationship between undercoolings, lamellar spacings and growth velocities during the directional solidification of ternary eutectics in 2D and 3D, different extensions based on the theory of Jackson and Hunt are reported in the literature. Besides analytical approaches, the phase-field method has been established to study the spatially complex microstructure evolution during the solidification of eutectic alloys. The understanding of the fundamental mechanisms controlling the morphology development in multiphase, multicomponent systems is of high interest. For this purpose, a comparison is made between the analytical extensions and three-dimensional phase-field simulations of directional solidification in an ideal ternary eutectic system. Based on the observed accordance in two-dimensional validation cases, the experimentally reported, inherently three-dimensional chain-like pattern is investigated in extensive simulation studies. The results are quantitatively compared with the analytical results reported in the literature, and with a newly derived approach which uses equal undercoolings. A good accordance of the undercooling-spacing characteristics between simulations and the analytical Jackson-Hunt apporaches are found. The results show that the applied phase-field model, which is based on the Grand potential approach, is able to describe the analytically predicted relationship between the undercooling and the lamellar arrangements during the directional solidification of a ternary eutectic system in 3D.

  19. Modelling of volumetric properties of binary and ternary mixtures by CEOS, CEOS/GE and empirical models

    Directory of Open Access Journals (Sweden)

    BOJAN D. DJORDJEVIC

    2007-12-01

    Full Text Available Although many cubic equations of state coupled with van der Waals-one fluid mixing rules including temperature dependent interaction parameters are sufficient for representing phase equilibria and excess properties (excess molar enthalpy HE, excess molar volume VE, etc., difficulties appear in the correlation and prediction of thermodynamic properties of complex mixtures at various temperature and pressure ranges. Great progress has been made by a new approach based on CEOS/GE models. This paper reviews the last six-year of progress achieved in modelling of the volumetric properties for complex binary and ternary systems of non-electrolytes by the CEOS and CEOS/GE approaches. In addition, the vdW1 and TCBT models were used to estimate the excess molar volume VE of ternary systems methanol + chloroform + benzene and 1-propanol + chloroform + benzene, as well as the corresponding binaries methanol + chloroform, chloroform + benzene, 1-propanol + chloroform and 1-propanol + benzene at 288.15–313.15 K and atmospheric pressure. Also, prediction of VE for both ternaries by empirical models (Radojković, Kohler, Jackob–Fitzner, Colinet, Tsao–Smith, Toop, Scatchard, Rastogi was performed.

  20. A new model for predicting thermodynamic properties of ternary metallic solution from binary components

    International Nuclear Information System (INIS)

    Fang Zheng; Zhang Quanru

    2006-01-01

    A model has been derived to predict thermodynamic properties of ternary metallic systems from those of its three binaries. In the model, the excess Gibbs free energies and the interaction parameter ω 123 for three components of a ternary are expressed as a simple sum of those of the three sub-binaries, and the mole fractions of the components of the ternary are identical with the sub-binaries. This model is greatly simplified compared with the current symmetrical and asymmetrical models. It is able to overcome some shortcomings of the current models, such as the arrangement of the components in the Gibbs triangle, the conversion of mole fractions between ternary and corresponding binaries, and some necessary processes for optimizing the various parameters of these models. Two ternary systems, Mg-Cu-Ni and Cd-Bi-Pb are recalculated to demonstrate the validity and precision of the present model. The calculated results on the Mg-Cu-Ni system are better than those in the literature. New parameters in the Margules equations expressing the excess Gibbs free energies of three binary systems of the Cd-Bi-Pb ternary system are also given

  1. An evaporation-based model of thermal neutron induced ternary fission of plutonium

    International Nuclear Information System (INIS)

    Lestone, J.P.

    2008-01-01

    Ternary fission probabilities for thermal neutron induced fission of plutonium are analyzed within the framework of an evaporation-based model where the complexity of time-varying potentials, associated with the neck collapse, are included in a simplistic fashion. If the nuclear temperature at scission and the fission-neck-collapse time are assumed to be ~ 1.2 MeV and ~ 10 -22 s, respectively, then calculated relative probabilities of ternary-fission light-charged-particle emission follow the trends seen in the experimental data. The ability of this model to reproduce ternary fission probabilities spanning seven orders of magnitude for a wide range of light-particle charges and masses implies that ternary fission is caused by the coupling of an evaporation-like process with the rapid re-arrangement of the nuclear fluid following scission. (author)

  2. Model for competitive binary and ternary ion-molecule reactions

    International Nuclear Information System (INIS)

    Herbst, E.

    1985-01-01

    A mechanism by which competitive binary and ternary ion-molecule reactions can occur is proposed. Calculations are undertaken for the specific system CH3(+) + NH3 + He which has been studied in the laboratory by Smith and Adams (1978), and the potential surface of which has been studied theoretically by Nobes and Radom (1983). It is shown that a potential-energy barrier in the exit channel prevents the rapid dissociation of collision complexes with large amounts of angular momentum and thereby allows collisional stabilization of the complexes. The calculated ternary-reaction rate coefficient is in good agreement with the experimental value, but a plot of the effective two-body rate coefficient of the ternary channel vs helium density does not quite show the observed saturation. 21 references

  3. A metallic solution model with adjustable parameter for describing ternary thermodynamic properties from its binary constituents

    International Nuclear Information System (INIS)

    Fang Zheng; Qiu Guanzhou

    2007-01-01

    A metallic solution model with adjustable parameter k has been developed to predict thermodynamic properties of ternary systems from those of its constituent three binaries. In the present model, the excess Gibbs free energy for a ternary mixture is expressed as a weighted probability sum of those of binaries and the k value is determined based on an assumption that the ternary interaction generally strengthens the mixing effects for metallic solutions with weak interaction, making the Gibbs free energy of mixing of the ternary system more negative than that before considering the interaction. This point is never considered in the models currently reported, where the only difference in a geometrical definition of molar values of components is considered that do not involve thermodynamic principles but are completely empirical. The current model describes the results of experiments very well, and by adjusting the k value also agrees with those from models used widely in the literature. Three ternary systems, Mg-Cu-Ni, Zn-In-Cd, and Cd-Bi-Pb are recalculated to demonstrate the method of determining k and the precision of the model. The results of the calculations, especially those in Mg-Cu-Ni system, are better than those predicted by the current models in the literature

  4. Ternary fission

    International Nuclear Information System (INIS)

    Wagemans, C.

    1991-01-01

    Since its discovery in 1946, light (charged) particle accompanied fission (ternary fission) has been extensively studied, for spontaneous as well as for induced fission reactions. The reason for this interest was twofold: the ternary particles being emitted in space and time close to the scission point were expected to supply information on the scission point configuration and the ternary fission process was an important source of helium, tritium, and hydrogen production in nuclear reactors, for which data were requested by the nuclear industry. Significant experimental progress has been realized with the advent of high-resolution detectors, powerful multiparameter data acquisition systems, and intense neutron and photon beams. As far as theory is concerned, the trajectory calculations (in which scission point parameters are deduced from the experimental observations) have been very much improved. An attempt was made to explain ternary particle emission in terms of a Plateau-Rayleigh hydrodynamical instability of a relatively long cylindrical neck or cylindrical nucleus. New results have also been obtained on the so-called open-quotes trueclose quotes ternary fission (fission in three about-equal fragments). The spontaneous emission of charged particles has also clearly been demonstrated in recent years. This chapter discusses the main characteristics of ternary fission, theoretical models, light particle emission probabilities, the dependence of the emission probabilities on experimental variables, light particle energy distributions, light particle angular distributions, correlations between light particle accompanied fission observables, open-quotes trueclose quotes ternary fission, and spontaneous emission of heavy ions. 143 refs., 18 figs., 8 tabs

  5. Ternary-fragmentation-driving potential energies of 252Cf

    Science.gov (United States)

    Karthikraj, C.; Ren, Zhongzhou

    2017-12-01

    Within the framework of a simple macroscopic model, the ternary-fragmentation-driving potential energies of 252Cf are studied. In this work, all possible ternary-fragment combinations of 252Cf are generated by the use of atomic mass evaluation-2016 (AME2016) data and these combinations are minimized by using a two-dimensional minimization approach. This minimization process can be done in two ways: (i) with respect to proton numbers (Z1, Z2, Z3) and (ii) with respect to neutron numbers (N1, N2, N3) of the ternary fragments. In this paper, the driving potential energies for the ternary breakup of 252Cf are presented for both the spherical and deformed as well as the proton-minimized and neutron-minimized ternary fragments. From the proton-minimized spherical ternary fragments, we have obtained different possible ternary configurations with a minimum driving potential, in particular, the experimental expectation of Sn + Ni + Ca ternary fragmentation. However, the neutron-minimized ternary fragments exhibit a driving potential minimum in the true-ternary-fission (TTF) region as well. Further, the Q -value energy systematics of the neutron-minimized ternary fragments show larger values for the TTF fragments. From this, we have concluded that the TTF region fragments with the least driving potential and high Q values have a strong possibility in the ternary fragmentation of 252Cf. Further, the role of ground-state deformations (β2, β3, β4, and β6) in the ternary breakup of 252Cf is also studied. The deformed ternary fragmentation, which involves Z3=12 -19 fragments, possesses the driving potential minimum due to the larger oblate deformations. We also found that the ground-state deformations, particularly β2, strongly influence the driving potential energies and play a major role in determining the most probable fragment combinations in the ternary breakup of 252Cf.

  6. Miedema model based methodology to predict amorphous-forming-composition range in binary and ternary systems

    Energy Technology Data Exchange (ETDEWEB)

    Das, N., E-mail: nirupamd@barc.gov.in [Materials Science Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Mittra, J. [Materials Science Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Murty, B.S. [Department of Metallurgical and Materials Engineering, IIT Madras, Chennai 600 036 (India); Pabi, S.K. [Department of Metallurgical and Materials Engineering, IIT Kharagpur, Kharagpur 721 302 (India); Kulkarni, U.D.; Dey, G.K. [Materials Science Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India)

    2013-02-15

    Highlights: Black-Right-Pointing-Pointer A methodology was proposed to predict amorphous forming compositions (AFCs). Black-Right-Pointing-Pointer Chemical contribution to enthalpy of mixing {proportional_to} enthalpy of amorphous for AFCs. Black-Right-Pointing-Pointer Accuracy in the prediction of AFC-range was noticed in Al-Ni-Ti system. Black-Right-Pointing-Pointer Mechanical alloying (MA) results of Al-Ni-Ti followed the predicted AFC-range. Black-Right-Pointing-Pointer Earlier MA results of Al-Ni-Ti also conformed to the predicted AFC-range. - Abstract: From the earlier works on the prediction of amorphous forming composition range (AFCR) using Miedema based model and also, on mechanical alloying experiments it has been observed that all amorphous forming compositions of a given alloy system falls within a linear band when the chemical contribution to enthalpy of the solid solution ({Delta}H{sup ss}) is plotted against the enthalpy of mixing in the amorphous phase ({Delta}H{sup amor}). On the basis of this observation, a methodology has been proposed in this article to identify the AFCR of a ternary system that is likely to be more precise than what can be obtained using {Delta}H{sup amor} - {Delta}H{sup ss} < 0 criterion. MA experiments on various compositions of Al-Ni-Ti system, producing amorphous, crystalline, and mixture of amorphous plus crystalline phases have been carried out and the phases have been characterized using X-ray diffraction and transmission electron microscopy techniques. Data from the present MA experiments and, also, from the literature have been used to validate the proposed approach. Also, the proximity of compositions, producing a mixture of amorphous and crystalline phases to the boundary of AFCR in the Al-Ni-Ti ternary has been found useful to validate the effectiveness of the prediction.

  7. Efficient Approach for Improving the Performance of Nonhalogenated Green Solvent-Processed Polymer Solar Cells via Ternary-Blend Strategy.

    Science.gov (United States)

    Kranthiraja, Kakaraparthi; Aryal, Um Kanta; Sree, Vijaya Gopalan; Gunasekar, Kumarasamy; Lee, Changyeon; Kim, Minseok; Kim, Bumjoon J; Song, Myungkwan; Jin, Sung-Ho

    2018-04-10

    The ternary-blend approach has the potential to enhance the power conversion efficiencies (PCEs) of polymer solar cells (PSCs) by providing complementary absorption and efficient charge generation. Unfortunately, most PSCs are processed with toxic halogenated solvents, which are harmful to human health and the environment. Herein, we report the addition of a nonfullerene electron acceptor 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3- d:2',3'- d']- s-indaceno[1,2- b:5,6- b']dithiophene (ITIC) to a binary blend (poly[4,8-bis(2-(4-(2-ethylhexyloxy)3-fluorophenyl)-5-thienyl)benzo[1,2- b:4,5- b']dithiophene- alt-1,3-bis(4-octylthien-2-yl)-5-(2-ethylhexyl)thieno[3,4- c]pyrrole-4,6-dione] (P1):[6,6]-phenyl-C 71 -butyric acid methyl ester (PC 71 BM), PCE = 8.07%) to produce an efficient nonhalogenated green solvent-processed ternary PSC system with a high PCE of 10.11%. The estimated wetting coefficient value (0.086) for the ternary blend suggests that ITIC could be located at the P1:PC 71 BM interface, resulting in efficient charge generation and charge transport. In addition, the improved current density, sustained open-circuit voltage and PCE of the optimized ternary PSCs were highly correlated with their better external quantum efficiency response and flat-band potential value obtained from the Mott-Schottky analysis. In addition, the ternary PSCs also showed excellent ambient stability over 720 h. Therefore, our results demonstrate the combination of fullerene and nonfullerene acceptors in ternary blend as an efficient approach to improve the performance of eco-friendly solvent-processed PSCs with long-term stability.

  8. An evaluation of three-dimensional modeling of compaction cycles by analyzing the densification behavior of binary and ternary mixtures.

    Science.gov (United States)

    Picker, K M; Bikane, F

    2001-08-01

    The aim of the study is to use the 3D modeling technique of compaction cycles for analysis of binary and ternary mixtures. Three materials with very different deformation and densification characteristics [cellulose acetate (CAC), dicalcium phosphate dihydrate (EM) and theophylline monohydrate (TM)] have been tableted at graded maximum relative densities (rhorel, max) on an eccentric tableting machine. Following that, graded binary mixtures from CAC and EM have been compacted. Finally, the same ratios of CAC and EM have been tableted in a ternary mixture with 20 vol% TM. All compaction cycles have been analyzed by using different data analysis methods. Three-dimensional modeling, conventional determination of the slope of the Heckel function, determination of the elastic recovery during decompression, and calculations according to the pressure-time function were the methods of choice. The results show that the 3D model technique is able to gain the information in one step instead of three different approaches, which is an advantage for formulation development. The results show that this model enables one to better distinguish the compaction properties of mixtures and the interaction of the components in the tablet than 2D models. Furthermore, the information by 3D modeling is more precise since in the slope K of the Heckel-plot (in die) elasticity is included, and in the parameters of the pressure-time function beta and gamma plastic deformation due to pressure is included. The influence of time and pressure on the displacement can now be differentiated.

  9. Thermodynamic and topological instability approaches for forecasting glass-forming ability in the ternary Al-Ni-Y system

    International Nuclear Information System (INIS)

    Oliveira, M.F. de; Aliaga, L.C.R.; Bolfarini, C.; Botta, W.J.; Kiminami, C.S.

    2008-01-01

    A thermodynamic approach to predict bulk glass-forming compositions in binary metallic systems was recently proposed. In this approach, the parameter γ* = ΔH amor /(ΔH inter - ΔH amor ) indicates the glass-forming ability (GFA) from the standpoint of the driving force to form different competing phases, and ΔH amor and ΔH inter are the enthalpies for glass and intermetallic formation, respectively. Good glass-forming compositions should have a large negative enthalpy for glass formation and a very small difference for intermetallic formation, thus making the glassy phase easily reachable even under low cooling rates. The γ* parameter showed a good correlation with GFA experimental data in the Ni-Nb binary system. In this work, a simple extension of the γ* parameter is applied in the ternary Al-Ni-Y system. The calculated γ* isocontours in the ternary diagram are compared with experimental results of glass formation in that system. Despite some misfitting, the best glass formers are found quite close to the highest γ* values, leading to the conclusion that this thermodynamic approach can be extended to ternary systems, serving as a useful tool for the development of new glass-forming compositions. Finally the thermodynamic approach is compared with the topological instability criteria used to predict the thermal behavior of glassy Al alloys

  10. Glass forming ability: Miedema approach to (Zr, Ti, Hf)-(Cu, Ni) binary and ternary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Basu, Joysurya [Department of Chemical, Materials and Biomolecular Engineering, 191 Auditorium Road, University of Connecticut, Storrs 06269, CT (United States)], E-mail: jbasu@engr.uconn.edu; Murty, B.S. [Department of Metallurgical and Materials Engineering, Indian Institute of Technology Madras, Chennai 600036 (India); Ranganathan, S. [Department of Materials Engineering, Indian Institute of Science, Bangalore 560012 (India)

    2008-10-06

    Miedema's approach has been useful in determining the glass forming composition range for a particular alloy system. The concept of mixing enthalpy and mismatch entropy can be used in order to quantify Inoue's criteria of bulk metallic glass formation. In the present study, glass forming composition range has been determined for different binary and ternary (Zr, Ti, Hf)-(Cu, Ni) alloys based on the mixing enthalpy and mismatch entropy calculations. Though copper and nickel appear next to each other in the periodic table, the glass forming ability of the copper and nickel bearing alloys is different. Thermodynamic analysis reveals that the glass forming behaviour of Zr and Hf is similar, whereas it is different from that of Ti. The smaller atomic size of Ti and the difference in the heat of mixing of Ti, Zr, Hf with Cu and Ni leads to the observed changes in the glass forming behaviour. Enthalpy contour plots can be used to distinguish the glass forming compositions on the basis of the increasing negative enthalpy of the composition. This method reveals the high glass forming ability of binary Zr-Cu, Hf-Cu, Hf-Ni systems over a narrow composition range.

  11. Ternary superconductors

    International Nuclear Information System (INIS)

    Giorgi, A.L.

    1987-01-01

    Ternary superconductors constitute a class of superconducting compounds with exceptional properties such as high transition temperatures (≅ 15.2 K), extremely high critical fields (H c2 >60 Tesla), and the coexistence of superconductivity and long-range magnetic order. This has generated great interest in the scientific community and resulted in a large number of experimental and theoretical investigations in which many new ternary compounds have been discovered. A review of some of the properties of these ternary compounds is presented with particular emphasis on the ternary molybdenum chalcogenides and the ternary rare earth transition metal tetraborides. The effect of partial substitution of a second metal atom to form pseudoternary compounds is examined as well as some of the proposed correlations between the superconducting transition temperature and the structural and electronic properties of the ternary superconductors

  12. Ternary fission

    Indian Academy of Sciences (India)

    the energy minimization of all possible ternary breakups of a heavy radioactive nucleus. Further, within the TCM we have analysed the competition between different geometries as well as different positioning of the fragments. Also, an attempt was made to calculate the mass distribution of ternary fission process within the ...

  13. Application of Differential Colorimetry To Evaluate Anthocyanin-Flavonol-Flavanol Ternary Copigmentation Interactions in Model Solutions.

    Science.gov (United States)

    Gordillo, Belén; Rodríguez-Pulido, Francisco J; González-Miret, M Lourdes; Quijada-Morín, Natalia; Rivas-Gonzalo, Julián C; García-Estévez, Ignacio; Heredia, Francisco J; Escribano-Bailón, M Teresa

    2015-09-09

    The combined effect of anthocyanin-flavanol-flavonol ternary interactions on the colorimetric and chemical stability of malvidin-3-glucoside has been studied. Model solutions with fixed malvidin-3-glucoside/(+)-catechin ratio (MC) and variable quercetin-3-β-d-glucoside concentration (MC+Q) and solutions with fixed malvidin-3-glucoside/quercetin-3-β-d-glucoside ratio (MQ) and variable (+)-catechin concentration (MQ+C) were tested at levels closer to those existing in wines. Color variations during storage were evaluated by differential colorimetry. Changes in the anthocyanin concentration were monitored by HPLC-DAD. CIELAB color-difference formulas were demonstrated to be of practical interest to assess the stronger and more stable interaction of quercetin-3-β-d-glucoside with MC binary mixture than (+)-catechin with MQ mixture. The results imply that MC+Q ternary solutions kept their intensity and bluish tonalities for a longer time in comparison to MQ+C solutions. The stability of malvidin-3-glucoside improves when the concentration of quercetin-3-β-d-glucoside increases in MC+Q mixtures, whereas the addition of (+)-catechin in MQ+C mixtures resulted in an opposite effect.

  14. Determination and modeling of binary and ternary solid-liquid phase equilibrium for the systems formed by 3,5-dinitrobenzoic acid, m-nitrobenzoic acid and acetone

    International Nuclear Information System (INIS)

    Li, Xinbao; Du, Cunbin; Zhao, Hongkun

    2017-01-01

    Highlights: • The solubility of 3,5-dinitrobenzoic acid in acetone was determined. • Solubility of m-nitrobenzoic acid + 3,5-dinitrobenzoic acid + acetone was determined. • Three ternary phase diagrams were constructed for the ternary system. • The ternary phase diagrams were calculated by Wilson model and NRTL model. - Abstract: The solubility of 3,5-dinitrobenzoic acid in acetone at the temperatures ranging from (283.15 to 318.15) K and the mutual solubility of the ternary m-nitrobenzoic acid + 3,5-dinitrobenzoic acid + acetone system at (283.15, 298.15 and 313.15) K were determined experimentally by using the isothermal saturation method under atmosphere pressure (101.2 kPa). Three isothermal ternary phase diagrams were constructed according to the measured mutual solubility data. In each ternary phase diagram, there was one co-saturated point, two boundary curves, and three crystalline regions. The modified Apelblat equation, λh equation, NRTL model and Wilson model were used to correlate the solubility of 3,5-dinitrobenzoic acid in acetone; and the NRTL and Wilson models, the mutual solubility for the ternary m-nitrobenzoic acid + 3,5-dinitrobenzoic acid + acetone system. The value of root-mean-square deviation (RMSD) was 8.53 × 10 −4 for the binary system of 3,5-dinitrobenzoic acid + acetone; and the largest value of RMSD was 81.08 × 10 −4 for the ternary system.

  15. Modelling radiation-induced phase changes in binary FeCu and ternary FeCuNi alloys using an artificial intelligence-based atomistic kinetic Monte Carlo approach

    International Nuclear Information System (INIS)

    Castin, N.; Malerba, L.; Bonny, G.; Pascuet, M.I.; Hou, M.

    2009-01-01

    We apply a novel atomistic kinetic Monte Carlo model, which includes local chemistry and relaxation effects when assessing the migration energy barriers of point defects, to the study of the microchemical evolution driven by vacancy diffusion in FeCu and FeCuNi alloys. These alloys are of importance for nuclear applications because Cu precipitation, enhanced by the presence of Ni, is one of the main causes of hardening and embrittlement in reactor pressure vessel steels used in existing nuclear power plants. Local chemistry and relaxation effects are introduced using artificial intelligence techniques, namely a conveniently trained artificial neural network, to calculate the migration energy barriers of vacancies as functions of the local atomic configuration. We prove, through a number of results, that the use of the neural network is fully equivalent to calculating the migration energy barriers on-the-fly, using computationally expensive methods such as nudged elastic bands with an interatomic potential. The use of the neural network makes the computational cost affordable, so that simulations of the same type as those hitherto carried out using heuristic formulas for the assessment of the energy barriers can now be performed, at the same computational cost, using more rigorously calculated barriers. This method opens the way to properly treating more complex problems, such as the case of self-interstitial cluster formation, in an atomistic kinetic Monte Carlo framework.

  16. Modelling radiation-induced phase changes in binary FeCu and ternary FeCuNi alloys using an artificial intelligence-based atomistic kinetic Monte Carlo approach

    Science.gov (United States)

    Castin, N.; Malerba, L.; Bonny, G.; Pascuet, M. I.; Hou, M.

    2009-09-01

    We apply a novel atomistic kinetic Monte Carlo model, which includes local chemistry and relaxation effects when assessing the migration energy barriers of point defects, to the study of the microchemical evolution driven by vacancy diffusion in FeCu and FeCuNi alloys. These alloys are of importance for nuclear applications because Cu precipitation, enhanced by the presence of Ni, is one of the main causes of hardening and embrittlement in reactor pressure vessel steels used in existing nuclear power plants. Local chemistry and relaxation effects are introduced using artificial intelligence techniques, namely a conveniently trained artificial neural network, to calculate the migration energy barriers of vacancies as functions of the local atomic configuration. We prove, through a number of results, that the use of the neural network is fully equivalent to calculating the migration energy barriers on-the-fly, using computationally expensive methods such as nudged elastic bands with an interatomic potential. The use of the neural network makes the computational cost affordable, so that simulations of the same type as those hitherto carried out using heuristic formulas for the assessment of the energy barriers can now be performed, at the same computational cost, using more rigorously calculated barriers. This method opens the way to properly treating more complex problems, such as the case of self-interstitial cluster formation, in an atomistic kinetic Monte Carlo framework.

  17. Modelling radiation-induced phase changes in binary FeCu and ternary FeCuNi alloys using an artificial intelligence-based atomistic kinetic Monte Carlo approach

    Energy Technology Data Exchange (ETDEWEB)

    Castin, N. [Structural Materials Group, Nuclear Materials Science Institute, Kernenergie Centre d' Etude de l' Energie Nucleaire (SCK CEN), Studiecentrum voor, Boeretang 200, 2400 Mol (Belgium); Physique des Solides Irradies et des Nanostructures (PSIN), Universite Libre de Bruxelles (ULB), Boulevard du Triomphe CP234, 1050 Brussels (Belgium); Malerba, L. [Structural Materials Group, Nuclear Materials Science Institute, Kernenergie Centre d' Etude de l' Energie Nucleaire (SCK CEN), Studiecentrum voor, Boeretang 200, 2400 Mol (Belgium)], E-mail: lmalerba@sckcen.be; Bonny, G. [Structural Materials Group, Nuclear Materials Science Institute, Kernenergie Centre d' Etude de l' Energie Nucleaire (SCK CEN), Studiecentrum voor, Boeretang 200, 2400 Mol (Belgium); Laboratory of Theoretical Physics, Universiteit Gent, Proeftuinstraat 86, B-9000 Gent (Belgium); Pascuet, M.I. [Structural Materials Group, Nuclear Materials Science Institute, Kernenergie Centre d' Etude de l' Energie Nucleaire (SCK CEN), Studiecentrum voor, Boeretang 200, 2400 Mol (Belgium); CAC-CNEA, Departamento de Materiales, Avda. Gral. Paz 1499, 1650 San Martin, Pcia. Buenos Aires (Argentina); CONICET, Avda. Rivadavia 1917, 1033 Buenos Aires (Argentina); Hou, M. [Physique des Solides Irradies et des Nanostructures (PSIN), Universite Libre de Bruxelles (ULB), Boulevard du Triomphe CP234, 1050 Brussels (Belgium)

    2009-09-15

    We apply a novel atomistic kinetic Monte Carlo model, which includes local chemistry and relaxation effects when assessing the migration energy barriers of point defects, to the study of the microchemical evolution driven by vacancy diffusion in FeCu and FeCuNi alloys. These alloys are of importance for nuclear applications because Cu precipitation, enhanced by the presence of Ni, is one of the main causes of hardening and embrittlement in reactor pressure vessel steels used in existing nuclear power plants. Local chemistry and relaxation effects are introduced using artificial intelligence techniques, namely a conveniently trained artificial neural network, to calculate the migration energy barriers of vacancies as functions of the local atomic configuration. We prove, through a number of results, that the use of the neural network is fully equivalent to calculating the migration energy barriers on-the-fly, using computationally expensive methods such as nudged elastic bands with an interatomic potential. The use of the neural network makes the computational cost affordable, so that simulations of the same type as those hitherto carried out using heuristic formulas for the assessment of the energy barriers can now be performed, at the same computational cost, using more rigorously calculated barriers. This method opens the way to properly treating more complex problems, such as the case of self-interstitial cluster formation, in an atomistic kinetic Monte Carlo framework.

  18. Efficient Bisphenol-A detection based on the ternary metal oxide (TMO) composite by electrochemical approaches

    International Nuclear Information System (INIS)

    Ahmed, Jahir; Rahman, Mohammed M.; Siddiquey, Iqbal A.; Asiri, Abdullah M.; Hasnat, Mohammad A.

    2017-01-01

    Highlights: •Ternary metal oxides (TMO) composites prepared by wet-chemical method. •Highly sensitive and selective Bisphenol A (BPA) sensor by I–V method. •Ultra-low detection limit was obtained by 3N/S. •Real environmental samples were analyzed. •Health care and environmental safety -- Abstract: A facile wet chemical method in basic medium was used to synthesis the ternary metal oxides (TMO; ZnO.CoO.FeO) composites at low temperature. The calcined TMO was characterized by FESEM, EDS, UV/vis., FTIR spectroscopy, EIS, and XRD systematically. Glassy carbon electrode (GCE) was modified with the TMO using 5% Nafion at room conditions. The resultant electrode was used for selective detection of Bisphenol-A (BPA) using cyclic voltammetry (CV). It was observed that the TMO electrode exhibited an excellent sensitivity (3.28 μAμM −1 cm −2 ), low detection limit (LOD: 1.2 ± 0.1 nM; S/N = 3), higher stability, very good repeatability, and reproducibility. In diagnostic exploration, a linear calibration plot was obtained for a wide range of concentration of BPA (LDR: 0.80 to 7.20 μM; r 2 : 0.99). This method represents an efficient way of sensitive sensor development for the detection of toxic and carcinogenic phenolic compounds.

  19. Thermal and magnetic properties of ternary mixed Ising nanoparticles with core–shell structure: Effective-field theory approach

    International Nuclear Information System (INIS)

    Kantar, Ersin; Keskin, Mustafa

    2014-01-01

    We propose a ternary Ising spins (1/2, 1, 3/2) model to investigate the thermal and magnetic properties of magnetic nanoparticles with core–shell structure within the framework of the effective-field theory with correlations. The center site of the core is occupied by σ=±1/2 spin, while those surrounding the center site are occupied by S=±1, 0 spins and the shell sites are occupied by m=±1/2,±3/2 spins. Thermal behaviors of the core and shell magnetizations, susceptibilities and internal energies as well as total magnetization are examined. In order to confirm the stability of the solutions we also investigate the free energy of the system. According to the values of Hamiltonian parameters, the system undergoes first- and second-order phase transitions. Phase diagrams are calculated and discussed in detail. We find that the system exhibits a tricritical point, reentrant and five different type (Q, P, R, S and W) of compensation behaviors that strongly depend on interaction parameters. The results are in good agreement with some experimental and theoretical results. - Highlights: • Thermal and magnetic properties of ternary Ising nanoparticles are studied. • Phase diagrams within the EFT with correlations are calculated and discussed. • The effects of the exchange interactions and crystal field have been studied. • Reentrant phenomena and compensation behaviors have been found

  20. Thermal and magnetic properties of ternary mixed Ising nanoparticles with core–shell structure: Effective-field theory approach

    Energy Technology Data Exchange (ETDEWEB)

    Kantar, Ersin [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Institute of Science, Erciyes University, 38039 Kayseri (Turkey); Keskin, Mustafa, E-mail: keskin@erciyes.edu.tr [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

    2014-01-15

    We propose a ternary Ising spins (1/2, 1, 3/2) model to investigate the thermal and magnetic properties of magnetic nanoparticles with core–shell structure within the framework of the effective-field theory with correlations. The center site of the core is occupied by σ=±1/2 spin, while those surrounding the center site are occupied by S=±1, 0 spins and the shell sites are occupied by m=±1/2,±3/2 spins. Thermal behaviors of the core and shell magnetizations, susceptibilities and internal energies as well as total magnetization are examined. In order to confirm the stability of the solutions we also investigate the free energy of the system. According to the values of Hamiltonian parameters, the system undergoes first- and second-order phase transitions. Phase diagrams are calculated and discussed in detail. We find that the system exhibits a tricritical point, reentrant and five different type (Q, P, R, S and W) of compensation behaviors that strongly depend on interaction parameters. The results are in good agreement with some experimental and theoretical results. - Highlights: • Thermal and magnetic properties of ternary Ising nanoparticles are studied. • Phase diagrams within the EFT with correlations are calculated and discussed. • The effects of the exchange interactions and crystal field have been studied. • Reentrant phenomena and compensation behaviors have been found.

  1. Modeling diffusion-governed solidification of ternary alloys - Part 2: Macroscopic transport phenomena and macrosegregation.

    Science.gov (United States)

    Wu, M; Li, J; Ludwig, A; Kharicha, A

    2014-09-01

    Part 1 of this two-part investigation presented a multiphase solidification model incorporating the finite diffusion kinetics and ternary phase diagram with the macroscopic transport phenomena (Wu et al., 2013). In Part 2, the importance of proper treatment of the finite diffusion kinetics in the calculation of macrosegregation is addressed. Calculations for a two-dimensional (2D) square casting (50 × 50 mm 2 ) of Fe-0.45 wt.%C-1.06 wt.%Mn considering thermo-solutal convection and crystal sedimentation are performed. The modeling result indicates that the infinite liquid mixing kinetics as assumed by classical models (e.g., the Gulliver-Scheil or lever rule), which cannot properly consider the solute enrichment of the interdendritic or inter-granular melt at the early stage of solidification, might lead to an erroneous estimation of the macrosegregation. To confirm this statement, further theoretical and experimental evaluations are desired. The pattern and intensity of the flow and crystal sedimentation are dependent on the crystal morphologies (columnar or equiaxed); hence, the potential error of the calculated macrosegregation caused by the assumed growth kinetics depends on the crystal morphology. Finally, an illustrative simulation of an engineering 2.45-ton steel ingot is performed, and the results are compared with experimental results. This example demonstrates the model applicability for engineering castings regarding both the calculation efficiency and functionality.

  2. Predictive thermodynamic models for liquid--liquid extraction of single, binary and ternary lanthanides and actinides

    International Nuclear Information System (INIS)

    Hoh, Y.C.

    1977-03-01

    Chemically based thermodynamic models to predict the distribution coefficients and the separation factors for the liquid--liquid extraction of lanthanides-organophosphorus compounds were developed by assuming that the quotient of the activity coefficients of each species varies slightly with its concentrations, by using aqueous lanthanide or actinide complexes stoichiometric stability constants expressed as its degrees of formation, by making use of the extraction mechanism and the equilibrium constant for the extraction reaction. For a single component system, the thermodynamic model equations which predict the distribution coefficients, are dependent on the free organic concentration, the equilibrated ligand and hydrogen ion concentrations, the degree of formation, and on the extraction mechanism. For a binary component system, the thermodynamic model equation which predicts the separation factors is the same for all cases. This model equation is dependent on the degrees of formation of each species in their binary system and can be used in a ternary component system to predict the separation factors for the solutes relative to each other

  3. Ternary systems

    International Nuclear Information System (INIS)

    Kagan, D.N.; Hubberstey, P.; Barker, M.G.

    1985-01-01

    The paper reviews the experimental and theoretical studies carried out on multicomponent alkali metal systems. Solid-liquid phase equilibria studies are mainly concerned with the systems Na-K-Rb and Na-K-Cs, and data on the liquidus temperatures in these systems are presented. The thermodynamic properties of the ternary Na-K-Cs eutectic system have been determined experimentally, and the enthalpy, heat capacity and excess functions of the alloy are given. An analysis of calculational methods used in determining thermodynamic functions of ternary liquid metals systems is described. Finally, data are tabulated for the density, compressibility, saturated vapour pressure, viscosity and thermal conductivity of the ternary Na-K-Cs eutectic system. (UK)

  4. Thermodynamic modeling of ternary and quaternary (liquid + liquid) systems containing water, FeCl3, HCl and diisopropyl ether

    International Nuclear Information System (INIS)

    Milosevic, Miran; Hendriks, Ilse; Smits, Ralph E.R.; Schuur, Boelo; Haan, André B. de

    2013-01-01

    Highlights: • Literature data from various sources was validated experimentally. • Ternary and quaternary (liquid + liquid) systems were successfully described with the NRTL model. • Some deflection at higher HCl concentrations between model and data. • Additional data verification proved correctness of the literature data. -- Abstract: Liquid–liquid extraction using ethers as solvents is a potentially energy saving alternative for the concentration of aqueous ferric chloride solutions. Adequate thermodynamic models that describe the behavior of the resulting quaternary systems (FeCl 3 , ether, acid and water) are not available in the literature. In this paper, the development of an equilibrium description applying the NRTL-model is presented, including experimental validation and fitting of the NRTL-parameters on the validated data. Equilibrium experiments were performed for the ternary systems (water + HCl + DiPE) and (water + FeCl 3 + DiPE) and the obtained data is in good agreement with the results from Maljkovic et al.[37] and Cambell et al.[39]. Experimental data of the quaternary system is taken from Maljkovic et al.[37]. The obtained binary interaction parameters to describe the (liquid + liquid) quaternary system (water + FeCl 3 + HCl + DiPE) and the constituting ternaries by the NRTL model are presented. Model predictions are in good agreement with the experimental data

  5. Model of a ternary complex between activated factor VII, tissue factor and factor IX.

    Science.gov (United States)

    Chen, Shu-wen W; Pellequer, Jean-Luc; Schved, Jean-François; Giansily-Blaizot, Muriel

    2002-07-01

    Upon binding to tissue factor, FVIIa triggers coagulation by activating vitamin K-dependent zymogens, factor IX (FIX) and factor X (FX). To understand recognition mechanisms in the initiation step of the coagulation cascade, we present a three-dimensional model of the ternary complex between FVIIa:TF:FIX. This model was built using a full-space search algorithm in combination with computational graphics. With the known crystallographic complex FVIIa:TF kept fixed, the FIX docking was performed first with FIX Gla-EGF1 domains, followed by the FIX protease/EGF2 domains. Because the FIXa crystal structure lacks electron density for the Gla domain, we constructed a chimeric FIX molecule that contains the Gla-EGF1 domains of FVIIa and the EGF2-protease domains of FIXa. The FVIIa:TF:FIX complex has been extensively challenged against experimental data including site-directed mutagenesis, inhibitory peptide data, haemophilia B database mutations, inhibitor antibodies and a novel exosite binding inhibitor peptide. This FVIIa:TF:FIX complex provides a powerful tool to study the regulation of FVIIa production and presents new avenues for developing therapeutic inhibitory compounds of FVIIa:TF:substrate complex.

  6. Thermodynamic and kinetic aspects on the selective surface oxidation of binary, ternary and quarternary model alloys

    International Nuclear Information System (INIS)

    Swaminathan, Srinivasan; Spiegel, Michael

    2007-01-01

    Segregation and selective oxidation phenomena of minor alloying elements during annealing of steel sheets lead to the formation of bare spots after hot dip galvanizing. In order to understand the influence of common alloying elements on the surface chemistry after annealing, model alloys of binary (Fe-2Si, Fe-2Mn and Fe-0.8Cr), ternary (Fe-2Mn-2Si, Fe-2Mn-0.8Cr and Fe-2Si-0.8Cr) and quarternary (Fe-2Mn-2Si-0.8Cr) systems were investigated. The specimens were annealed for 60 s at 820 deg. C in N 2 -5% H 2 gas atmospheres with different dew points -80 and -40 deg. C, respectively. Surface chemistry of the annealed specimens was obtained by using X-ray photoelectron spectroscopy (XPS). The field emission scanning electron microscopy (FE-SEM) was used to view surface morphology. At low dew point -80 deg. C, apart from the thermodynamical calculations such as solubility product of oxides and their critical solute concentrations, kinetics play a decisive role on the selective oxidation, i.e. oxygen competition. As expected, the amount of external selective oxidation of alloying elements are well pronounced at higher dew point -40 deg. C. An attempt has been made to explain the dominant process of Si and Mn on Cr-oxidation and segregation. It is observed that annealing of quarternary system at higher dew point shifts the Cr-oxidation from external to internal

  7. Thermodynamic and kinetic aspects on the selective surface oxidation of binary, ternary and quarternary model alloys

    Energy Technology Data Exchange (ETDEWEB)

    Swaminathan, Srinivasan [High Temperature Reactions Group, Department of Interface Chemistry and Surface Engineering, Max-Planck-Institut fuer Eisenforschung GmbH, Max-Planck-Str. 1, D-40237 Duesseldorf (Germany)]. E-mail: s.swaminathan@mpie.de; Spiegel, Michael [High Temperature Reactions Group, Department of Interface Chemistry and Surface Engineering, Max-Planck-Institut fuer Eisenforschung GmbH, Max-Planck-Str. 1, D-40237 Duesseldorf (Germany)

    2007-03-15

    Segregation and selective oxidation phenomena of minor alloying elements during annealing of steel sheets lead to the formation of bare spots after hot dip galvanizing. In order to understand the influence of common alloying elements on the surface chemistry after annealing, model alloys of binary (Fe-2Si, Fe-2Mn and Fe-0.8Cr), ternary (Fe-2Mn-2Si, Fe-2Mn-0.8Cr and Fe-2Si-0.8Cr) and quarternary (Fe-2Mn-2Si-0.8Cr) systems were investigated. The specimens were annealed for 60 s at 820 deg. C in N{sub 2}-5% H{sub 2} gas atmospheres with different dew points -80 and -40 deg. C, respectively. Surface chemistry of the annealed specimens was obtained by using X-ray photoelectron spectroscopy (XPS). The field emission scanning electron microscopy (FE-SEM) was used to view surface morphology. At low dew point -80 deg. C, apart from the thermodynamical calculations such as solubility product of oxides and their critical solute concentrations, kinetics play a decisive role on the selective oxidation, i.e. oxygen competition. As expected, the amount of external selective oxidation of alloying elements are well pronounced at higher dew point -40 deg. C. An attempt has been made to explain the dominant process of Si and Mn on Cr-oxidation and segregation. It is observed that annealing of quarternary system at higher dew point shifts the Cr-oxidation from external to internal.

  8. Extensive Evaluation of the Conductor-like Screening Model for Real Solvents Method in Predicting Liquid-Liquid Equilibria in Ternary Systems of Ionic Liquids with Molecular Compounds.

    Science.gov (United States)

    Paduszyński, Kamil

    2018-04-12

    A conductor-like screening model for real solvents (COSMO-RS) is nowadays one of the most popular and commonly applied tools for the estimation of thermodynamic properties of complex fluids. The goal of this work is to provide a comprehensive review and analysis of the performance of this approach in calculating liquid-liquid equilibrium (LLE) phase diagrams in ternary systems composed of ionic liquid and two molecular compounds belonging to diverse families of chemicals (alkanes, aromatics, S/N-compounds, alcohols, ketones, ethers, carboxylic acid, esters, and water). The predictions are presented for extensive experimental database, including 930 LLE data sets and more than 9000 data points (LLE tie lines) reported for 779 unique ternary mixtures. An impact of the type of molecular binary subsystem on the accuracy of predictions is demonstrated and discussed on the basis of representative examples. The model's capability of capturing qualitative trends in the LLE distribution ratio and selectivity is also checked for a number of structural effects. Comparative analysis of two levels of quantum chemical theory (BP-TZVP-COSMO vs BP-TZVPD-FINE) for the input molecular data for COSMO-RS is presented. Finally, some general recommendations for the applicability of the model are indicated based on the analysis of the global performance as well as on the results obtained for systems relevant from the point of view of important separation problems.

  9. Alternative solution model for the ternary carbonate system CaCO3 - MgCO3 - FeCO3 - II. Calibration of a combined ordering model and mixing model

    Science.gov (United States)

    McSwiggen, P.L.

    1993-01-01

    Earlier attempts at solution models for the ternary carbonate system have been unable to adequately accommodate the cation ordering which occurs in some of the carbonate phases. The carbonate solution model of this study combines a Margules type of interaction model with a Bragg-Williams type of ordering model. The ordering model determines the equilibrium state of order for a crystal, from which the cation distribution within the lattice can be obtained. The interaction model addresses the effect that mixing different cation species within a given cation layer has on the total free energy of the system. An ordering model was derived, based on the Bragg-Williams approach; it is applicable to ternary systems involving three cations substituting on two sites, and contains three ordering energy parameters (WCaMg, WCaFe, and WCaMgFe). The solution model of this study involves six Margules-type interaction parameters (W12, W21, W13, W31, W23, and W32). Values for the two sets of energy parameters were calculated from experimental data and from compositional relationships in natural assemblages. ?? 1993 Springer-Verlag.

  10. Simulation analysis and ternary diagram of municipal solid waste pyrolysis and gasification based on the equilibrium model.

    Science.gov (United States)

    Deng, Na; Zhang, Awen; Zhang, Qiang; He, Guansong; Cui, Wenqian; Chen, Guanyi; Song, Chengcai

    2017-07-01

    A self-sustained municipal solid waste (MSW) pyrolysis-gasification process with self-produced syngas as heat source was proposed and an equilibrium model was established to predict the syngas reuse rate considering variable MSW components. Simulation results indicated that for constant moisture (ash) content, with the increase of ash (moisture) content, syngas reuse rate gradually increased, and reached the maximum 100% when ash (moisture) content was 73.9% (60.4%). Novel ternary diagrams with moisture, ash and combustible as axes were proposed to predict the adaptability of the self-sustained process and syngas reuse rate for waste. For wastes of given components, its position in the ternary diagram can be determined and the syngas reuse rate can be obtained, which will provide guidance for system design. Assuming that the MSW was composed of 100% combustible content, ternary diagram shows that there was a minimum limiting value of 43.8% for the syngas reuse rate in the process. Copyright © 2017. Published by Elsevier Ltd.

  11. Modelling Eu(III) speciation in a Eu(III)/PAHA/α-Al2O3 ternary system

    International Nuclear Information System (INIS)

    Janot, Noemie; Reiller, Pascal E.; Benedetti, Marc F.

    2013-01-01

    In this work, modelling of Eu(III) speciation in a ternary system, i.e., in presence of purified Aldrich humic acid (PAHA) and α-Al 2 O 3 , is presented. First, the mineral surface charge is measured by potentiometric titrations and then described using the CD-MUSIC model. This model is also used to describe Eu(III) binding to the α-Al 2 O 3 surface at different pH values, ionic strength and mineral concentrations. Time resolved luminescence spectroscopy (TRLS) is then used to study the binding of Eu(III) to PAHA at pH 4 with different humic acid concentrations. The spectra are used to calculate a spectroscopic 'titration curve', used to determine Eu(III)/PAHA binding parameters in the NICA-Donnan model. Following a previous study (Janot et al., Water Res. 46, 731-740), modelling of the ternary system is based upon the definition of two PAHA pools where one fraction remains in solution and the other is adsorbed onto the mineral surface, with each possessing different proton and metal binding parameters. The modification of protonation behaviour for both fractions is examined using spectrophotometric titrations of the non adsorbed PAHA fraction at different organic/mineral ratios. These data are then used to describe Eu(III) interactions in the ternary system: Eu(III) re-partitioning in the ternary system is calculated for different pH, ionic strength and PAHA concentrations, and results are compared to experimental observations. The model is in good agreement with experimental data, except at high PAHA fractionation rates. Results show that organic complexation dominates over a large pH range, with the predominant species existing as the surface-bound fraction. Above pH 8, Eu(III) seems to be mostly complexed to the mineral surface, which is in agreement with previous spectroscopic observations (Janot et al., Environ. Sci. Technol. 45, 3224-3230). (authors)

  12. TernaryNet: faster deep model inference without GPUs for medical 3D segmentation using sparse and binary convolutions.

    Science.gov (United States)

    Heinrich, Mattias P; Blendowski, Max; Oktay, Ozan

    2018-05-30

    Deep convolutional neural networks (DCNN) are currently ubiquitous in medical imaging. While their versatility and high-quality results for common image analysis tasks including segmentation, localisation and prediction is astonishing, the large representational power comes at the cost of highly demanding computational effort. This limits their practical applications for image-guided interventions and diagnostic (point-of-care) support using mobile devices without graphics processing units (GPU). We propose a new scheme that approximates both trainable weights and neural activations in deep networks by ternary values and tackles the open question of backpropagation when dealing with non-differentiable functions. Our solution enables the removal of the expensive floating-point matrix multiplications throughout any convolutional neural network and replaces them by energy- and time-preserving binary operators and population counts. We evaluate our approach for the segmentation of the pancreas in CT. Here, our ternary approximation within a fully convolutional network leads to more than 90% memory reductions and high accuracy (without any post-processing) with a Dice overlap of 71.0% that comes close to the one obtained when using networks with high-precision weights and activations. We further provide a concept for sub-second inference without GPUs and demonstrate significant improvements in comparison with binary quantisation and without our proposed ternary hyperbolic tangent continuation. We present a key enabling technique for highly efficient DCNN inference without GPUs that will help to bring the advances of deep learning to practical clinical applications. It has also great promise for improving accuracies in large-scale medical data retrieval.

  13. Conducting to non-conducting transition in dual transmission lines using a ternary model with long-range correlated disorder

    International Nuclear Information System (INIS)

    Lazo, E.; Diez, E.

    2010-01-01

    In this work we study the behavior of the allowed and forbidden frequencies in disordered classical dual transmission lines when the values of capacitances {C j } are distributed according to a ternary model with long-range correlated disorder. We introduce the disorder from a random sequence with a power spectrum S(k)∝k -(2α-1) , where α≥0.5 is the correlation exponent. From this sequence we generate an asymmetric ternary map using two map parameters b 1 and b 2 , which adjust the occupancy probability of each possible value of the capacitances C j ={C A, C B, C C, }. If the sequence of capacitance values is totally at random α=0.5 (white noise), the electrical transmission line is in the non-conducting state for every frequency ω. When we introduce long-range correlations in the distribution of capacitances, the electrical transmission lines can change their conducting properties and we can find a transition from the non-conducting to conducting state for a fixed system size. This implies the existence of critical values of the map parameters for each correlation exponent α. By performing finite-size scaling we obtain the asymptotic value of the map parameters in the thermodynamic limit for any α. With these data we obtain a phase diagram for the symmetric ternary model, which separates the non-conducting state from the conducting one. This is the fundamental result of this Letter. In addition, introducing one or more impurities in random places of the long-range correlated distribution of capacitances, we observe a dramatic change in the conducting properties of the electrical transmission lines, in such a way that the system jumps from conducting to non-conducting states. We think that this behavior can be considered as a possible mechanism to secure communication.

  14. Quantitative Structure-Relative Volatility Relationship Model for Extractive Distillation of Ethylbenzene/p-Xylene Mixtures: Application to Binary and Ternary Mixtures as Extractive Agents

    International Nuclear Information System (INIS)

    Kang, Young-Mook; Oh, Kyunghwan; You, Hwan; No, Kyoung Tai; Jeon, Yukwon; Shul, Yong-Gun; Hwang, Sung Bo; Shin, Hyun Kil; Kim, Min Sung; Kim, Namseok; Son, Hyoungjun; Chu, Young Hwan; Cho, Kwang-Hwi

    2016-01-01

    Ethylbenzene (EB) and p-xylene (PX) are important chemicals for the production of industrial materials; accordingly, their efficient separation is desired, even though the difference in their boiling points is very small. This paper describes the efforts toward the identification of high-performance extractive agents for EB and PX separation by distillation. Most high-performance extractive agents contain halogen atoms, which present health hazards and are corrosive to distillation plates. To avoid this disadvantage of extractive agents, we developed a quantitative structure-relative volatility relationship (QSRVR) model for designing safe extractive agents. We have previously developed and reported QSRVR models for single extractive agents. In this study, we introduce extended QSRVR models for binary and ternary extractive agents. The QSRVR models accurately predict the relative volatilities of binary and ternary extractive agents. The service to predict the relative volatility for binary and ternary extractive agents is freely available from the Internet at http://qsrvr.o pengsi.org/.

  15. Quantitative Structure-Relative Volatility Relationship Model for Extractive Distillation of Ethylbenzene/p-Xylene Mixtures: Application to Binary and Ternary Mixtures as Extractive Agents

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Young-Mook; Oh, Kyunghwan; You, Hwan; No, Kyoung Tai [Bioinformatics and Molecular Design Research Center, Seoul (Korea, Republic of); Jeon, Yukwon; Shul, Yong-Gun; Hwang, Sung Bo; Shin, Hyun Kil; Kim, Min Sung; Kim, Namseok; Son, Hyoungjun [Yonsei University, Seoul (Korea, Republic of); Chu, Young Hwan [Sangji University, Wonju (Korea, Republic of); Cho, Kwang-Hwi [Soongsil University, Seoul (Korea, Republic of)

    2016-04-15

    Ethylbenzene (EB) and p-xylene (PX) are important chemicals for the production of industrial materials; accordingly, their efficient separation is desired, even though the difference in their boiling points is very small. This paper describes the efforts toward the identification of high-performance extractive agents for EB and PX separation by distillation. Most high-performance extractive agents contain halogen atoms, which present health hazards and are corrosive to distillation plates. To avoid this disadvantage of extractive agents, we developed a quantitative structure-relative volatility relationship (QSRVR) model for designing safe extractive agents. We have previously developed and reported QSRVR models for single extractive agents. In this study, we introduce extended QSRVR models for binary and ternary extractive agents. The QSRVR models accurately predict the relative volatilities of binary and ternary extractive agents. The service to predict the relative volatility for binary and ternary extractive agents is freely available from the Internet at http://qsrvr.o pengsi.org/.

  16. Binary and ternary solid-liquid phase equilibrium for the systems formed by succinic acid, urea and diethylene glycol: Determination and modelling

    International Nuclear Information System (INIS)

    Li, Yanxun; Li, Congcong; Han, Shuo; Zhao, Hongkun

    2017-01-01

    Highlights: • Solubility of succinic acid in diethylene glycol was determined. • Solubility of succinic acid + urea + diethylene glycol was determined. • Three ternary phase diagrams were constructed for the ternary system. • The ternary phase diagrams were correlated using NRTL model. - Abstract: In this work, the solid-liquid phase equilibrium for binary system of succinic acid + diethylene glycol at the temperatures ranging from (298.15 to 333.15) K and ternary system of (succinic acid + urea + diethylene glycol) at 298.15 K, 313.15 K and 333.15 K was built by using the isothermal saturation method under atmospheric pressure (101.2 kPa), and the solubilities were determined by a high-performance liquid chromatography. The solid-phases formed in the ternary system of ((succinic acid + urea + diethylene glycol)) were confirmed by Schreinemaker’s method of wet residue, which corresponded to urea, succinic acid, and adduct 2:1 urea-succinic acid (mole ratio). Three isothermal phase diagrams for the ternary system were constructed based on the measured mutual solubility. Each isothermal phase diagram included six crystallization fields, three invariant curves, two invariant points and two co-saturated points. The crystalline region of adduct 2:1 urea-succinic acid is larger than those of the other two solids. The solubility of succinic acid in diethylene glycol was correlated with the modified Apelblat equation, λh equation and NRTL model; and the mutual solubility of the ternary ((succinic acid + urea + diethylene glycol)) system was correlated and calculated by the NRTL model. The interaction parameters’ values of succinic acid-urea were acquired. The value of RMSD was 7.11 × 10 −3 for the ternary system. The calculation results had good agreement with the experiment values. Furthermore, the densities of equilibrium liquid phase were acquired. The phase diagrams and the thermodynamic model of the ternary system could provide the basis for design of

  17. The use of Ternary Diagrams in the Analysis and the Mathematical Modeling of Bank Assets Structure

    Directory of Open Access Journals (Sweden)

    Ramona Mariana CALINICA

    2012-04-01

    Full Text Available The objectives pursued in this paper are: to obtain by means of ternary diagrams imagistic representations of the structure of assets in credit banking institutions operating in Romania in case of stability, turbulence and intense manifestation of the crisis; identifying functional discontinuities and achieve a comparative database. The ultimate goal of this paper is reporting the results obtained from comparative database to find out what signals preceding a turbulent situation in the banking sector and how far away is the banking system by the normal situation.

  18. Atomistic modeling to investigate the favored composition for metallic glass formation in the Ca-Mg-Ni ternary system.

    Science.gov (United States)

    Zhao, S; Li, J H; An, S M; Li, S N; Liu, B X

    2017-05-17

    A realistic interatomic potential was first constructed for the Ca-Mg-Ni system and then applied to Monte Carlo simulations to predict the favored composition for metallic glass formation in the ternary system. The simulations not only predict a hexagonal composition region, within which the Ca-Mg-Ni metallic glass formation is energetically favored, but also pinpoint an optimized sub-region within which the amorphization driving force, i.e. the energy difference between the solid solution and disordered phase, is larger than that outside. The simulations further reveal that the physical origin of glass formation is the solid solution collapsing when the solute atom exceeds the critical solid solubility. Further structural analysis indicates that the pentagonal bi-pyramids dominate in the optimized sub-region. The large atomic size difference between Ca, Mg and Ni extends the short-range landscape and facilitates the development of a hybridized packing model in the medium-range, and eventually enhancing the glass formation in the system. The predictions are well supported by the experimental observations reported so far, and could be of help for designing the ternary glass formation.

  19. Phase-field modeling of the microstructure evolution and heterogeneous nucleation in solidifying ternary Al–Cu–Ni alloys

    International Nuclear Information System (INIS)

    Kundin, Julia; Pogorelov, Evgeny; Emmerich, Heike

    2015-01-01

    We have investigated the microstructure evolution during the isothermal and non-isothermal solidification of ternary Al–Cu–Ni alloys by means of a general multi-phase-field model for an arbitrary number of phases. The stability requirements for the model functions on every dual interface guarantee the absence of “ghost” phases. The aim was to generate a realistic microstructure by coupling the thermodynamic parameters of the phases and the thermodynamically consistent phase-field evolution equations. It is shown that the specially constructed thermal noise terms disturb the stability on the dual interfaces and can produce heterogeneous nucleation of product phases at energetically favorable points. Similar behavior can be observed in triple junctions where the heterogeneous nucleation of a fourth phase is more favorable. Finally, the model predicts the growth of a combined eutectic-like and peritectic-like structure that is comparable to the observed experimental microstructure in various alloys

  20. Modelling equilibrium adsorption of single, binary, and ternary combinations of Cu, Pb, and Zn onto granular activated carbon.

    Science.gov (United States)

    Loganathan, Paripurnanda; Shim, Wang Geun; Sounthararajah, Danious Pratheep; Kalaruban, Mahatheva; Nur, Tanjina; Vigneswaran, Saravanamuthu

    2018-03-30

    Elevated concentrations of heavy metals in water can be toxic to humans, animals, and aquatic organisms. A study was conducted on the removal of Cu, Pb, and Zn by a commonly used water treatment adsorbent, granular activated carbon (GAC), from three single, three binary (Cu-Pb, Cu-Zn, Pb-Zn), and one ternary (Cu-Pb-Zn) combination of metals. It also investigated seven mathematical models on their suitability to predict the metals adsorption capacities. Adsorption of Cu, Pb, and Zn increased with pH with an abrupt increase in adsorption at around pH 5.5, 4.5, and 6.0, respectively. At all pHs tested (2.5-7.0), the adsorption capacity followed the order Pb > Cu > Zn. The Langmuir and Sips models fitted better than the Freundlich model to the data in the single-metal system at pH 5. The Langmuir maximum adsorption capacities of Pb, Cu, and Zn (mmol/g) obtained from the model's fits were 0.142, 0.094, and 0.058, respectively. The adsorption capacities (mmol/g) for these metals at 0.01 mmol/L equilibrium liquid concentration were 0.130, 0.085, and 0.040, respectively. Ideal Adsorbed Solution (IAS)-Langmuir and IAS-Sips models fitted well to the binary and ternary metals adsorption data, whereas the Extended Langmuir and Extended Sips models' fits to the data were poor. The selectivity of adsorption followed the same order as the metals' capacities and affinities of adsorption in the single-metal systems.

  1. Ternary Vapor–Liquid Equilibrium Measurements and Modeling of Ethylene Glycol (1) + Water (2) + Methane (3) Systems at 6 and 12.5 MPa

    DEFF Research Database (Denmark)

    Kruger, Francois J.; Danielsen, Marie V.; Kontogeorgis, Georgios M.

    2018-01-01

    Novel technologies in the field of subsea gasprocessing include the development of natural gas dehydration facilities, which may operate at high pressure due to their proximity to reservoirs. For the qualification and design of these processing units, ternary vapor−liquid equilibrium data...... are required to validate the thermodynamic models used in the design process. For this purpose, 16 new ternary data points were measured for ethylene glycol (1) + water (2) + methane (3) at 6.0 and 12.5 MPa with temperatures ranging from 288to 323 K and glycol content above 90 wt %. Glycol in gas (y1),water...

  2. Modeling of the branching influence on liquid–liquid equilibrium of binary and ternary polymer solutions by lattice–cluster theory

    International Nuclear Information System (INIS)

    Browarzik, Dieter; Langenbach, Kai; Enders, Sabine; Browarzik, Christina

    2013-01-01

    Highlights: ► Liquid–liquid equilibrium (LLE) is calculated with the lattice–cluster theory (LCT). ► Equations of the LCT are reduced to only three geometrical parameters. ► Branching influence on the LLE is modeled for binary and ternary polymer solutions. ► Branched and linear solvents and polymers are compared in their influence on LLE. ► Solutions of branched polymers in branched solvents show the best miscibility. -- Abstract: The liquid–liquid equilibrium (LLE) of ternary model systems of the type solvent A + polymer B + solvent C is treated in the framework of lattice–cluster theory (LCT). There are a linear and a branched type of A-molecules as well as a linear and two types of strongly branched polymer molecules. The C-molecules are assumed to occupy only one lattice site. For nine binary and six ternary polymer solutions the branching influence on LLE is discussed. Currently, the LCT is the most useful model to take the architecture of the molecules into account. However, particularly for ternary systems the model is not comfortable because of the very numerous terms of the Gibbs energy. Using some relationships between the geometrical parameters of the model a considerable simplification is possible. In this paper the new and simpler equations of the LCT are presented. For comparison with experimental data critical temperatures of solutions of linear and branched polyethylene samples in diphenyl ether are calculated

  3. A combined theoretical and experimental approach of a new ternary metal oxide in molybdate composite for hybrid energy storage capacitors

    Science.gov (United States)

    Minakshi, M.; Watcharatharapong, T.; Chakraborty, S.; Ahuja, R.

    2018-04-01

    Sustainable energy sources require an efficient energy storage system possessing excellent electrochemical properties. The better understanding of possible crystal configurations and the development of a new ternary metal oxide in molybdate composite as an electrode for hybrid capacitors can lead to an efficient energy storage system. Here, we reported a new ternary metal oxide in molybdate composite [(Mn1/3Co1/3Ni1/3)MoO4] prepared by simple combustion synthesis with an extended voltage window (1.8 V vs. Carbon) resulting in excellent specific capacity 35 C g-1 (58 F g-1) and energy density (50 Wh kg-1 at 500 W kg-1) for a two electrode system in an aqueous NaOH electrolyte. The binding energies measured for Mn, Co, and Ni 2p are consistent with the literature, and with the metal ions being present as M(II), implying that the oxidation states of the transition metals are unchanged. The experimental findings are correlated well through density functional theory based electronic structure calculations. Our reported work on the ternary metal oxide studies (Mn1/3Co1/3Ni1/3)MoO4 suggests that will be an added value to the materials for energy storage.

  4. Calculation of glass forming ranges in Al-Ni-RE (Ce, La, Y) ternary alloys and their sub-binaries based on Miedema's model

    International Nuclear Information System (INIS)

    Sun, S.P.; Yi, D.Q.; Liu, H.Q.; Zang, B.; Jiang, Y.

    2010-01-01

    Research highlights: → A method based on semi-empirical Miedema's and Toop's model for predicting glass forming range of ternary alloy system has been systematically described. → The method is superior to conventional models by considering the effect of the thermodynamic asymmetric component when dealing with a ternary alloy system. → The glass forming ranges of Al-Ni-RE (Al-Ni-Ce, Al-Ni-Y and Al-Ni-La) systems and their sub-binaries have been successfully calculated. → The present calculations using the method are in well agreement with experiments. → This model is especially useful for predicting the glass forming range of ternary alloy system because the calculations do not require experimental data. - Abstract: A method based on the semi-empirical Miedema's and Toop's model for calculating the glass forming range of a ternary alloy system was systematically described. The method is superior to conventional models by considering the effect of the thermodynamic asymmetric component when dealing with a ternary alloy system. Using this method, the glass forming ranges of Al-Ni-RE (Ce, La, Y) systems and their sub-binaries were successfully predicted. The mixing enthalpy and mismatch entropy were calculated, and their effects on the glass forming abilities of Al-Ni-RE (Ce, La, Y) systems were also discussed. The glass forming abilities of Al-Ni-Ce, Al-Ni-La and Al-Ni-Y are found to be close. The calculated glass forming ranges agree with experiments well. Meanwhile, the enthalpy change from amorphous phase to solid solution in the glass forming ranges was calculated, and the results suggest that those alloys close to the Ni-RE sub-binary system have higher glass forming abilities.

  5. A ternary phase-field model incorporating commercial CALPHAD software and its application to precipitation in superalloys

    International Nuclear Information System (INIS)

    Wen, Y.H.; Lill, J.V.; Chen, S.L.; Simmons, J.P.

    2010-01-01

    A ternary phase-field model was developed that is linked directly to commercial CALPHAD software to provide quantitative thermodynamic driving forces. A recently available diffusion mobility database for ordered phases is also implemented to give a better description of the diffusion behavior in alloys. Because the targeted application of this model is the study of precipitation in Ni-based superalloys, a Ni-Al-Cr model alloy was constructed. A detailed description of this model is given in the paper. We have considered the misfit effects of the partitioning of the two solute elements. Transformation rules of the dual representation of the γ+γ ' microstructure by CALPHAD and by the phase field are established and the link with commercial CALPHAD software is described. Proof-of-concept tests were performed to evaluate the model and the results demonstrate that the model can qualitatively reproduce observed γ ' precipitation behavior. Uphill diffusion of Al is observed in a few diffusion couples, showing the significant influence of Cr on the chemical potential of Al. Possible applications of this model are discussed.

  6. Design of a novel quantum reversible ternary up-counter

    Science.gov (United States)

    Houshmand, Pouran; Haghparast, Majid

    2015-08-01

    Reversible logic has been recently considered as an interesting and important issue in designing combinational and sequential circuits. The combination of reversible logic and multi-valued logic can improve power dissipation, time and space utilization rate of designed circuits. Only few works have been reported about sequential reversible circuits and almost there are no paper exhibited about quantum ternary reversible counter. In this paper, first we designed 2-qutrit and 3-qutrit quantum reversible ternary up-counters using quantum ternary reversible T-flip-flop and quantum reversible ternary gates. Then we proposed generalized quantum reversible ternary n-qutrit up-counter. We also introduced a new approach for designing any type of n-qutrit ternary and reversible counter. According to the results, we can conclude that applying second approach quantum reversible ternary up-counter is better than the others.

  7. Experimental investigation and thermodynamic modeling of the Ni-Al-Ru ternary system

    International Nuclear Information System (INIS)

    Zhu, J.; Zhang, C.; Cao, W.; Yang, Y.; Zhang, F.; Chen, S.; Morgan, D.; Chang, Y.A.

    2009-01-01

    In this study, a thermodynamic description of the Ni-Al-Ru system was obtained in terms of experimental phase equilibrium data as well as first-principles-calculated energetics. The calculated isotherms and liquidus projection using this description are in accord with the experimental data obtained in the present study as well as those previously reported in the literature, and the model-calculated enthalpies of formation agree with subsequent first-principles-calculated values. During the thermodynamic modeling of the Ni-Al-Ru system, we encountered great challenges initially to account for one of the experimentally determined isotherms reported in the literature. To reconcile these discrepancies, additional experiments were carried out and the results obtained supported the phase equilibrium data reported in the literature. The model-calculated enthalpies agree with subsequent first-principles-calculated values. The approach adopted in this study using phase equilibrium data of Ni-Al-Ru and the descriptions of Ni-Al and Ni-Ru to identify errors in the enthalpy of AlRu could be a general tool that could be used for other systems

  8. Ternary copper(II) complex: NCI60 screening, toxicity studies, and evaluation of efficacy in xenograft models of nasopharyngeal carcinoma

    Science.gov (United States)

    Chu, Tai-Lin; Abdul Aziz, Norazlin; Mohd Kornain, Noor-Kaslina; Samiulla, D. S.; Lo, Kwok-Wai; Ng, Chew-Hee

    2018-01-01

    Copper(II) ternary complex, [Cu(phen)(C-dmg)(H2O)]NO3 was evaluated against a panel of cell lines, tested for in vivo efficacy in nasopharyngeal carcinoma xenograft models as well as for toxicity in NOD scid gamma mice. The Cu(II) complex displayed broad spectrum cytotoxicity against multiple cancer types, including lung, colon, central nervous system, melanoma, ovarian, and prostate cancer cell lines in the NCI-60 panel. The Cu(II) complex did not cause significant induction of cytochrome P450 (CYP) 3A and 1A enzymes but moderately inhibited CYP isoforms 1A2, 2C9, 2C19, 2D6, 2B6, 2C8 and 3A4. The complex significantly inhibited tumor growth in nasopharyngeal carcinoma xenograft bearing mice models at doses which were well tolerated without causing significant or permanent toxic side effects. However, higher doses which resulted in better inhibition of tumor growth also resulted in toxicity. PMID:29329342

  9. Maxwell-Stefan diffusion coefficient estimation for ternary systems: an ideal ternary alcohol system.

    Science.gov (United States)

    Allie-Ebrahim, Tariq; Zhu, Qingyu; Bräuer, Pierre; Moggridge, Geoff D; D'Agostino, Carmine

    2017-06-21

    The Maxwell-Stefan model is a popular diffusion model originally developed to model diffusion of gases, which can be considered thermodynamically ideal mixtures, although its application has been extended to model diffusion in non-ideal liquid mixtures as well. A drawback of the model is that it requires the Maxwell-Stefan diffusion coefficients, which are not based on measurable quantities but they have to be estimated. As a result, numerous estimation methods, such as the Darken model, have been proposed to estimate these diffusion coefficients. However, the Darken model was derived, and is only well defined, for binary systems. This model has been extended to ternary systems according to two proposed forms, one by R. Krishna and J. M. van Baten, Ind. Eng. Chem. Res., 2005, 44, 6939-6947 and the other by X. Liu, T. J. H. Vlugt and A. Bardow, Ind. Eng. Chem. Res., 2011, 50, 10350-10358. In this paper, the two forms have been analysed against the ideal ternary system of methanol/butan-1-ol/propan-1-ol and using experimental values of self-diffusion coefficients. In particular, using pulsed gradient stimulated echo nuclear magnetic resonance (PGSTE-NMR) we have measured the self-diffusion coefficients in various methanol/butan-1-ol/propan-1-ol mixtures. The experimental values of self-diffusion coefficients were then used as the input data required for the Darken model. The predictions of the two proposed multicomponent forms of this model were then compared to experimental values of mutual diffusion coefficients for the ideal alcohol ternary system. This experimental-based approach showed that the Liu's model gives better predictions compared to that of Krishna and van Baten, although it was only accurate to within 26%. Nonetheless, the multicomponent Darken model in conjunction with self-diffusion measurements from PGSTE-NMR represents an attractive method for a rapid estimation of mutual diffusion in multicomponent systems, especially when compared to exhaustive

  10. Sol-gel approach to the novel organic-inorganic hybrid composite films with ternary europium complex covalently bonded with silica matrix

    International Nuclear Information System (INIS)

    Dong Dewen; Yang Yongsheng; Jiang Bingzheng

    2006-01-01

    Novel organic-inorganic hybrid composite films with ternary lanthanide complex covalently bonded with silica matrix were prepared in situ via co-ordination of N-(3-propyltriethoxysilane)-4-carboxyphthalimide (TAT) and 1,10-phenanthroline (Phen) with europium ion (Eu 3+ ) during a sol-gel approach and characterized by the means of spectrofluorimeter, phosphorimeter and infrared spectrophotometer (FTIR). The resulting transparent films showed improved photophysical properties, i.e. increased luminescence intensity and longer luminescence lifetime, compared with the corresponding binary composite films without Phen. All the results revealed that the intense luminescence of the composite film was attributed to the efficient energy transfer from ligands, especially Phen, to chelated Eu 3+ and the reduced non-radiation through the rigid silica matrix and 'site isolation'

  11. Binary and ternary systems

    International Nuclear Information System (INIS)

    Petrov, D.A.

    1986-01-01

    Conditions for thermodynamical equilibrium in binary and ternary systems are considered. Main types of binary and ternary system phase diagrams are sequently constructed on the basis of general regularities on the character of transition from one equilibria to others. New statements on equilibrium line direction in the diagram triple points and their isothermal cross sections are developed. New represenations on equilibria in case of monovariant curve minimum and maximum on three-phase equilibrium formation in ternary system are introduced

  12. Interaction between ropinirole hydrochloride and aspirin with human serum albumin as binary and ternary systems by multi-spectroscopic, molecular modeling and zeta potential

    International Nuclear Information System (INIS)

    Mahaki, Hanie; Memarpoor-Yazdi, Mina; Chamani, Jamshidkhan; Reza Saberi, Mohammad

    2013-01-01

    The aim of the present study was to describe the competition of ropinirole hydrochloride (RP) and aspirin (ASA) in binding to human serum albumin (HSA) in physiological buffer (pH=7.4) using multi-spectroscopic, molecular modeling and zeta-potential measurements. Fluorescence analysis was used to define the binding and quenching properties of drug-HSA complexes in binary and ternary systems. Fluorescence spectroscopy showed that in the presence of RP, the binding constant of HSA–ASA was increased. Static quenching was confirmed to result in the fluorescence quenching and FRET. The effect of drugs on the conformation of HSA was analyzed using synchronous fluorescence spectroscopy, three-dimensional fluorescence spectra and circular dichroism (CD). The RLS method determined the critical aggregation concentration of drugs on HSA in binary and ternary systems that confirmed the zeta potential results. Structural modeling showed that the affinity of each of the drugs to HSA in binary and ternary systems confirms the spectroscopic results. - Highlights: ► We studied the interaction of ropinirole hydrochloride and aspirin with HSA. ► Molecular modeling and zeta-potential used to describe competitive interaction. ► We determined the critical induced aggregation concentration of both drugs on HSA. ► The binding mechanism of drugs as separate and simultaneous to HSA has been compared. ► The binding site of both drugs as simultaneous effects on HSA has been determined.

  13. Interaction between ropinirole hydrochloride and aspirin with human serum albumin as binary and ternary systems by multi-spectroscopic, molecular modeling and zeta potential

    Energy Technology Data Exchange (ETDEWEB)

    Mahaki, Hanie, E-mail: hanieh.mahaki@gmail.com [Department of Biology, Faculty of Sciences, Mashhad Branch, Islamic Azad University, Mashhad (Iran, Islamic Republic of); Memarpoor-Yazdi, Mina; Chamani, Jamshidkhan [Department of Biology, Faculty of Sciences, Mashhad Branch, Islamic Azad University, Mashhad (Iran, Islamic Republic of); Reza Saberi, Mohammad [Medical Chemistry Department, School of Pharmacy, Mashhad University of Medical Sciences, Mashhad (Iran, Islamic Republic of)

    2013-02-15

    The aim of the present study was to describe the competition of ropinirole hydrochloride (RP) and aspirin (ASA) in binding to human serum albumin (HSA) in physiological buffer (pH=7.4) using multi-spectroscopic, molecular modeling and zeta-potential measurements. Fluorescence analysis was used to define the binding and quenching properties of drug-HSA complexes in binary and ternary systems. Fluorescence spectroscopy showed that in the presence of RP, the binding constant of HSA-ASA was increased. Static quenching was confirmed to result in the fluorescence quenching and FRET. The effect of drugs on the conformation of HSA was analyzed using synchronous fluorescence spectroscopy, three-dimensional fluorescence spectra and circular dichroism (CD). The RLS method determined the critical aggregation concentration of drugs on HSA in binary and ternary systems that confirmed the zeta potential results. Structural modeling showed that the affinity of each of the drugs to HSA in binary and ternary systems confirms the spectroscopic results. - Highlights: Black-Right-Pointing-Pointer We studied the interaction of ropinirole hydrochloride and aspirin with HSA. Black-Right-Pointing-Pointer Molecular modeling and zeta-potential used to describe competitive interaction. Black-Right-Pointing-Pointer We determined the critical induced aggregation concentration of both drugs on HSA. Black-Right-Pointing-Pointer The binding mechanism of drugs as separate and simultaneous to HSA has been compared. Black-Right-Pointing-Pointer The binding site of both drugs as simultaneous effects on HSA has been determined.

  14. All-optical symmetric ternary logic gate

    Science.gov (United States)

    Chattopadhyay, Tanay

    2010-09-01

    Symmetric ternary number (radix=3) has three logical states (1¯, 0, 1). It is very much useful in carry free arithmetical operation. Beside this, the logical operation using this type of number system is also effective in high speed computation and communication in multi-valued logic. In this literature all-optical circuits for three basic symmetrical ternary logical operations (inversion, MIN and MAX) are proposed and described. Numerical simulation verifies the theoretical model. In this present scheme the different ternary logical states are represented by different polarized state of light. Terahertz optical asymmetric demultiplexer (TOAD) based interferometric switch has been used categorically in this manuscript.

  15. Administration of the optimized β-Lapachone-poloxamer-cyclodextrin ternary system induces apoptosis, DNA damage and reduces tumor growth in a human breast adenocarcinoma xenograft mouse model.

    Science.gov (United States)

    Seoane, Samuel; Díaz-Rodríguez, Patricia; Sendon-Lago, Juan; Gallego, Rosalia; Pérez-Fernández, Román; Landin, Mariana

    2013-08-01

    β-Lapachone (β-Lap) is a 1,2-orthonaphthoquinone that selectively induces cell death in human cancer cells through NAD(P)H:quinone oxidoreductase-1 (NQO1). NQO1 is overexpressed in a variety of tumors, as compared to normal adjacent tissue. However, the low solubility and non-specific distribution of β-Lap limit its suitability for clinical assays. We formulated β-Lap in an optimal random methylated-β-cyclodextrin/poloxamer 407 mixture (i.e., β-Lap ternary system) and, using human breast adenocarcinoma MCF-7 cells and immunodeficient mice, performed in vitro and in vivo evaluation of its anti-tumor effects on proliferation, cell cycle, apoptosis, DNA damage, and tumor growth. This ternary system is fluid at room temperature, gels over 29 °C, and provides a significant amount of drug, thus facilitating intratumoral delivery, in situ gelation, and the formation of a depot for time-release. Administration of β-Lap ternary system to MCF-7 cells induces an increase in apoptosis and DNA damage, while producing no changes in cell cycle. Moreover, in a mouse xenograft tumor model, intratumoral injection of the system significantly reduces tumor volume, while increasing apoptosis and DNA damage without visible toxicity to liver or kidney. These anti-tumoral effects and lack of visible toxicity make this system a promising new therapeutic agent for breast cancer treatment. Copyright © 2013 Elsevier B.V. All rights reserved.

  16. Excess molar volume, viscosity, and refractive index study for the ternary mixture {2-methyl-2-butanol (1) + tetrahydrofuran (2) + propylamine (3)} at different temperatures. Application of the ERAS-model and Peng-Robinson-Stryjek-Vera equation of state

    International Nuclear Information System (INIS)

    Fattahi, M.; Iloukhani, H.

    2010-01-01

    Densities, viscosities, and refractive indices of the ternary mixture consist of {2-methyl-2-butanol (1) + tetrahydrofuran (THF) (2) + propylamine (3)} at a temperature of 298.15 K and related binary mixtures were measured at temperatures of (288.15, 298.15, and 308.15) K at ambient pressure. Data were used to calculate the excess molar volumes and the deviations of the viscosity and refractive index. The Redlich-Kister and the Cibulka equations were used for correlating binary and ternary properties, respectively. The ERAS-model has been applied for describing the binary and ternary excess molar volumes and also Peng-Robinson-Stryjek-Vera (PRSV) equation of state (EOS) has been used to predict the binary and ternary excess molar volumes and viscosities.

  17. Ternary networks reliability and Monte Carlo

    CERN Document Server

    Gertsbakh, Ilya; Vaisman, Radislav

    2014-01-01

    Ternary means “based on three”. This book deals with reliability investigations of  networks whose components subject to failures can be in three states –up, down and middle (mid), contrary to traditionally considered networks  having only binary (up/down) components. Extending binary case to ternary allows to consider more realistic and flexible models for communication, flow and supply networks.

  18. Experimental study and thermodynamic modelling of the B-Fe-Mn ternary system

    Czech Academy of Sciences Publication Activity Database

    Repovský, P.; Homolová, V.; Čiripová, L.; Kroupa, Aleš; Zemanová, Adéla

    2016-01-01

    Roč. 55, DEC (2016), s. 252-259 ISSN 0364-5916 R&D Projects: GA ČR GA14-15576S Institutional support: RVO:68081723 Keywords : thermodynamic modelling * phase diagram * borides Subject RIV: BJ - Thermodynamic s Impact factor: 1.600, year: 2016

  19. Ternary chalcopyrite semiconductors

    CERN Document Server

    Shay, J L; Pamplin, B R

    2013-01-01

    Ternary Chalcopyrite Semiconductors: Growth, Electronic Properties, and Applications covers the developments of work in the I-III-VI2 and II-IV-V2 ternary chalcopyrite compounds. This book is composed of eight chapters that focus on the crystal growth, characterization, and applications of these compounds to optical communications systems. After briefly dealing with the status of ternary chalcopyrite compounds, this book goes on describing the crystal growth of II-IV-V2 and I-III-VI2 single crystals. Chapters 3 and 4 examine the energy band structure of these semiconductor compounds, illustrat

  20. Structural analysis of ternary actinyl(V/VI) sorption complexes on gibbsite. A combined quantum chemical and spectroscopic approach

    Energy Technology Data Exchange (ETDEWEB)

    Gueckel, Katharina

    2013-10-08

    For the safety assessment of high-level nuclear waste repositories, it is mandatory to know the transportation paths of contaminants, e.g. actinyl ions, in the geological barrier. The most attention needs to be focused on the transport in aquifers, because water contamination, depending on retention and migration processes of radionuclides in the geosphere, is of primary environmental concern. The migration behavior of actinides in ground water is mainly controlled by aquatic speciations and sorption processes at water-mineral interfaces. Hence, the investigation of complexspecies in aqueous solutions and at mineral surfaces becomes essential for the safety assessment in the near and far field of nuclear repositories. For deep ground repositories, clay and clay minerals are considered as possible host rocks, because they show a low permeability and are expected to have a high retention capacity towards actinyl ions. But the complexity of naturally occurring minerals in particular their surface often hampers the unequivocal interpretation of results obtained from sorption experiments. The use of model phases only showing one particular functional group at the surfaces with a well defined surface topology is an appropriate approach for the understanding of the basic sorption processes. Aluminum oxide and hydroxides are of special interest because they represent main components in clays and clay minerals. In particular, gibbsite is widely used as a model system because it represents not only the most common crystalline aluminum hydroxide but also a ubiquitous weathering product of alumosilicates. Furthermore, the elemental structural unit of gibbsite, that is the Al(OH)6 octahedron, occurs ubiquitously as part of the structure of common clay minerals like kaolinite. In the present study, the sorption processes of U(VI) and Np(V) on gibbsite were studied under consideration of the aqueous speciation.

  1. Modeling of H- surface conversion sources; binary (H-Ba) and ternary (H-Cs/W) converter arrangements

    International Nuclear Information System (INIS)

    van Os, C.F.A.; Kunkel, W.B.; Leguijt, C.; Los, J.

    1991-01-01

    The production process for the formation of H - ions in a surface conversion source is sputtering of hydrogen atoms from the converter surface layers by incident positive ions, followed by electron attachment via resonant charge exchange with the converter surface. The sputtering process is in direct relation to the converter surface composition. New experimental data led us to identify two different classes of converters: metallic converters, like solid barium(binary) and adlayer converters, like cesium on tungsten (ternary). For a binary converter the hydrogen in the surface layers is directly sputtered by the incoming ions. Consequently, the negative ion yield scales with the hydrogen concentration in the surface layers. In the cesium/tungsten system (ternary) the hydrogen at the surface is believed to be sandwiched between the cesium adlayer and the tungsten surface. Hence, the negative ion yield scales with the sputter coefficient of hydrogen on adsorbed cesium. This is experimentally confirmed

  2. HEDR modeling approach

    International Nuclear Information System (INIS)

    Shipler, D.B.; Napier, B.A.

    1992-07-01

    This report details the conceptual approaches to be used in calculating radiation doses to individuals throughout the various periods of operations at the Hanford Site. The report considers the major environmental transport pathways--atmospheric, surface water, and ground water--and projects and appropriate modeling technique for each. The modeling sequence chosen for each pathway depends on the available data on doses, the degree of confidence justified by such existing data, and the level of sophistication deemed appropriate for the particular pathway and time period being considered

  3. Fusibility diagram of ternary system with incongruently melting double compound

    International Nuclear Information System (INIS)

    Lutsyk, V.I.; Vorob'eva, V.P.; Sumkina, O.G.

    1989-01-01

    Temperature calculation and properties of ternary eutectics and concentration coordinates of ternary peritectics accoriding to the linear model of initial crystallization surfaces as an element of the expert system for simulating fusibility diagrams of ternary systems is considered. It is shown that the calculated and experimental data on coordinates of ternary nonvariant points in the systems NaCl-PbCl 2 -CdCl 2 , PbCl 2 -CaCl 2 -UCl 4 , CaF 2 -NaF-CsF and UCl 3 -CaCl 2 -ThCl 4 are in good agreement

  4. Evaluation of ΔGsub(f) values for unstable compounds: a Fortran program for the calculation of ternary phase equilibria

    International Nuclear Information System (INIS)

    Throop, G.J.; Rogl, P.; Rudy, E.

    1978-01-01

    A Fortran IV program was set up for the calculation of phase equilibria and tieline distributions in ternary systems of the type: transition metal-transition metal-nonmetal (interstitial type of solid solutions). The method offers the possibility of determining the thermodynamic values for unstable compounds through their influence upon ternary phase equilibria. The variation of the free enthalpy of formation of ternary solid solutions is calculated as a function of nonmetal content, thus describing the actual curvature of the phase boundaries. The integral and partial molar free enthalpies of formation of binary nonstoichiometric compounds and of phase solutions are expressed as analytical functions of the nonmetal content within their homogeneity range. The coefficient of these analytical expressions are obtained by the use either of the Wagner-Schottky vacancy model or polynomials second order in composition (parabolic approach). The free energy of formation, ΔGsub(f) has been calculated for the systems Ti-C, Zr-C, and Ta-C. Calculations of the ternary phase equilibria yielded the values for ΔGsub(f) for the unstable compounds Ti 2 C at 1500 0 C and Zr 2 C at 1775 0 C of -22.3 and 22.7 kcal g atom metal respectively. These values were used for the calculation of isothermal sections within the ternary systems Ti-Ta-C (at 1500 0 C) and Zr-Ta-C (at 1775 0 C). The ideal case of ternary phase solutions is extended to regular solutions. (author)

  5. Simulation of the precipitation process of ordered intermetallic compounds in binary and ternary Ni-Al-based alloys by the phase-field model

    International Nuclear Information System (INIS)

    Hou Hua; Zhao Yuhong; Zhao Yuhui

    2009-01-01

    With the microscopic phase-field model, atomic-scale computer simulation programs for the precipitation mechanism of the ordered intermetallic compound γ' in binary Ni-15.5 at.%Al alloy, θ and γ' in ternary Ni 75 Al x V 25-x alloys were worked out based on the microscopic diffusion equation and non-equilibrium free energy. The simulation can be applied to the whole precipitation process and composition range. A prior assumptions on the new phase structure or transformation path was unnecessary, the possible non-equilibrium phases, atomic clustering and ordering could be described automatically, and atomic images, order parameters and volume fractions of precipitates were obtained. Computer simulation was performed systematically on the precipitation mechanism, precipitation sequence of θ and γ' in complicated system with ordering and clustering simultaneously. Through the simulated atomic images and chemical order parameters of precipitates, we can explain the complex precipitation mechanisms of θ (Ni 3 V) and γ' (Ni 3 Al) ordered phases. For the binary alloy, the precipitation mechanism of γ' phase has the characteristic of both non-classical nucleation and growth (NCNG) and congruent ordering and spinodal decomposition (COSD). For the ternary alloys, the precipitation characteristic of γ' phase transforms from NCNG to COSD gradually, otherwise, the precipitation characteristic of θ phase transforms from COSD to NCNG mechanism gradually

  6. Determination and modeling of binary and ternary solid-liquid phase equilibrium for the systems formed by 1,8-dinitronaphthalene and 1,5-dinitronaphthalene and N-methyl-2-pyrrolidone

    International Nuclear Information System (INIS)

    Xie, Yong; Du, Cunbin; Cong, Yang; Wang, Jian; Han, Shuo; Zhao, Hongkun

    2016-01-01

    Highlights: • SLE formed by 1,5 and/or 1,8-dinitronaphthalene and NMP was determined. • The binary and ternary phase diagrams were constructed. • The phase diagrams were correlated and calculated using thermodynamic models. - Abstract: The solubility of 1,8-dinitronaphthalene and 1,5-dinitronaphthalene in N-methyl-2-pyrrolidone at (293.15–343.15) K and the mutual solubility of the ternary 1,5-dinitronaphthalene + 1,8-dinitronaphthalene + N-methyl-2-pyrrolidone mixture at (313.15, 328.15 and 343.15) K were determined experimentally using the isothermal saturation method under atmospheric pressure (101.2 kPa). The solubility of 1,8-dinitronaphthalene in N-methyl-2-pyrrolidone is larger than that of 1,5-dinitronaphthalene. Three isothermal ternary phase diagrams were built according to the measured mutual solubility data. In each ternary phase diagram, there were one co-saturated point, two boundary curves, and three crystalline regions. Two pure solids (pure 1,8-dinitronaphthalene and pure 1,5-dinitronaphthalene) were formed in the ternary system at a given temperature, which were identified by Schreinemaker’s method of wet residue and powder X-ray diffraction (PXRD) pattern. The crystallization region of 1,8-dinitronaphthalene was smaller than that of 1,5-dinitronaphthalene at each temperature. The modified Apelblat equation, λh equation, NRTL model and Wilson model were used to correlate the solubility of 1,8-dinitronaphthalene and 1,5-dinitronaphthalene in N-methyl-2-pyrrolidone; and the NRTL and Wilson models were employed to correlate and calculate the mutual solubility for the ternary 1,5-dinitronaphthalene + 1,8-dinitronaphthalene + N-methyl-2-pyrrolidone system. The largest value of root-mean-square deviation (RMSD) was 20.34 × 10 −4 for the binary systems; and 7.38 × 10 −3 for ternary system. The calculated results via these models are all acceptable for the binary and ternary solid-liquid phase equilibrium.

  7. A modelling exercise on the importance of ternary alkaline earth carbonate species of uranium(VI) in the inorganic speciation of natural waters

    International Nuclear Information System (INIS)

    Vercouter, Thomas; Reiller, Pascal E.; Ansoborlo, Eric; Février, Laureline; Gilbin, Rodolphe; Lomenech, Claire; Philippini, Violaine

    2015-01-01

    Highlights: • The U(VI) speciation in natural waters has been modelled through a modelling exercise. • The results evidence the importance of alkaline earth U(VI) carbonate complexes. • Possible solubility-controlling phases were reported and discussed. • The differences were related to the choice and reliability of thermodynamic data. • Databases need to be improved for reliable U(VI) speciation calculations. - Abstract: Predictive modelling of uranium speciation in natural waters can be achieved using equilibrium thermodynamic data and adequate speciation software. The reliability of such calculations is highly dependent on the equilibrium reactions that are considered as entry data, and the values chosen for the equilibrium constants. The working group “Speciation” of the CETAMA (Analytical methods establishment committee of the French Atomic Energy commission, CEA) has organized a modelling exercise, including four participants, in order to compare modellers’ selections of data and test thermodynamic data bases regarding the calculation of U(VI) inorganic speciation. Six different compositions of model waters were chosen so that to check the importance of ternary alkaline earth carbonate species of U(VI) on the aqueous speciation, and the possible uranium solid phases as solubility-limiting phases. The comparison of the results from the participants suggests (i) that it would be highly valuable for end-users to review thermodynamic constants of ternary carbonate species of U(VI) in a consistent way and implement them in available speciation data bases, and (ii) stresses the necessary care when using data bases to avoid biases and possible erroneous calculations

  8. Ternary fission induced by polarized neutrons

    Directory of Open Access Journals (Sweden)

    Gönnenwein Friedrich

    2013-12-01

    Full Text Available Ternary fission of (e,e U- and Pu- isotopes induced by cold polarized neutrons discloses some new facets of the process. In the so-called ROT effect shifts in the angular distributions of ternary particles relative to the fission fragments show up. In the so-called TRI effect an asymmetry in the emission of ternary particles relative to a plane formed by the fragment momentum and the spin of the neutron appear. The two effects are shown to be linked to the components of angular momentum perpendicular and parallel to the fission axis at the saddle point of fission. Based on theoretical models the spectroscopic properties of the collective transitional states at the saddle point are inferred from experiment.

  9. Determination and thermodynamic modeling of solid–liquid phase equilibrium for 3,5-dichloroaniline in pure solvents and ternary 3,5-dichloroaniline + 1,3,5-trichlorobenzene + toluene system

    International Nuclear Information System (INIS)

    Li, Rongrong; Du, Cunbin; Meng, Long; Han, Shuo; Wang, Jian; Zhao, Hongkun

    2016-01-01

    Highlights: • Solubility of 3,5-dichloroaniline in seven organic solvents were determined. • Solid–liquid phase equilibrium for ternary system was measured. • The binary and ternary phase diagrams were constructed. • The phase diagrams were correlated with thermodynamic models. - Abstract: The solid–liquid phase equilibrium data for 3,5-dichloroaniline in n-propanol, isopropanol, n-butanol, isobutanol, toluene, ethyl acetate and acetone at (283.15 to 308.15) K were determined experimentally by gas chromatography under 101.3 kPa. The solubility of 3,5-dichloroaniline in these solvents decreased according to the following order: ethyl acetate > (acetone, toluene) for the solvents of ethyl acetate, acetone, and toluene; and for the other solvents, (isopropanol, n-butanol) > n-propanol > isobutanol. According to the solubility of 3,5-dichloroaniline in pure solvents, the solid–liquid phase equilibrium for the ternary mixture of 3,5-dichloroaniline + 1,3,5-trichlorobenzene + toluene were measured by using an isothermal saturation method at three temperatures of 283.15, 293.15, and 303.15 K under 101.3 kPa, and the corresponding isothermal phase diagrams were constructed. Two pure solids were formed in the ternary system at a fixed temperature, which were pure 3,5-dichloroaniline and pure 1,3,5-trichlorobenzene and were identified by Schreinemakers’ method of wet residue. The temperature dependence of 3,5-dichloroaniline solubility in pure solvents was correlated by the modified Apelblat equation, λh equation, Wilson model and NRTL model; and the ternary solid–liquid phase equilibrium of 3,5-dichloroaniline + 1,3,5-trichlorobenzene + toluene were described by the Wilson model and NRTL model. Results showed that calculated solubility values with these models agreed well with the experimental ones for the studied binary and ternary systems. The solid–liquid equilibrium and the thermodynamic models for the binary and ternary systems can offer the

  10. The stochastic model for ternary and quaternary alloys: Application of the Bernoulli relation to the phonon spectra of mixed crystals

    Energy Technology Data Exchange (ETDEWEB)

    Marchewka, M., E-mail: marmi@ur.edu.pl; Woźny, M.; Polit, J.; Sheregii, E. M. [Faculty of Mathematics and Natural Sciences, Centre for Microelectronics and Nanotechnology, University of Rzeszów, Pigonia 1, 35-959 Rzeszów (Poland); Kisiel, A. [Institute of Physics, Jagiellonian University, Reymonta 4, Kraków 30-059 (Poland); Robouch, B. V.; Marcelli, A. [INFN-Laboratori Nazionali di Frascati, Via E. Fermi 40, I-00044 Frascati (Italy)

    2014-03-21

    To understand and interpret the experimental data on the phonon spectra of the solid solutions, it is necessary to describe mathematically the non-regular distribution of atoms in their lattices. It appears that such description is possible in case of the strongly stochastically homogenous distribution which requires a great number of atoms and very carefully mixed alloys. These conditions are generally fulfilled in case of high quality homogenous semiconductor solid solutions of the III–V and II–VI semiconductor compounds. In this case, we can use the Bernoulli relation describing probability of the occurrence of one n equivalent event which can be applied, to the probability of finding one from n configurations in the solid solution lattice. The results described in this paper for ternary HgCdTe and GaAsP as well as quaternary ZnCdHgTe can provide an affirmative answer to the question: whether stochastic geometry, e.g., the Bernoulli relation, is enough to describe the observed phonon spectra.

  11. The stochastic model for ternary and quaternary alloys: Application of the Bernoulli relation to the phonon spectra of mixed crystals

    International Nuclear Information System (INIS)

    Marchewka, M.; Woźny, M.; Polit, J.; Sheregii, E. M.; Kisiel, A.; Robouch, B. V.; Marcelli, A.

    2014-01-01

    To understand and interpret the experimental data on the phonon spectra of the solid solutions, it is necessary to describe mathematically the non-regular distribution of atoms in their lattices. It appears that such description is possible in case of the strongly stochastically homogenous distribution which requires a great number of atoms and very carefully mixed alloys. These conditions are generally fulfilled in case of high quality homogenous semiconductor solid solutions of the III–V and II–VI semiconductor compounds. In this case, we can use the Bernoulli relation describing probability of the occurrence of one n equivalent event which can be applied, to the probability of finding one from n configurations in the solid solution lattice. The results described in this paper for ternary HgCdTe and GaAsP as well as quaternary ZnCdHgTe can provide an affirmative answer to the question: whether stochastic geometry, e.g., the Bernoulli relation, is enough to describe the observed phonon spectra

  12. The stochastic model for ternary and quaternary alloys: Application of the Bernoulli relation to the phonon spectra of mixed crystals

    Science.gov (United States)

    Marchewka, M.; Woźny, M.; Polit, J.; Kisiel, A.; Robouch, B. V.; Marcelli, A.; Sheregii, E. M.

    2014-03-01

    To understand and interpret the experimental data on the phonon spectra of the solid solutions, it is necessary to describe mathematically the non-regular distribution of atoms in their lattices. It appears that such description is possible in case of the strongly stochastically homogenous distribution which requires a great number of atoms and very carefully mixed alloys. These conditions are generally fulfilled in case of high quality homogenous semiconductor solid solutions of the III-V and II-VI semiconductor compounds. In this case, we can use the Bernoulli relation describing probability of the occurrence of one n equivalent event which can be applied, to the probability of finding one from n configurations in the solid solution lattice. The results described in this paper for ternary HgCdTe and GaAsP as well as quaternary ZnCdHgTe can provide an affirmative answer to the question: whether stochastic geometry, e.g., the Bernoulli relation, is enough to describe the observed phonon spectra.

  13. True ternary fission of 252Cf

    International Nuclear Information System (INIS)

    Vijayaraghavan, K.R.; Balasubramaniam, M.; Oertzen, W. von

    2014-01-01

    Splitting of heavy radioactive nucleus into three fragments is known as ternary fission. If the size of the fragments are almost equal it is referred to as true ternary fission. Recently, Yu. V. Pyatkov et al observed/reported the experimental observation of true ternary fission in 252 Cf. In this work, the possibilities of different true ternary fission modes of 252 Cf through potential energy surface (PES) calculations based on three cluster model (TCM) are discussed. In TCM a condition on the mass numbers of the fission fragments is implied as A 1 ≥ A 2 ≥ A 3 in order to avoid repetition of combinations. Due to this condition, the values of Z 3 vary from 0 to 36 and Z 2 vary from 16 to 51. Of the different pairs having similar (Z 2 , Z 3 ) with different potential energy, a pair possessing minimum potential energy is chosen. Thus identified favourable combinations are plotted. For the PES calculations the arrangement of the fragments is considered in the order of A 1 +A 2 +A 3 . i.e. the heavy and the lightest fragments are kept at the ends. It is seen that the deepest minimum in the PES occurs for Z 3 =2 labelled as (Z 2 ; 2) indicating He accompanied breakup as the most favourable one. Of which, the breakup with Z 2 around 46 to 48 is the least (shown by dashed (Z 1 = 50) and dotted (Z 1 = 52) lines indicating a constant Z 1 value). The other notable minima in the PES are labelled and they correspond to the (Z 2 , Z 3 ) pairs viz., (20, 20), (28, 20), (28, 28) and (32, 32). Of these four minima, the first three are associated with the magic numbers 20 and 28. For Z 3 =20, there are two minimums at (20,20) and (28,20) among them (28,20) is the lowest minimum through which the minimum-path passes, and it is the ternary decay observed by Yu. V. Pyatkov et al. The fourth minima is the most interesting due to the fact that it corresponds to true ternary fission mode with Z 2 =32, Z 3 =32 and Z 1 =34. The minimum potential energy path also goes through this true

  14. Material Modelling - Composite Approach

    DEFF Research Database (Denmark)

    Nielsen, Lauge Fuglsang

    1997-01-01

    is successfully justified comparing predicted results with experimental data obtained in the HETEK-project on creep, relaxation, and shrinkage of very young concretes cured at a temperature of T = 20^o C and a relative humidity of RH = 100%. The model is also justified comparing predicted creep, shrinkage......, and internal stresses caused by drying shrinkage with experimental results reported in the literature on the mechanical behavior of mature concretes. It is then concluded that the model presented applied in general with respect to age at loading.From a stress analysis point of view the most important finding...... in this report is that cement paste and concrete behave practically as linear-viscoelastic materials from an age of approximately 10 hours. This is a significant age extension relative to earlier studies in the literature where linear-viscoelastic behavior is only demonstrated from ages of a few days. Thus...

  15. Positron annihilation lifetime study of interfaces in ternary polymer blends

    International Nuclear Information System (INIS)

    Meghala, D; Ramya, P; Pasang, T; Raj, J M; Ranganathaiah, C; Williams, J F

    2013-01-01

    A new method based on positron lifetime spectroscopy is developed to characterize individual interfaces in ternary polymer blends and hence determine the composition dependent miscibility level. The method owes its origin to the Kirkwood-Risemann-Zimm (KRZ) model for the evaluation of the hydrodynamic interaction parameters (α ij ) which was used successfully for a binary blend with a single interface. The model was revised for the present work for ternary polymer blends to account for three interfaces. The efficacy of this method is shown for two ternary blends namely poly(styrene-co-acrylonitrile)/poly (ethylene-co-vinylacetate)/poly(vinyl chloride) (SAN/EVA/PVC) and polycaprolactone /poly(styrene-co-acrylonitrile)/poly(vinyl chloride) (PCL/SAN/PVC) at different compositions. An effective hydrodynamic interaction parameter, α eff , was introduced to predict the overall miscibility of ternary blends.

  16. Preparation, in-vitro and in-vivo evaluation of spray-dried ternary solid dispersion of biopharmaceutics classification system class II model drug.

    Science.gov (United States)

    Paidi, Sharan K; Jena, Sunil K; Ahuja, Bhupesh K; Devasari, Naresh; Suresh, Sarasija

    2015-05-01

    The objective of this study was to investigate the impact of a novel spray-dried ternary solid dispersion (TSD) on the dissolution rate and bioavailability of a biopharmaceutics classification system (BCS) class II model drug, atorvastatin calcium trihydrate (ATC), and evaluate its in-vitro and in-vivo performance. TSD of ATC was prepared by spray-drying method employing ethanol/water solvent systems. The TSD formulations, composed of hydroxypropyl methylcellulose (HPMC E5) and nicotinamide, were optimized by rotatable central composite design. Physicochemical characterization along with dissolution, stability and pharmacokinetic study of optimized TSD was evaluated. The optimized TSD was found to be amorphous with spherical shape morphology. It exhibited a fourfold increase in dissolution rate in comparison to ATC, with a considerable enhancement in oral bioavailability (relative bioavailability of 134.11%). Physicochemical characterization and dissolution study of optimized TSD at the end of stability studies clearly indicated that the stability of optimized TSD was due to hydrogen bonding between drug and HPMC E5 and nicotinamide. This bonding remained unaffected even under stressful conditions of high temperature and humidity. The TSD exhibits a significant increase in dissolution rate, and for this reason should be useful as an efficacious tool to enhance the bioavailability of BCS class II drug molecule, ATC. © 2015 Royal Pharmaceutical Society.

  17. Application of ERAS-model and Prigogine-Flory-Patterson theory to excess molar volumes for ternary mixtures of (2-chlorobutane + butylacetate + isobutanol) at T = 298.15 K

    International Nuclear Information System (INIS)

    Khanlarzadeh, K.; Iloukhani, H.

    2011-01-01

    Highlights: → Density of ternary and three binary mixtures of (2-chlorobutane + butylacetate + isobutanol) determined. → Excess molar volume, partial molar volume and apparent molar volume were calculated. → Excess molar volume was correlated as a function of mole fraction by using the Redlich-Kister and Cibulka equation for all mixtures. → The experimental results have been used to test the applicability of the ERAS-model and PFP theory. - Abstract: Densities of the ternary mixture consisting of {2-chlorobutane (1) + butylacetate (2) + isobutanol (3)} and related binary mixtures were measured over the whole range of composition at T = 298.15 K and ambient pressure. Excess molar volumes V m E for the mixtures were derived and correlated as a function of mole fraction by using the Redlich-Kister and the Cibulka equations for binary and ternary mixtures, respectively. From the experimental data, partial molar volumes, V-bar m,i excess partial molar volumes, V-bar i E partial molar volumes at infinite dilution V-bar m,i 0 and apparent molar volumes V-bar φ,i were also calculated. For all binary mixtures over the entire range of mole fractions V m E data are positive. The experimental results of the constituted binary mixtures have been used to test the applicability of the extended real associated solution (ERAS-model) and Prigogine-Flory-Paterson (PFP) theory.

  18. New ternary superconducting germanides

    Science.gov (United States)

    Moschalkov, V. V.; Muttik, I. G.; Samarin, N. A.; Seropegin, Yu. D.; Rudometkina, M. V.

    1991-12-01

    We have studied the structure, electrical and magnetic properties of new ternary compounds with germanium and transition metals of IV and V groups (Ti 0.7V 0.3Ge 3, Hf 2V 3Ge, Zr 32-36V 32-36Ge 30-32, Hf 2Nb 3Ge 4, HfVGe, Zr 15-17V 39-40Ge 44-45, Hf 10.8-21.7V 36.0-42.8). The homogeneity fields for all new phases are determined. Resistivity (T) and magnetic susceptibility χ(T) are investigated at T=4.2…300 K. Two new superconductors have been found - Zr 32-36V 32-36Ge 30-32 and HfVGe with T c=4.7 K and 5.7 K, respectively.

  19. Equilibrium study for ternary mixtures of biodiesel

    Science.gov (United States)

    Doungsri, S.; Sookkumnerd, T.; Wongkoblap, A.; Nuchitprasittichai, A.

    2017-11-01

    The liquid-liquid equilibrium (LLE) data for the ternary mixtures of methanol + fatty acid methyl ester (FAME) + palm oil and FAME + palm oil + glycerol at various temperatures from 35 to 55°C, the tie lines and binodial curves were also investigated and plotted in the equilibrium curve. The experimental results showed that the binodial curves of methanol + FAME + palm oil depended significantly with temperature while the binodial curves of FAME + palm oil + glycerol illustrated insignificant change with temperatures. The interaction parameters between liquid pair obtained for NRTL (Nonrandom Two-Liquid) and UNIQUAC (Universal Quasi-Chemical Theory) models from the experimental data were also investigated. It was found that the correlated parameters of UNIQUAC model for system of FAME + palm oil + glycerol, denoted as a13 and a31, were 580.42K and -123.69K, respectively, while those for system of methanol + FAME + palm oil, denoted as a42 and a24, were 71.48 K and 965.57K, respectively. The ternary LLE data reported here would be beneficial for engineers and scientists to use for prediction of yield and purity of biodiesel for the production. The UNIQUAC model agreed well with the experimental data of ternary mixtures of biodiesel.

  20. Spectroscopic and nano-molecular modeling investigation on the binary and ternary bindings of colchicine and lomefloxacin to Human serum albumin with the viewpoint of multi-drug therapy

    International Nuclear Information System (INIS)

    Chamani, J.; Asoodeh, A.; Homayoni-Tabrizi, M.; Amiri Tehranizadeh, Z.; Baratian, A.; Saberi, M.R.; Gharanfoli, M.

    2010-01-01

    Combination of several drugs is often necessary especially during long-term therapy. The competitive binding drugs can cause a decrease in the amount of drug bound to protein and increase the biological active fraction of the drug. The aim of this study is to analyze the interactions of Lomefloxacin (LMF) and Colchicine (COL) with human serum albumin (HSA) and to evaluate the mechanism of simultaneous binding of LMF and COL to protein. Fluorescence analysis was used to estimate the effect of drugs on the protein fluorescence and to define the binding and quenching properties of drugs-HSA complexes. The binding sites for LMF and COL were identified in tertiary structure of HSA with the use of spectrofluorescence analysis. The analysis of fluorescence quenching of HSA in the binary and ternary systems show that LMF does not affect the complex formed between COL and HSA. On the contrary, COL decreases the interaction between LMF and HSA. The results of synchronous fluorescence, resonance light scattering and circular dichroism spectra of binary and ternary systems show that binding of LMF and COL to HSA can induce micro-environmental and conformational changes in HSA. The simultaneous presence of LMF and COL in binding to HSA should be taken into account in the multi-drug therapy, and necessity of using a monitoring therapy owning to the possible increase of the uncontrolled toxic effects. Molecular modeling of the possible binding sites of LMF and COL in binary and ternary systems to HSA confirms the spectroscopic results.

  1. Hardware emulation of Memristor based Ternary Content Addressable Memory

    KAUST Repository

    Bahloul, Mohamed A.

    2017-12-13

    MTCAM (Memristor Ternary Content Addressable Memory) is a special purpose storage medium in which data could be retrieved based on the stored content. Using Memristors as the main storage element provides the potential of achieving higher density and more efficient solutions than conventional methods. A key missing item in the validation of such approaches is the wide spread availability of hardware emulation platforms that can provide reliable and repeatable performance statistics. In this paper, we present a hardware MTCAM emulation based on 2-Transistors-2Memristors (2T2M) bit-cell. It builds on a bipolar memristor model with storing and fetching capabilities based on the actual current-voltage behaviour. The proposed design offers a flexible verification environment with quick design revisions, high execution speeds and powerful debugging techniques. The proposed design is modeled using VHDL and prototyped on Xilinx Virtex® FPGA.

  2. Hardware emulation of Memristor based Ternary Content Addressable Memory

    KAUST Repository

    Bahloul, Mohamed A.; Naous, Rawan; Masmoudi, M.

    2017-01-01

    MTCAM (Memristor Ternary Content Addressable Memory) is a special purpose storage medium in which data could be retrieved based on the stored content. Using Memristors as the main storage element provides the potential of achieving higher density and more efficient solutions than conventional methods. A key missing item in the validation of such approaches is the wide spread availability of hardware emulation platforms that can provide reliable and repeatable performance statistics. In this paper, we present a hardware MTCAM emulation based on 2-Transistors-2Memristors (2T2M) bit-cell. It builds on a bipolar memristor model with storing and fetching capabilities based on the actual current-voltage behaviour. The proposed design offers a flexible verification environment with quick design revisions, high execution speeds and powerful debugging techniques. The proposed design is modeled using VHDL and prototyped on Xilinx Virtex® FPGA.

  3. Charge distribution in the ternary fragmentation of {sup 252}Cf

    Energy Technology Data Exchange (ETDEWEB)

    Senthil Kannan, M.T.; Balasubramaniam, M. [Bharathiar University, Department of Physics, Coimbatore (India)

    2017-08-15

    We present here, for the first time, a study on ternary fragmentation charge distribution of {sup 252}Cf using the convolution integral method and the statistical theory. The charge distribution for all possible charge combinations of a ternary breakup are grouped as a bin containing different mass partitions. Different bins corresponding to various third fragments with mass numbers from A{sub 3} = 16 to 84 are identified with the available experimental masses. The corresponding potential energy surfaces are calculated using the three cluster model for the two arrangements A{sub 1} + A{sub 2} + A{sub 3} and A{sub 1} + A{sub 3} + A{sub 2}. The ternary fragmentation yield values are calculated for the ternary combination from each bin possessing minimum potential energy. The yields of the resulting ternary combinations as a function of the charge numbers of the three fragments are analyzed for both the arrangements. The calculations are carried out at different excitation energies of the parent nucleus. For each excitation energy the temperature of the three fragments are iteratively computed conserving the total energy. The distribution of fragment temperatures corresponding to different excitation energies for some fixed third fragments are discussed. The presence of the closed shell nucleus Sn in the favourable ternary fragmentation is highlighted. (orig.)

  4. Experimental data and thermodynamic modeling of ternary aqueous biphasic systems of EO/PO polymers–Na2SO4–H2O

    NARCIS (Netherlands)

    Milosevic, M.; Staal, K.J.J.; Schuur, Boelo; de Haan, A.B.

    2014-01-01

    Liquid–liquid extraction using thermoresponsive polymers as solvents in aqueous two phase systems followed by induced phase separation to recover the polymers is a potential technology for water–salt separations. Here we report for seven polymers on their ternary systems containing water, sodium

  5. Phase Equilibrium Measurements and Modeling of 1-Propanethiol+1-Butanethiol + CH4 in Methane Ternary System at 303, 336, and 368 K and Pressure Up to 9 MPa

    DEFF Research Database (Denmark)

    Awan, Javeed A.; Coquelet, Christophe; Tsivintzelis, Ioannis

    2016-01-01

    New vapor-liquid equilibrium (VLE) data for 1-propanethiol + 1-butanethiol + CH4 ternary system is reported. Measurements were performed at three different temperatures (303, 336, and 368 K), and the pressure ranged from 1 to 9 MPa. The total system pressure was maintained by CH4. The inlet mole...

  6. Evaporator modeling - A hybrid approach

    International Nuclear Information System (INIS)

    Ding Xudong; Cai Wenjian; Jia Lei; Wen Changyun

    2009-01-01

    In this paper, a hybrid modeling approach is proposed to model two-phase flow evaporators. The main procedures for hybrid modeling includes: (1) Based on the energy and material balance, and thermodynamic principles to formulate the process fundamental governing equations; (2) Select input/output (I/O) variables responsible to the system performance which can be measured and controlled; (3) Represent those variables existing in the original equations but are not measurable as simple functions of selected I/Os or constants; (4) Obtaining a single equation which can correlate system inputs and outputs; and (5) Identify unknown parameters by linear or nonlinear least-squares methods. The method takes advantages of both physical and empirical modeling approaches and can accurately predict performance in wide operating range and in real-time, which can significantly reduce the computational burden and increase the prediction accuracy. The model is verified with the experimental data taken from a testing system. The testing results show that the proposed model can predict accurately the performance of the real-time operating evaporator with the maximum error of ±8%. The developed models will have wide applications in operational optimization, performance assessment, fault detection and diagnosis

  7. Thermodynamic modeling of ternary and quaternary (liquid + liquid) systems containing water, FeCl3, HCl and diisopropyl ether

    NARCIS (Netherlands)

    Milosevic, M.; Hendriks, I.; Smits, R.E.R.; Schuur, B.; Haan, de A.B.

    2013-01-01

    Liquid–liquid extraction using ethers as solvents is a potentially energy saving alternative for the concentration of aqueous ferric chloride solutions. Adequate thermodynamic models that describe the behavior of the resulting quaternary systems (FeCl3, ether, acid and water) are not available in

  8. Experimental determination and modeling of the solubility phase diagram of the ternary system (Li{sub 2}SO{sub 4} + K{sub 2}SO{sub 4} + H{sub 2}O) at 288.15 K

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Shiqiang, E-mail: wangshiqiang@tust.edu.cn [Tianjin Key Laboratory of Marine Resources and Chemistry, College of Marine Science and Engineering, Tianjin University of Science and Technology, Tianjin 300457 (China); Guo, Yafei [Tianjin Key Laboratory of Marine Resources and Chemistry, College of Marine Science and Engineering, Tianjin University of Science and Technology, Tianjin 300457 (China); Li, Dongchan [Engineering Research Center of Seawater Utilization Technology of Ministry of Education, Hebei University of Technology, Tianjin 300130 (China); Tang, Peng; Deng, Tianlong [Tianjin Key Laboratory of Marine Resources and Chemistry, College of Marine Science and Engineering, Tianjin University of Science and Technology, Tianjin 300457 (China)

    2015-02-10

    Highlights: • Solubility of the ternary system Li{sub 2}SO{sub 4} + K{sub 2}SO{sub 4} + H{sub 2}O at 288.15 K has been measured. • Phase diagram of this system was simulated and calculated by a thermodynamic model. • Li{sub 2}SO{sub 4}·K{sub 2}SO{sub 4} belongs to the incongruent double salt in this system. • Solution density was calculated using empirical equation. - Abstract: The solubility and density in the thermodynamic phase equilibria ternary system (Li{sub 2}SO{sub 4} + K{sub 2}SO{sub 4} + H{sub 2}O) at 288.15 K and 0.1 MPa were investigated experimentally with the method of isothermal dissolution equilibrium. This system at 288.15 K consists of two invariant points, three univariant isothermal dissolution curves; and three crystallization regions. The salt Li{sub 2}SO{sub 4}·K{sub 2}SO{sub 4} belongs to the incongruent double salt, and no solid solution was found. Based on the Pitzer model and its extended Harvie–Weare (HW) model, the mixing ion-interaction parameters of θ{sub Li,K}, ψ{sub Li,K,SO4} at 288.15 K and the solubility equilibrium constants K{sub sp} of solid phases Li{sub 2}SO{sub 4}·H{sub 2}O and Li{sub 2}SO{sub 4}·K{sub 2}SO{sub 4}, which are not reported in the literature were acquired. A comparison between the calculated and experimental results at 288.15 K for the ternary system shows that the calculated solubilities obtained with the extended HW model agree well with experimental data.

  9. Liquid-liquid equilibria for binary and ternary systems containing glycols, aromatic hydrocarbons, and water: Experimental measurements and modeling with the CPA EoS

    DEFF Research Database (Denmark)

    Folas, Georgios; Kontogeorgis, Georgios; Michelsen, Michael Locht

    2006-01-01

    Liquid-liquid equilibrium data of four binary glycol + aromatic hydrocarbon systems and three ternary systems containing water have been measured at atmospheric pressure. The measured systems are monoethylene glycol (MEG) + benzene or toluene, triethylene glycol (TEG) + benzene or toluene, MEG...... + water + benzene, MEG + water + toluene, and TEG + water + toluene. The binary systems are correlated with the Cubic-Plus-Association (CPA) equation of state while the ternary systems are predicted from interaction parameters obtained from the binary systems. Very satisfactory liquid-liquid equilibrium...... correlations are obtained for the binary systems using temperature-independent interaction parameters, while adequate predictions are achieved for multicomponent water + glycol + aromatic hydrocarbons systems when accounting for the solvation between the aromatic hydrocarbons and glycols or water....

  10. Ternary Weighted Function and Beurling Ternary Banach Algebra l1ω(S

    Directory of Open Access Journals (Sweden)

    Mehdi Dehghanian

    2011-01-01

    Full Text Available Let S be a ternary semigroup. In this paper, we introduce our notation and prove some elementary properties of a ternary weight function ω on S. Also, we make ternary weighted algebra l1ω(S and show that l1ω(S is a ternary Banach algebra.

  11. Fracture mechanics and statistical modeling of ternary blends of polylactide/ethylene-acrylate copolymer /wood-flour composites

    Science.gov (United States)

    Afrifah, Kojo Agyapong

    This study examined the mechanisms of toughening the brittle bio-based poly(lactic acid) (PLA) with a biodegradable rubbery impact modifier to develop biodegradable and cost effective PLA/wood-flour composites with improved impact strength, toughness, high ductility, and flexibility. Semicrystalline and amorphous PLA grades were impact modified by melt blending with an ethylene-acrylate copolymer (EAC) impact modifier. EAC content was varied to study the effectiveness and efficiency of the impact modifier in toughening the semicrystalline and amorphous grades of the PLA. Impact strength was used to assess the effectiveness and efficiency of the EAC in toughening the blends, whereas the toughening mechanisms were determined with the phase morphologies and the miscibilities of the blends. Subsequent tensile property analyses were performed on the most efficiently toughened PLA grade. Composites were made from PLA, wood flour of various particle sizes, and EAC. Using two-level factorial design the interaction between wood flour content, wood flour particle size, and EAC content and its effect on the mechanical properties of the PLA/wood-flour composites was statistically studied. Numerical optimization was also performed to statistically model and optimize material compositions to attain mechanical properties for the PLA/wood-flour composites equivalent to at least those of unfilled PLA. The J-integral method of fracture mechanics was applied to assess the crack initiation (Jin) and complete fracture (J f) energies of the composites to account for imperfections in the composites and generate data useful for engineering designs. Morphologies of the fractured surfaces of the composites were analyzed to elucidate the failure and toughening mechanisms of the composites. The EAC impact modifier effectively improved the impact strength of the PLA/EAC blends, regardless of the PLA type. However, the EAC was more efficient in the semicrystalline grades of PLA compared to the

  12. HEDR modeling approach: Revision 1

    International Nuclear Information System (INIS)

    Shipler, D.B.; Napier, B.A.

    1994-05-01

    This report is a revision of the previous Hanford Environmental Dose Reconstruction (HEDR) Project modeling approach report. This revised report describes the methods used in performing scoping studies and estimating final radiation doses to real and representative individuals who lived in the vicinity of the Hanford Site. The scoping studies and dose estimates pertain to various environmental pathways during various periods of time. The original report discussed the concepts under consideration in 1991. The methods for estimating dose have been refined as understanding of existing data, the scope of pathways, and the magnitudes of dose estimates were evaluated through scoping studies

  13. Completed Local Ternary Pattern for Rotation Invariant Texture Classification

    Directory of Open Access Journals (Sweden)

    Taha H. Rassem

    2014-01-01

    Full Text Available Despite the fact that the two texture descriptors, the completed modeling of Local Binary Pattern (CLBP and the Completed Local Binary Count (CLBC, have achieved a remarkable accuracy for invariant rotation texture classification, they inherit some Local Binary Pattern (LBP drawbacks. The LBP is sensitive to noise, and different patterns of LBP may be classified into the same class that reduces its discriminating property. Although, the Local Ternary Pattern (LTP is proposed to be more robust to noise than LBP, however, the latter’s weakness may appear with the LTP as well as with LBP. In this paper, a novel completed modeling of the Local Ternary Pattern (LTP operator is proposed to overcome both LBP drawbacks, and an associated completed Local Ternary Pattern (CLTP scheme is developed for rotation invariant texture classification. The experimental results using four different texture databases show that the proposed CLTP achieved an impressive classification accuracy as compared to the CLBP and CLBC descriptors.

  14. Adiabatic pipelining: a key to ternary computing with quantum dots

    Science.gov (United States)

    Pečar, P.; Ramšak, A.; Zimic, N.; Mraz, M.; Lebar Bajec, I.

    2008-12-01

    The quantum-dot cellular automaton (QCA), a processing platform based on interacting quantum dots, was introduced by Lent in the mid-1990s. What followed was an exhilarating period with the development of the line, the functionally complete set of logic functions, as well as more complex processing structures, however all in the realm of binary logic. Regardless of these achievements, it has to be acknowledged that the use of binary logic is in computing systems mainly the end result of the technological limitations, which the designers had to cope with in the early days of their design. The first advancement of QCAs to multi-valued (ternary) processing was performed by Lebar Bajec et al, with the argument that processing platforms of the future should not disregard the clear advantages of multi-valued logic. Some of the elementary ternary QCAs, necessary for the construction of more complex processing entities, however, lead to a remarkable increase in size when compared to their binary counterparts. This somewhat negates the advantages gained by entering the ternary computing domain. As it turned out, even the binary QCA had its initial hiccups, which have been solved by the introduction of adiabatic switching and the application of adiabatic pipeline approaches. We present here a study that introduces adiabatic switching into the ternary QCA and employs the adiabatic pipeline approach to successfully solve the issues of elementary ternary QCAs. What is more, the ternary QCAs presented here are sizewise comparable to binary QCAs. This in our view might serve towards their faster adoption.

  15. Adiabatic pipelining: a key to ternary computing with quantum dots

    International Nuclear Information System (INIS)

    Pecar, P; Zimic, N; Mraz, M; Lebar Bajec, I; Ramsak, A

    2008-01-01

    The quantum-dot cellular automaton (QCA), a processing platform based on interacting quantum dots, was introduced by Lent in the mid-1990s. What followed was an exhilarating period with the development of the line, the functionally complete set of logic functions, as well as more complex processing structures, however all in the realm of binary logic. Regardless of these achievements, it has to be acknowledged that the use of binary logic is in computing systems mainly the end result of the technological limitations, which the designers had to cope with in the early days of their design. The first advancement of QCAs to multi-valued (ternary) processing was performed by Lebar Bajec et al, with the argument that processing platforms of the future should not disregard the clear advantages of multi-valued logic. Some of the elementary ternary QCAs, necessary for the construction of more complex processing entities, however, lead to a remarkable increase in size when compared to their binary counterparts. This somewhat negates the advantages gained by entering the ternary computing domain. As it turned out, even the binary QCA had its initial hiccups, which have been solved by the introduction of adiabatic switching and the application of adiabatic pipeline approaches. We present here a study that introduces adiabatic switching into the ternary QCA and employs the adiabatic pipeline approach to successfully solve the issues of elementary ternary QCAs. What is more, the ternary QCAs presented here are sizewise comparable to binary QCAs. This in our view might serve towards their faster adoption.

  16. Adiabatic pipelining: a key to ternary computing with quantum dots.

    Science.gov (United States)

    Pečar, P; Ramšak, A; Zimic, N; Mraz, M; Lebar Bajec, I

    2008-12-10

    The quantum-dot cellular automaton (QCA), a processing platform based on interacting quantum dots, was introduced by Lent in the mid-1990s. What followed was an exhilarating period with the development of the line, the functionally complete set of logic functions, as well as more complex processing structures, however all in the realm of binary logic. Regardless of these achievements, it has to be acknowledged that the use of binary logic is in computing systems mainly the end result of the technological limitations, which the designers had to cope with in the early days of their design. The first advancement of QCAs to multi-valued (ternary) processing was performed by Lebar Bajec et al, with the argument that processing platforms of the future should not disregard the clear advantages of multi-valued logic. Some of the elementary ternary QCAs, necessary for the construction of more complex processing entities, however, lead to a remarkable increase in size when compared to their binary counterparts. This somewhat negates the advantages gained by entering the ternary computing domain. As it turned out, even the binary QCA had its initial hiccups, which have been solved by the introduction of adiabatic switching and the application of adiabatic pipeline approaches. We present here a study that introduces adiabatic switching into the ternary QCA and employs the adiabatic pipeline approach to successfully solve the issues of elementary ternary QCAs. What is more, the ternary QCAs presented here are sizewise comparable to binary QCAs. This in our view might serve towards their faster adoption.

  17. Refinement of the Al-rich part of the Al–Cu–Re phase diagram and atomic model of the ternary Al{sub 6.2}Cu{sub 2}Re phase

    Energy Technology Data Exchange (ETDEWEB)

    Samuha, S. [Department of Materials Engineering, Ben Gurion University of the Negev, Beer Sheva 84105 (Israel); NRCN, P.O. Box 9001, Beer Sheva 84190 (Israel); Grushko, B. [MaTecK, Jülich D 52428 (Germany); PGI-5, Forschungszentrum Jülich, Jülich D 52425 (Germany); Meshi, L., E-mail: Louisa@bgu.ac.il [Department of Materials Engineering, Ben Gurion University of the Negev, Beer Sheva 84105 (Israel); Ilse Katz Institute for Nanoscale Science & Technology, Ben Gurion University of the Negev, Beer Sheva 84105 (Israel)

    2016-06-15

    Partial isothermal sections at 800, 650 and 590 °C were constructed for an Al-rich compositional range of Al–Cu–Re. The maximal solubility of Cu in the Al{sub 11}Re{sub 4}, h-Al{sub 4}Re and l-Al{sub 4}Re phases was found to be ∼6, 4.5, and 2.3 at% respectively, while the solubility of Re in the Al–Cu θ, η{sub 1} and ε{sub 2} phases was below 0.5 at%. Below 740 °C, a ternary hexagonal phase (P6{sub 3}, a = 1.1029 and c = 1.2746 nm) is formed in a small compositional range close to Al{sub 65}Cu{sub 25}Re{sub 10}. Its structural model was deduced by direct methods applied on the precession electron diffraction tomography data. - Highlights: • Al–Cu–Re was studied at 540–1030 °C up to 25 at% Re and 60 at% Cu. • Al{sub 11}Re{sub 4}, h-Al{sub 4}Re and l-Al{sub 4}Re dissolve 6, 4.5 and 2.3 at% Cu, respectively. • Earlier reported ternary compound Al{sub 8}CuRe was not confirmed. • Earlier reported ternary compound Al{sub 7}Cu{sub 2}Re is probably Al{sub 6.2}Cu{sub 2}Re. • Crystal structure of hexagonal Al{sub 6.2}Cu{sub 2}Re was solved.

  18. Thermodynamic evaluation of the Ti-Al-O ternary system

    International Nuclear Information System (INIS)

    Lee, B.-J.

    1997-01-01

    A thermodynamic evaluation of the Ti-Al-O ternary system has been made by using thermodynamic models for the Gibbs energy of individual phases. A consistent model parameter set was determined so that the calculation of isothermal sections and other thermodynamic quantities becomes possible. The agreement between calculation and corresponding experimental data was generally good along large temperature and composition range. (orig.)

  19. True ternary fission in 310126X

    International Nuclear Information System (INIS)

    Banupriya, B.; Vijayaraghavan, K.R.; Balasubramaniam, M.

    2015-01-01

    All possible combinations are minimized by the two dimensional minimization process and minimized with respect to neutron numbers and proton numbers of the fragments. Potential energy is low and Q - value is high at true ternary fission region. It shows that true ternary mode is the dominant mode in the ternary fission of superheavy nuclei. Also, the results show that the fragments with neutron magic numbers are the dominant one in the ternary fission of superheavy nuclei whereas the fragments with proton magic numbers are the dominant one in the ternary fission of heavy nuclei

  20. Theoretical study of physical properties and oxygen incorporation effect in nanolaminated ternary carbides 211-MAX phases

    KAUST Repository

    Kanoun, Mohammed; Goumri-Said, Souraya

    2012-01-01

    In this chapter, we employ ab initio approaches to review some important physical properties of nanolaminated ternary carbides MAX phases. We fi rstly use an all electron full-potential linearized augmented plane-wave method within the generalized

  1. Special quasirandom structures for binary/ternary group IV random alloys

    KAUST Repository

    Chroneos, Alexander I.; Jiang, Chao; Grimes, Robin W.; Schwingenschlö gl, Udo

    2010-01-01

    Simulation of defect interactions in binary/ternary group IV semiconductor alloys at the density functional theory level is difficult due to the random distribution of the constituent atoms. The special quasirandom structures approach is a

  2. Equiaxed and columnar dendrite growth simulation in Al-7Si- Mg ternary alloys using cellular automaton method

    International Nuclear Information System (INIS)

    Chen, Rui; Xu, Qingyan; Liu, Baicheng

    2015-01-01

    In this paper, a modified cellular automaton (MCA) model allowing for the prediction of dendrite growth of Al-Si-Mg ternary alloys in two and three dimensions is presented. The growth kinetic of S/L interface is calculated based on the solute equilibrium approach. In order to describe the dendrite growth with arbitrarily crystallographic orientations, this model introduces a modified decentered octahedron algorithm for neighborhood tracking to eliminate the effect of mesh dependency on dendrite growth. The thermody namic and kinetic data needed for dendrite growth is obtained through coupling with Pandat software package in combination with thermodynamic/kinetic/equilibrium phase diagram calculation databases. The effect of interactions between various alloying elements on solute diffusion coefficient is considered in the model. This model has first been used to simulate Al-7Si (weight percent) binary dendrite growth followed by a validation using theoretical predictions. For ternary alloy, Al-7Si-0.5Mg dendrite simulation has been carried out and the effects of solute interactions on diffusion matrix as well as the differences of Si and Mg in solute distribution have been analyzed. For actual application, this model has been applied to simulate the equiaxed dendrite growth with various crystallographic orientations of Al-7Si-0.36Mg ternary alloy, and the predicted secondary dendrite arm spacing (SDAS) shows a reasonable agreement with the experimental ones. Furthermore, the columnar dendrite growth in directional solidification has also been simulated and the predicted primary dendrite arm spacing (PDAS) is in good agreement with experiments. The simulated results effectively demonstrate the abilities of the model in prediction of dendritic microstructure of Al-Si-Mg ternary alloy. (paper)

  3. Equiaxed and columnar dendrite growth simulation in Al-7Si- Mg ternary alloys using cellular automaton method

    Science.gov (United States)

    Chen, Rui; Xu, Qingyan; Liu, Baicheng

    2015-06-01

    In this paper, a modified cellular automaton (MCA) model allowing for the prediction of dendrite growth of Al-Si-Mg ternary alloys in two and three dimensions is presented. The growth kinetic of S/L interface is calculated based on the solute equilibrium approach. In order to describe the dendrite growth with arbitrarily crystallographic orientations, this model introduces a modified decentered octahedron algorithm for neighborhood tracking to eliminate the effect of mesh dependency on dendrite growth. The thermody namic and kinetic data needed for dendrite growth is obtained through coupling with Pandat software package in combination with thermodynamic/kinetic/equilibrium phase diagram calculation databases. The effect of interactions between various alloying elements on solute diffusion coefficient is considered in the model. This model has first been used to simulate Al-7Si (weight percent) binary dendrite growth followed by a validation using theoretical predictions. For ternary alloy, Al-7Si-0.5Mg dendrite simulation has been carried out and the effects of solute interactions on diffusion matrix as well as the differences of Si and Mg in solute distribution have been analyzed. For actual application, this model has been applied to simulate the equiaxed dendrite growth with various crystallographic orientations of Al-7Si-0.36Mg ternary alloy, and the predicted secondary dendrite arm spacing (SDAS) shows a reasonable agreement with the experimental ones. Furthermore, the columnar dendrite growth in directional solidification has also been simulated and the predicted primary dendrite arm spacing (PDAS) is in good agreement with experiments. The simulated results effectively demonstrate the abilities of the model in prediction of dendritic microstructure of Al-Si-Mg ternary alloy.

  4. Solubility of clonazepam and diazepam in binary and ternary mixtures of polyethylene glycols 400 or 600, propylene glycol and water at 298.2K - experimental data and modeling

    Directory of Open Access Journals (Sweden)

    Bastami Zahra

    2014-01-01

    Full Text Available Experimental molar solubilities of clonazepam and diazepam in binary and ternary mixtures of polyethylene glycols (PEGs 400 or 600, propylene glycol (PG and water (138 data points along with the density of the saturated solutions at 298.2K were reported. The Jouyban-Acree model was used to fit to the measurements for providing a computational method. Employing the solubilities in the mono-solvents, the measured solubilities in mixed solvents were back-calculated and the overall mean percentage deviations (OMPDs of the model were 16.0 % and 19.2% for diazepam and clonazepam, respectively. Addition of the Hansen solubility parameters to the model helps us to train all the data sets (clonazepam and diazepam at once and the back-calculated OMPD for this analysis was 19.3%.

  5. Ternary particles with extreme N/Z ratios from neutron-induced fission

    International Nuclear Information System (INIS)

    Koster, U.; Faust, H.; Friedrichs, T.; Oberstedt, S.; Fioni, G.; Grob, M.; Ahmad, I. J.; Devlin, M.; Heinz, A.; Kondev, F. G.; Lauritsen, T.; Sarantites, D. G.; Siem, S.; Sobotka, L. G.; Sonzogni, A.

    2000-01-01

    The existing ternary fission models can well reproduce the yields of the most abundant light charged particles. However, these models tend to significantly overestimate the yields of ternary particles with an extreme N/Z ratio: 3 He, 11 Li, 14 Be, etc. The experimental yields of these isotopes were investigated with the recoil separator LOHENGRIN down to a level of 10 -10 per fission. Results from the fissioning systems 233 U (n th , f), 235 U(n th ,f), 239 Pu(n th ,f) 241 Pu(n th ,f) and 245 Cm(n th ,f) are presented and the implications for the ternary fission models are discussed

  6. A Bayesian approach to model uncertainty

    International Nuclear Information System (INIS)

    Buslik, A.

    1994-01-01

    A Bayesian approach to model uncertainty is taken. For the case of a finite number of alternative models, the model uncertainty is equivalent to parameter uncertainty. A derivation based on Savage's partition problem is given

  7. Calculation of Fe–B–V ternary phase diagram

    International Nuclear Information System (INIS)

    Homolová, Viera; Kroupa, Aleš; Výrostková, Anna

    2012-01-01

    Highlights: ► Phase diagram of Fe–B–V system was modelled by CALPHAD method. ► Database for thermodynamic calculations for Fe–B–V system was created. ► The new ternary phase was found in 67Fe–18B–15V [in at.%] alloy. - Abstract: The phase equilibria of the Fe–B–V ternary system are studied experimentally and theoretically in this paper. Phase diagram of the system was modelled by CALPHAD method. Boron was modelled as an interstitial element in the FCC and BCC solid solutions. The calculations of isothermal sections of phase diagram are compared with our experimental results at 903 and 1353 K and with available literature experimental data. New ternary phase (with chemical composition 28Fe32V40B in at.%) was found in 67Fe–18B–15V alloy [in at.%]. Further experimental studies for the determination of exact nature of the ternary phase including crystallographic information are necessary.

  8. Segregation in ternary alloys: an interplay of driving forces

    International Nuclear Information System (INIS)

    Luyten, J.; Helfensteyn, S.; Creemers, C.

    2003-01-01

    Monte Carlo (MC) simulations combined with the constant bond energy (CBE) model are set up to explore and understand the general segregation behaviour in ternary alloys as a function of composition and more in particular the segregation to Cu-Ni-Al (1 0 0) surfaces. Besides its simplicity, allowing swift simulations, which are necessary for a first general survey over all possible compositions, one of the advantages of the CBE model lies in the possibility to clearly identify the different driving forces for segregation. All simulations are performed in the Grand Canonical Ensemble, using a new algorithm to determine the chemical potential of the components. Notwithstanding the simplicity of the CBE model, one extra feature is evidenced: depending on the values of the interatomic interaction parameters, in some regions of the ternary diagram, a single solid solution becomes thermodynamically unstable, leading to demixing into two conjugate phases. The simulations are first done for three hypothetical systems that are however representative for real alloy systems. The three systems are characterised by different sets of interatomic interaction parameters. These extensive simulations over the entire composition range of the ternary alloy yield a 'topographical' segregation map, showing distinct regions where different species segregate. These distinct domains originate from a variable interplay between the driving forces for segregation and attractive/repulsive interactions in the bulk of the alloy. The results on these hypothetical systems are very helpful for a better understanding of the segregation behaviour in Cu-Ni-Al and other ternary alloys

  9. Some new ternary linear codes

    Directory of Open Access Journals (Sweden)

    Rumen Daskalov

    2017-07-01

    Full Text Available Let an $[n,k,d]_q$ code be a linear code of length $n$, dimension $k$ and minimum Hamming distance $d$ over $GF(q$. One of the most important problems in coding theory is to construct codes with optimal minimum distances. In this paper 22 new ternary linear codes are presented. Two of them are optimal. All new codes improve the respective lower bounds in [11].

  10. Understanding the vapor-liquid-solid growth and composition of ternary III-V nanowires and nanowire heterostructures

    Science.gov (United States)

    Dubrovskii, V. G.

    2017-11-01

    Based on the recent achievements in vapor-liquid-solid (VLS) synthesis, characterization and modeling of ternary III-V nanowires and axial heterostructures within such nanowires, we try to understand the major trends in their compositional evolution from a general theoretical perspective. Clearly, the VLS growth of ternary materials is much more complex than in standard vapor-solid epitaxy techniques, and even maintaining the necessary control over the composition of steady-state ternary nanowires is far from straightforward. On the other hand, VLS nanowires offer otherwise unattainable material combinations without introducing structural defects and hence are very promising for next-generation optoelectronic devices, in particular those integrated with a silicon electronic platform. In this review, we consider two main problems. First, we show how and by means of which parameters the steady-state composition of Au-catalyzed or self-catalyzed ternary III-V nanowires can be tuned to a desired value and why it is generally different from the vapor composition. Second, we present some experimental data and modeling results for the interfacial abruptness across axial nanowire heterostructures, both in Au-catalyzed and self-catalyzed VLS growth methods. Refined modeling allows us to formulate some general growth recipes for suppressing the unwanted reservoir effect in the droplet and sharpening the nanowire heterojunctions. We consider and refine two approaches developed to date, namely the regular crystallization model for a liquid alloy with a critical size of only one III-V pair at high supersaturations or classical binary nucleation theory with a macroscopic critical nucleus at modest supersaturations.

  11. System Behavior Models: A Survey of Approaches

    Science.gov (United States)

    2016-06-01

    OF FIGURES Spiral Model .................................................................................................3 Figure 1. Approaches in... spiral model was chosen for researching and structuring this thesis, shown in Figure 1. This approach allowed multiple iterations of source material...applications and refining through iteration. 3 Spiral Model Figure 1. D. SCOPE The research is limited to a literature review, limited

  12. Ternary scandium and transition metals germanides

    International Nuclear Information System (INIS)

    Kotur, B.Ya.

    1992-01-01

    Brief review of data on phase diagram of ternary Sc-Me-Ge systems (Me-d - , f-transition element) is given. Isothermal sections at 870 and 1070 K of 17 ternary systems are plotted. Compositions and their structural characteristics are presented. Variability of crystal structure is typical for ternary scandium germanides: 70 compounds with the studied structure belong to 23 structural types. Ternary germanides isostructural to types of Sm 4 Ge 4 , ZrCrSi 2 , ZrNiAl, ScCeSi, TiNiSi U 4 Re 7 Si 6 145 compounds from 70 under investigation are mostly formed in studied systems

  13. Learning Actions Models: Qualitative Approach

    DEFF Research Database (Denmark)

    Bolander, Thomas; Gierasimczuk, Nina

    2015-01-01

    In dynamic epistemic logic, actions are described using action models. In this paper we introduce a framework for studying learnability of action models from observations. We present first results concerning propositional action models. First we check two basic learnability criteria: finite ident...

  14. Facile Synthesis of Ternary Boron Carbonitride Nanotubes

    Directory of Open Access Journals (Sweden)

    Luo Lijie

    2009-01-01

    Full Text Available Abstract In this study, a novel and facile approach for the synthesis of ternary boron carbonitride (B–C–N nanotubes was reported. Growth occurred by heating simple starting materials of boron powder, zinc oxide powder, and ethanol absolute at 1150 °C under a mixture gas flow of nitrogen and hydrogen. As substrate, commercial stainless steel foil with a typical thickness of 0.05 mm played an additional role of catalyst during the growth of nanotubes. The nanotubes were characterized by SEM, TEM, EDX, and EELS. The results indicate that the synthesized B–C–N nanotubes exhibit a bamboo-like morphology and B, C, and N elements are homogeneously distributed in the nanotubes. A catalyzed vapor–liquid–solid (VLS mechanism was proposed for the growth of the nanotubes.

  15. Vapor–Liquid–Liquid Equilibrium Measurements and Modeling of Ethanethiol + Methane + Water, 1-Propanethiol + Methane + Water and 1-Butanethiol + Methane + Water Ternary Systems at 303, 335, and 365 K and Pressure Up to 9 MPa

    DEFF Research Database (Denmark)

    Awan, Javeed; Kontogeorgis, Georgios; Tsivintzelis, Ioannis

    2013-01-01

    New vapor–liquid–liquid equilibrium (VLLE) data for ethanethiol + methane + water, 1-propanethiol + methane + water, and 1-butanethiol + methane + water ternary systems have been measured at three temperatures (303, 335, and 365 K) and pressures up to 9 MPa. A “static-analytic” method was used...... for performing the measurements; the total system pressure was maintained by CH4. The objective of this work is to provide experimental VLLE data for mixtures of mercaptans (thiols) with other natural gas contents at its crude form, for which no data are available in the open literature. Such data will help...... the industrial modeling of processes relevant to reduction of sulfur emissions. The Cubic-Plus-Association (CPA) equation of state was applied to describe the phase behavior of the investigated systems. It is shown that the CPA EoS satisfactorily describes the solubilities of mercaptans (thiols) in all phases...

  16. Global energy modeling - A biophysical approach

    Energy Technology Data Exchange (ETDEWEB)

    Dale, Michael

    2010-09-15

    This paper contrasts the standard economic approach to energy modelling with energy models using a biophysical approach. Neither of these approaches includes changing energy-returns-on-investment (EROI) due to declining resource quality or the capital intensive nature of renewable energy sources. Both of these factors will become increasingly important in the future. An extension to the biophysical approach is outlined which encompasses a dynamic EROI function that explicitly incorporates technological learning. The model is used to explore several scenarios of long-term future energy supply especially concerning the global transition to renewable energy sources in the quest for a sustainable energy system.

  17. A Unified Approach to Modeling and Programming

    DEFF Research Database (Denmark)

    Madsen, Ole Lehrmann; Møller-Pedersen, Birger

    2010-01-01

    of this paper is to go back to the future and get inspiration from SIMULA and propose a unied approach. In addition to reintroducing the contributions of SIMULA and the Scandinavian approach to object-oriented programming, we do this by discussing a number of issues in modeling and programming and argue3 why we......SIMULA was a language for modeling and programming and provided a unied approach to modeling and programming in contrast to methodologies based on structured analysis and design. The current development seems to be going in the direction of separation of modeling and programming. The goal...

  18. High-Efficient Circuits for Ternary Addition

    Directory of Open Access Journals (Sweden)

    Reza Faghih Mirzaee

    2014-01-01

    Full Text Available New ternary adders, which are fundamental components of ternary addition, are presented in this paper. They are on the basis of a logic style which mostly generates binary signals. Therefore, static power dissipation reaches its minimum extent. Extensive different analyses are carried out to examine how efficient the new designs are. For instance, the ternary ripple adder constructed by the proposed ternary half and full adders consumes 2.33 μW less power than the one implemented by the previous adder cells. It is almost twice faster as well. Due to their unique superior characteristics for ternary circuitry, carbon nanotube field-effect transistors are used to form the novel circuits, which are entirely suitable for practical applications.

  19. Multiple Model Approaches to Modelling and Control,

    DEFF Research Database (Denmark)

    on the ease with which prior knowledge can be incorporated. It is interesting to note that researchers in Control Theory, Neural Networks,Statistics, Artificial Intelligence and Fuzzy Logic have more or less independently developed very similar modelling methods, calling them Local ModelNetworks, Operating......, and allows direct incorporation of high-level and qualitative plant knowledge into themodel. These advantages have proven to be very appealing for industrial applications, and the practical, intuitively appealing nature of the framework isdemonstrated in chapters describing applications of local methods...... to problems in the process industries, biomedical applications and autonomoussystems. The successful application of the ideas to demanding problems is already encouraging, but creative development of the basic framework isneeded to better allow the integration of human knowledge with automated learning...

  20. Geometrical approach to fluid models

    International Nuclear Information System (INIS)

    Kuvshinov, B.N.; Schep, T.J.

    1997-01-01

    Differential geometry based upon the Cartan calculus of differential forms is applied to investigate invariant properties of equations that describe the motion of continuous media. The main feature of this approach is that physical quantities are treated as geometrical objects. The geometrical notion of invariance is introduced in terms of Lie derivatives and a general procedure for the construction of local and integral fluid invariants is presented. The solutions of the equations for invariant fields can be written in terms of Lagrange variables. A generalization of the Hamiltonian formalism for finite-dimensional systems to continuous media is proposed. Analogously to finite-dimensional systems, Hamiltonian fluids are introduced as systems that annihilate an exact two-form. It is shown that Euler and ideal, charged fluids satisfy this local definition of a Hamiltonian structure. A new class of scalar invariants of Hamiltonian fluids is constructed that generalizes the invariants that are related with gauge transformations and with symmetries (Noether). copyright 1997 American Institute of Physics

  1. Current approaches to gene regulatory network modelling

    Directory of Open Access Journals (Sweden)

    Brazma Alvis

    2007-09-01

    Full Text Available Abstract Many different approaches have been developed to model and simulate gene regulatory networks. We proposed the following categories for gene regulatory network models: network parts lists, network topology models, network control logic models, and dynamic models. Here we will describe some examples for each of these categories. We will study the topology of gene regulatory networks in yeast in more detail, comparing a direct network derived from transcription factor binding data and an indirect network derived from genome-wide expression data in mutants. Regarding the network dynamics we briefly describe discrete and continuous approaches to network modelling, then describe a hybrid model called Finite State Linear Model and demonstrate that some simple network dynamics can be simulated in this model.

  2. Acetone-butanol-ethanol competitive sorption simulation from single, binary, and ternary systems in a fixed-bed of KA-I resin.

    Science.gov (United States)

    Wu, Jinglan; Zhuang, Wei; Ying, Hanjie; Jiao, Pengfei; Li, Renjie; Wen, Qingshi; Wang, Lili; Zhou, Jingwei; Yang, Pengpeng

    2015-01-01

    Separation of butanol based on sorption methodology from acetone-butanol-ethanol (ABE) fermentation broth has advantages in terms of biocompatibility and stability, as well as economy, and therefore gains much attention. In this work a chromatographic column model based on the solid film linear driving force approach and the competitive Langmuir isotherm equations was used to predict the competitive sorption behaviors of ABE single, binary, and ternary mixture. It was observed that the outlet concentration of weaker retained components exceeded the inlet concentration, which is an evidence of competitive adsorption. Butanol, the strongest retained component, could replace ethanol almost completely and also most of acetone. In the end of this work, the proposed model was validated by comparison of the experimental and predicted ABE ternary breakthrough curves using the real ABE fermentation broth as a feed solution. © 2014 American Institute of Chemical Engineers.

  3. Distributed simulation a model driven engineering approach

    CERN Document Server

    Topçu, Okan; Oğuztüzün, Halit; Yilmaz, Levent

    2016-01-01

    Backed by substantive case studies, the novel approach to software engineering for distributed simulation outlined in this text demonstrates the potent synergies between model-driven techniques, simulation, intelligent agents, and computer systems development.

  4. Service creation: a model-based approach

    NARCIS (Netherlands)

    Quartel, Dick; van Sinderen, Marten J.; Ferreira Pires, Luis

    1999-01-01

    This paper presents a model-based approach to support service creation. In this approach, services are assumed to be created from (available) software components. The creation process may involve multiple design steps in which the requested service is repeatedly decomposed into more detailed

  5. Ion beam modifications of near-surface compositions in ternary alloys

    International Nuclear Information System (INIS)

    Lam, N.Q.; Tang, S.; Yacout, A.M.; Rehn, L.E.; Stubbins, J.F.

    1990-11-01

    Changes in the surface and subsurface compositions of ternary alloys during elevated-temperature sputtering with inert-gas ions were investigated. Theoretically, a comprehensive kinetic model which includes all the basic processes, such as preferential sputtering, displacement mixing, Gibbsian segregation, radiation-enhanced diffusion and radiation-induced segregation, was developed. This phenomenological approach enabled to predict the effects of each individual process or of a combination of processes on the compositional modification in model alloys. Experimentally, measurements of compositional changes at the surface of a Ag-40at%Au -- 20at%Cu alloy during 3-keV Ne + bombardment at various temperatures were made, using ion scattering spectroscopy. These measurements were interpreted on the basis of the results of theoretical modeling. 8 refs., 2 figs

  6. Models of galaxies - The modal approach

    International Nuclear Information System (INIS)

    Lin, C.C.; Lowe, S.A.

    1990-01-01

    The general viability of the modal approach to the spiral structure in normal spirals and the barlike structure in certain barred spirals is discussed. The usefulness of the modal approach in the construction of models of such galaxies is examined, emphasizing the adoption of a model appropriate to observational data for both the spiral structure of a galaxy and its basic mass distribution. 44 refs

  7. New ternary intermetallics, based magnesium, for hydrogen storage

    International Nuclear Information System (INIS)

    Roquefere, J.G.

    2009-05-01

    The use of fossil fuels (non-renewable energy) is responsible for increasing the concentration of greenhouse gases in the atmosphere. Among the considered alternatives, hydrogen is seen as the most attractive energy vector. The storage in intermetallics makes it possible to obtain mass and volume capacities (e.g. 140 g/L) higher than those obtained by liquid form or under pressure (respectively 71 and 40 g/L). We have synthesised Mg and Rare Earth based compounds (RE = Y, Ce and Gd), derived from the cubic Laves phases AB2. Their physical and chemical properties have been studied (hydrogenation, electrochemistry, magnetism,...). The conditions of sorption (P and T) are particularly favorable (i.e. absorption at room temperature and atmospheric pressure). Besides, to improve the sorption kinetics of metallic magnesium, the compounds developed previously were used as catalysts. Thus, GdMgNi4 was milled with magnesium and the speeds of absorption and desorption of the mixture are found higher than those obtained for the composites Mg+Ni or Mg+V, which are reference systems. A theoretical approach (DFT) was used to model the electronic structure of the ternary compounds (i.e. REMgNi4) and thus to predict or confirm the experimental results. (authors)

  8. Description of the ternary system Cu-Ge-Te

    International Nuclear Information System (INIS)

    Dogguy, M.; Carcaly, C.; Rivet, J.; Flahaut, J.

    1977-01-01

    The Cu-Ge-Te ternary system has been studied by DTA and by crystallographic and metallographic analysis. The existence of a ternary compound Cu 2 GeTe 3 is demonstrated; this compound has a ternary incongruent melting point at 500 0 C. This ternary compound has a superstructure of a zinc blende type. The study shows the existence of five ternary eutectics. Two liquid-liquid miscibility gaps exist: the first is situated entirely in the ternary system; the second gives a monotectic region within the ternary system. (Auth.)

  9. Performance Estimation for Lowpass Ternary Filters

    Directory of Open Access Journals (Sweden)

    Brenton Steele

    2003-11-01

    Full Text Available Ternary filters have tap values limited to −1, 0, or +1. This restriction in tap values greatly simplifies the multipliers required by the filter, making ternary filters very well suited to hardware implementations. Because they incorporate coarse quantisation, their performance is typically limited by tap quantisation error. This paper derives formulae for estimating the achievable performance of lowpass ternary filters, thereby allowing the number of computationally intensive design iterations to be reduced. Motivated by practical communications systems requirements, the performance measure which is used is the worst-case stopband attenuation.

  10. Possible Mechanisms of Ternary Fission in the 197Au+197 Au System at 15 AMeV

    International Nuclear Information System (INIS)

    Jun-Long, Tian; Xian, Li; Shi-Wei, Yan; Xi-Zhen, Wu; Zhu-Xia, Li

    2009-01-01

    Ternary fission in 197 Au+ 197 Au collisions at 15 A MeV is investigated by using the improved quantum molecular dynamical (ImQMD) model. The experimental mass distributions for each of the three fragments are reproduced for the first time without any freely adjusting parameters. The mechanisms of ternary fission in central and semi-central collisions are dynamically studied. In direct prolate ternary fission, two necks are found to be formed almost simultaneously and rupture sequentially in a very short time interval. Direct oblate ternary fission is a very rare fission event, in which three necks are formed and rupture simultaneously, forming three equally sized fragments along space-symmetric directions in the reaction plane. In sequential ternary fission a binary division is followed by another binary fission event after hundreds of fm/c. (nuclear physics)

  11. Multiscale approach to equilibrating model polymer melts

    DEFF Research Database (Denmark)

    Svaneborg, Carsten; Ali Karimi-Varzaneh, Hossein; Hojdis, Nils

    2016-01-01

    We present an effective and simple multiscale method for equilibrating Kremer Grest model polymer melts of varying stiffness. In our approach, we progressively equilibrate the melt structure above the tube scale, inside the tube and finally at the monomeric scale. We make use of models designed...

  12. Application of various FLD modelling approaches

    Science.gov (United States)

    Banabic, D.; Aretz, H.; Paraianu, L.; Jurco, P.

    2005-07-01

    This paper focuses on a comparison between different modelling approaches to predict the forming limit diagram (FLD) for sheet metal forming under a linear strain path using the recently introduced orthotropic yield criterion BBC2003 (Banabic D et al 2005 Int. J. Plasticity 21 493-512). The FLD models considered here are a finite element based approach, the well known Marciniak-Kuczynski model, the modified maximum force criterion according to Hora et al (1996 Proc. Numisheet'96 Conf. (Dearborn/Michigan) pp 252-6), Swift's diffuse (Swift H W 1952 J. Mech. Phys. Solids 1 1-18) and Hill's classical localized necking approach (Hill R 1952 J. Mech. Phys. Solids 1 19-30). The FLD of an AA5182-O aluminium sheet alloy has been determined experimentally in order to quantify the predictive capabilities of the models mentioned above.

  13. Temperature dependence on mutual solubility of binary (methanol + limonene) mixture and (liquid + liquid) equilibria of ternary (methanol + ethanol + limonene) mixture

    International Nuclear Information System (INIS)

    Tamura, Kazuhiro; Li Xiaoli; Li Hengde

    2009-01-01

    Mutual solubility data of the binary (methanol + limonene) mixture at the temperatures ranging from 288.15 K close to upper critical solution temperature, and ternary (liquid + liquid) equilibrium (tie-lines) of the (methanol + ethanol + limonene) mixture at the temperatures (288.15, 298.15, and 308.15) K have been obtained. The experimental results have been represented accurately in terms of the extended and modified UNIQUAC models with binary parameters, compared with the UNIQUAC model. The temperature dependence of binary and ternary (liquid + liquid) equilibrium for the binary (methanol + limonene) and ternary (methanol + ethanol + limonene) mixtures could be calculated successfully using the extended and modified UNIQUAC model

  14. Study on the solid state chemistry of ternary uranium oxides

    International Nuclear Information System (INIS)

    Yamashita, Toshiyuki

    1988-03-01

    With the increase of burnup of uranium oxide fuels, various kinds of fission products are formed, and the oxygen atoms combined with the consumed heavy atoms are freed. The solid state chemical and/or thermodynamic properties of these elements at high temperatures are complex, and have not been well clarified. In the present report, an approach was taken that the chemical interactions between UO 2 and these fission products can be regarded as causing overlapped effects of composing ternary uranium oxides, and formation reactions and phase behavior were studied for several ternary uranium oxides with typical fission product elements such as alkaline earth metals and rare earth elements. Precise determination methods for the composition of ternary uranium oxides were developed. The estimated accuracies for x and y values in M y U 1-y O 2+x were ± 0.006 and ± 0.004, respectively. The thermodynamic properties and the lattice parameters of the phases in the Ca-U-O and Pr-U-O systems were discussed in relation to the composition determined by the methods. Crystal structure analyses of cadmium monouranates were made with X-ray diffraction method. (author) 197 refs

  15. Realizing Ternary Logic in FPGAs for SWL DSP Systems

    Directory of Open Access Journals (Sweden)

    Tayeb Din

    2013-07-01

    Full Text Available Recently SWL (Short Word Length DSP (Digital Signal Processing applications has been proposed to overcome multiplier complexity that is evident in most of the digital applications. These SWL applications have been processed through sigma-delta modulation as a key element. For such applications, adder design plays vital role and can impact upon the chip area and its performance. In this paper, a ternary approach for adder tree has been proposed instead of binary that can accommodate more data with less chip-area at the cost of extra pin. The proposed ternary adder tree has been designed and developed in Quartus-II using three different design strategies namely T-gate (Ternary gate, LUT (Look Up Table and algebraic equations. Through rigorous simulation it was found that T-gate technique results in superior performance, an average of 23.5 and 33% improvement compared to the same adder structure based on Boolean Algebraic Equation and LUT, respectively. The proposed adder design would benefit the efficient implementation of SWL applications.

  16. Risk Modelling for Passages in Approach Channel

    Directory of Open Access Journals (Sweden)

    Leszek Smolarek

    2013-01-01

    Full Text Available Methods of multivariate statistics, stochastic processes, and simulation methods are used to identify and assess the risk measures. This paper presents the use of generalized linear models and Markov models to study risks to ships along the approach channel. These models combined with simulation testing are used to determine the time required for continuous monitoring of endangered objects or period at which the level of risk should be verified.

  17. Set-Theoretic Approach to Maturity Models

    DEFF Research Database (Denmark)

    Lasrado, Lester Allan

    Despite being widely accepted and applied, maturity models in Information Systems (IS) have been criticized for the lack of theoretical grounding, methodological rigor, empirical validations, and ignorance of multiple and non-linear paths to maturity. This PhD thesis focuses on addressing...... these criticisms by incorporating recent developments in configuration theory, in particular application of set-theoretic approaches. The aim is to show the potential of employing a set-theoretic approach for maturity model research and empirically demonstrating equifinal paths to maturity. Specifically...... methodological guidelines consisting of detailed procedures to systematically apply set theoretic approaches for maturity model research and provides demonstrations of it application on three datasets. The thesis is a collection of six research papers that are written in a sequential manner. The first paper...

  18. Mathematical Modeling Approaches in Plant Metabolomics.

    Science.gov (United States)

    Fürtauer, Lisa; Weiszmann, Jakob; Weckwerth, Wolfram; Nägele, Thomas

    2018-01-01

    The experimental analysis of a plant metabolome typically results in a comprehensive and multidimensional data set. To interpret metabolomics data in the context of biochemical regulation and environmental fluctuation, various approaches of mathematical modeling have been developed and have proven useful. In this chapter, a general introduction to mathematical modeling is presented and discussed in context of plant metabolism. A particular focus is laid on the suitability of mathematical approaches to functionally integrate plant metabolomics data in a metabolic network and combine it with other biochemical or physiological parameters.

  19. SLS Navigation Model-Based Design Approach

    Science.gov (United States)

    Oliver, T. Emerson; Anzalone, Evan; Geohagan, Kevin; Bernard, Bill; Park, Thomas

    2018-01-01

    The SLS Program chose to implement a Model-based Design and Model-based Requirements approach for managing component design information and system requirements. This approach differs from previous large-scale design efforts at Marshall Space Flight Center where design documentation alone conveyed information required for vehicle design and analysis and where extensive requirements sets were used to scope and constrain the design. The SLS Navigation Team has been responsible for the Program-controlled Design Math Models (DMMs) which describe and represent the performance of the Inertial Navigation System (INS) and the Rate Gyro Assemblies (RGAs) used by Guidance, Navigation, and Controls (GN&C). The SLS Navigation Team is also responsible for the navigation algorithms. The navigation algorithms are delivered for implementation on the flight hardware as a DMM. For the SLS Block 1-B design, the additional GPS Receiver hardware is managed as a DMM at the vehicle design level. This paper provides a discussion of the processes and methods used to engineer, design, and coordinate engineering trades and performance assessments using SLS practices as applied to the GN&C system, with a particular focus on the Navigation components. These include composing system requirements, requirements verification, model development, model verification and validation, and modeling and analysis approaches. The Model-based Design and Requirements approach does not reduce the effort associated with the design process versus previous processes used at Marshall Space Flight Center. Instead, the approach takes advantage of overlap between the requirements development and management process, and the design and analysis process by efficiently combining the control (i.e. the requirement) and the design mechanisms. The design mechanism is the representation of the component behavior and performance in design and analysis tools. The focus in the early design process shifts from the development and

  20. Stochastic approaches to inflation model building

    International Nuclear Information System (INIS)

    Ramirez, Erandy; Liddle, Andrew R.

    2005-01-01

    While inflation gives an appealing explanation of observed cosmological data, there are a wide range of different inflation models, providing differing predictions for the initial perturbations. Typically models are motivated either by fundamental physics considerations or by simplicity. An alternative is to generate large numbers of models via a random generation process, such as the flow equations approach. The flow equations approach is known to predict a definite structure to the observational predictions. In this paper, we first demonstrate a more efficient implementation of the flow equations exploiting an analytic solution found by Liddle (2003). We then consider alternative stochastic methods of generating large numbers of inflation models, with the aim of testing whether the structures generated by the flow equations are robust. We find that while typically there remains some concentration of points in the observable plane under the different methods, there is significant variation in the predictions amongst the methods considered

  1. Model validation: a systemic and systematic approach

    International Nuclear Information System (INIS)

    Sheng, G.; Elzas, M.S.; Cronhjort, B.T.

    1993-01-01

    The term 'validation' is used ubiquitously in association with the modelling activities of numerous disciplines including social, political natural, physical sciences, and engineering. There is however, a wide range of definitions which give rise to very different interpretations of what activities the process involves. Analyses of results from the present large international effort in modelling radioactive waste disposal systems illustrate the urgent need to develop a common approach to model validation. Some possible explanations are offered to account for the present state of affairs. The methodology developed treats model validation and code verification in a systematic fashion. In fact, this approach may be regarded as a comprehensive framework to assess the adequacy of any simulation study. (author)

  2. Quantifying the energetics of cooperativity in a ternary protein complex

    DEFF Research Database (Denmark)

    Andersen, Peter S; Schuck, Peter; Sundberg, Eric J

    2002-01-01

    and mathematical modeling to describe the energetics of cooperativity in a trimolecular protein complex. As a model system for quantifying cooperativity, we studied the ternary complex formed by the simultaneous interaction of a superantigen with major histocompatibility complex and T cell receptor, for which...... a structural model is available. This system exhibits positive and negative cooperativity, as well as augmentation of the temperature dependence of binding kinetics upon the cooperative interaction of individual protein components in the complex. Our experimental and theoretical analysis may be applicable...... to other systems involving cooperativity....

  3. A Conceptual Modeling Approach for OLAP Personalization

    Science.gov (United States)

    Garrigós, Irene; Pardillo, Jesús; Mazón, Jose-Norberto; Trujillo, Juan

    Data warehouses rely on multidimensional models in order to provide decision makers with appropriate structures to intuitively analyze data with OLAP technologies. However, data warehouses may be potentially large and multidimensional structures become increasingly complex to be understood at a glance. Even if a departmental data warehouse (also known as data mart) is used, these structures would be also too complex. As a consequence, acquiring the required information is more costly than expected and decision makers using OLAP tools may get frustrated. In this context, current approaches for data warehouse design are focused on deriving a unique OLAP schema for all analysts from their previously stated information requirements, which is not enough to lighten the complexity of the decision making process. To overcome this drawback, we argue for personalizing multidimensional models for OLAP technologies according to the continuously changing user characteristics, context, requirements and behaviour. In this paper, we present a novel approach to personalizing OLAP systems at the conceptual level based on the underlying multidimensional model of the data warehouse, a user model and a set of personalization rules. The great advantage of our approach is that a personalized OLAP schema is provided for each decision maker contributing to better satisfy their specific analysis needs. Finally, we show the applicability of our approach through a sample scenario based on our CASE tool for data warehouse development.

  4. Variational approach to chiral quark models

    Energy Technology Data Exchange (ETDEWEB)

    Futami, Yasuhiko; Odajima, Yasuhiko; Suzuki, Akira

    1987-03-01

    A variational approach is applied to a chiral quark model to test the validity of the perturbative treatment of the pion-quark interaction based on the chiral symmetry principle. It is indispensably related to the chiral symmetry breaking radius if the pion-quark interaction can be regarded as a perturbation.

  5. A variational approach to chiral quark models

    International Nuclear Information System (INIS)

    Futami, Yasuhiko; Odajima, Yasuhiko; Suzuki, Akira.

    1987-01-01

    A variational approach is applied to a chiral quark model to test the validity of the perturbative treatment of the pion-quark interaction based on the chiral symmetry principle. It is indispensably related to the chiral symmetry breaking radius if the pion-quark interaction can be regarded as a perturbation. (author)

  6. A Set Theoretical Approach to Maturity Models

    DEFF Research Database (Denmark)

    Lasrado, Lester; Vatrapu, Ravi; Andersen, Kim Normann

    2016-01-01

    characterized by equifinality, multiple conjunctural causation, and case diversity. We prescribe methodological guidelines consisting of a six-step procedure to systematically apply set theoretic methods to conceptualize, develop, and empirically derive maturity models and provide a demonstration......Maturity Model research in IS has been criticized for the lack of theoretical grounding, methodological rigor, empirical validations, and ignorance of multiple and non-linear paths to maturity. To address these criticisms, this paper proposes a novel set-theoretical approach to maturity models...

  7. A hybrid modeling approach for option pricing

    Science.gov (United States)

    Hajizadeh, Ehsan; Seifi, Abbas

    2011-11-01

    The complexity of option pricing has led many researchers to develop sophisticated models for such purposes. The commonly used Black-Scholes model suffers from a number of limitations. One of these limitations is the assumption that the underlying probability distribution is lognormal and this is so controversial. We propose a couple of hybrid models to reduce these limitations and enhance the ability of option pricing. The key input to option pricing model is volatility. In this paper, we use three popular GARCH type model for estimating volatility. Then, we develop two non-parametric models based on neural networks and neuro-fuzzy networks to price call options for S&P 500 index. We compare the results with those of Black-Scholes model and show that both neural network and neuro-fuzzy network models outperform Black-Scholes model. Furthermore, comparing the neural network and neuro-fuzzy approaches, we observe that for at-the-money options, neural network model performs better and for both in-the-money and an out-of-the money option, neuro-fuzzy model provides better results.

  8. 450 {sup o}C isothermal section of the Fe-Zn-Si ternary phase diagram

    Energy Technology Data Exchange (ETDEWEB)

    Su, Xuping [Inst. of Materials Research, School of Mechanical Engineering, Xiangtan Univ., Xiangtan, Hunan (China); Univ. of Toronto, Dept. of Materials Science and Engineering, Toronto, Ontario (Canada); Tang, Nai-Yong [Cominco Ltd., Product Technology Centre, Mississauga, Ontario (Canada); Toguri, J.M. [Univ. of Toronto, Dept. of Materials Science and Engineering, Toronto, Ontario (Canada)

    2001-07-01

    The 450 {sup o}C isothermal section of the Fe-Zn-Si ternary phase diagram has been determined experimentally using optical microscopy, scanning electron microscopy (SEM) coupled with energy dispersive X-ray spectroscopy (EDS) and X-ray diffractometry. The focus of the work has been concentrated on the Zn-rich corner which is relevant to general galvanizing. The present study has confirmed the existence of the equilibrium state between the liquid, the {zeta} phase and the FeSi phase. This three phase equilibrium state prevents the equilibrium between the liquid and the {delta} phase suggested by some researchers. Experimental results indicate that Si solubility in all four binary Zn-Fe compounds is limited. The Fe solubility in molten Zn was found to decrease with increasing Si content in the melt. The liquid phase boundary was determined using a model based phenomenological approach. (author)

  9. Dislocation motion and high temperature plasticity of binary and ternary oxides

    International Nuclear Information System (INIS)

    Bretheau, T.; Castaing, J.; Rabier, J.; Veyssiere, P.

    1979-01-01

    Literature dealing with the plasticity of single crystal oxides deformed at elevated temperatures and the associated mobility of dislocations is reviewed. The experimental approach to the subject is examined critically by selecting oxides and deforming samples and by studying their specific mechanical behaviour, characterizing the deformation substructures and modelling the rate controlling processes. Since oxides with the simple rocksalt structure (Mg0, Ni0, Co0, Fe0,...) are not representative of all oxides, examples of other structures are also examined in detail, including Ti0 2 and Cu 2 0 oxides with fluorite (Zr0 2 , U0 2 ), with corundum (A1 2 0 3 ) and with spinel (MgA1 2 0 4 ternary) structures. Occasionally work on more exotic compounds like Y 2 0 3 or some with the garnet structure is included. (UK)

  10. Heat transfer modeling an inductive approach

    CERN Document Server

    Sidebotham, George

    2015-01-01

    This innovative text emphasizes a "less-is-more" approach to modeling complicated systems such as heat transfer by treating them first as "1-node lumped models" that yield simple closed-form solutions. The author develops numerical techniques for students to obtain more detail, but also trains them to use the techniques only when simpler approaches fail. Covering all essential methods offered in traditional texts, but with a different order, Professor Sidebotham stresses inductive thinking and problem solving as well as a constructive understanding of modern, computer-based practice. Readers learn to develop their own code in the context of the material, rather than just how to use packaged software, offering a deeper, intrinsic grasp behind models of heat transfer. Developed from over twenty-five years of lecture notes to teach students of mechanical and chemical engineering at The Cooper Union for the Advancement of Science and Art, the book is ideal for students and practitioners across engineering discipl...

  11. Nonperturbative approach to the attractive Hubbard model

    International Nuclear Information System (INIS)

    Allen, S.; Tremblay, A.-M. S.

    2001-01-01

    A nonperturbative approach to the single-band attractive Hubbard model is presented in the general context of functional-derivative approaches to many-body theories. As in previous work on the repulsive model, the first step is based on a local-field-type ansatz, on enforcement of the Pauli principle and a number of crucial sumrules. The Mermin-Wagner theorem in two dimensions is automatically satisfied. At this level, two-particle self-consistency has been achieved. In the second step of the approximation, an improved expression for the self-energy is obtained by using the results of the first step in an exact expression for the self-energy, where the high- and low-frequency behaviors appear separately. The result is a cooperon-like formula. The required vertex corrections are included in this self-energy expression, as required by the absence of a Migdal theorem for this problem. Other approaches to the attractive Hubbard model are critically compared. Physical consequences of the present approach and agreement with Monte Carlo simulations are demonstrated in the accompanying paper (following this one)

  12. Quasirelativistic quark model in quasipotential approach

    CERN Document Server

    Matveev, V A; Savrin, V I; Sissakian, A N

    2002-01-01

    The relativistic particles interaction is described within the frames of quasipotential approach. The presentation is based on the so called covariant simultaneous formulation of the quantum field theory, where by the theory is considered on the spatial-like three-dimensional hypersurface in the Minkowski space. Special attention is paid to the methods of plotting various quasipotentials as well as to the applications of the quasipotential approach to describing the characteristics of the relativistic particles interaction in the quark models, namely: the hadrons elastic scattering amplitudes, the mass spectra and widths mesons decays, the cross sections of the deep inelastic leptons scattering on the hadrons

  13. A multiscale modeling approach for biomolecular systems

    Energy Technology Data Exchange (ETDEWEB)

    Bowling, Alan, E-mail: bowling@uta.edu; Haghshenas-Jaryani, Mahdi, E-mail: mahdi.haghshenasjaryani@mavs.uta.edu [The University of Texas at Arlington, Department of Mechanical and Aerospace Engineering (United States)

    2015-04-15

    This paper presents a new multiscale molecular dynamic model for investigating the effects of external interactions, such as contact and impact, during stepping and docking of motor proteins and other biomolecular systems. The model retains the mass properties ensuring that the result satisfies Newton’s second law. This idea is presented using a simple particle model to facilitate discussion of the rigid body model; however, the particle model does provide insights into particle dynamics at the nanoscale. The resulting three-dimensional model predicts a significant decrease in the effect of the random forces associated with Brownian motion. This conclusion runs contrary to the widely accepted notion that the motor protein’s movements are primarily the result of thermal effects. This work focuses on the mechanical aspects of protein locomotion; the effect ATP hydrolysis is estimated as internal forces acting on the mechanical model. In addition, the proposed model can be numerically integrated in a reasonable amount of time. Herein, the differences between the motion predicted by the old and new modeling approaches are compared using a simplified model of myosin V.

  14. Infrared target recognition based on improved joint local ternary pattern

    Science.gov (United States)

    Sun, Junding; Wu, Xiaosheng

    2016-05-01

    This paper presents a simple, efficient, yet robust approach, named joint orthogonal combination of local ternary pattern, for automatic forward-looking infrared target recognition. It gives more advantages to describe the macroscopic textures and microscopic textures by fusing variety of scales than the traditional LBP-based methods. In addition, it can effectively reduce the feature dimensionality. Further, the rotation invariant and uniform scheme, the robust LTP, and soft concave-convex partition are introduced to enhance its discriminative power. Experimental results demonstrate that the proposed method can achieve competitive results compared with the state-of-the-art methods.

  15. Experimental and predicted refractive index properties in ternary mixtures of associated liquids

    International Nuclear Information System (INIS)

    Sechenyh, Vitaliy V.; Legros, Jean-Claude; Shevtsova, Valentina

    2011-01-01

    Highlights: → Measurements of refractive indices of 200 different aqueous ternary mixtures have been performed for two wave lengths. → Refractive indices of the associated ternary mixtures can be modeled with a relative error of about 0.9. → Difference between experimental and calculated derivatives of refractive index with concentration is unsatisfactory large. - Abstract: Refractive indices of ternary mixtures formed by (water + ethanol + k-ethylene glycol) (when k is mono, di or tri) and (water + t-butanol + dimethyl sulfoxide) are presented over a wide range of mixture compositions. All measurements have been conducted at 298.15 K and atmospheric pressure using two light sources: one in the visible (λ = 670 nm) and the other in the infrared (λ = 925 nm) spectrum. The performance of several mixing rules that are commonly used in modeling optical constants are examined. We demonstrate that the refractive indices of the associated ternary mixtures can be modeled with a relative error of about 0.9% by using the thermodynamical properties of the pure components. The concentration derivatives of the refractive index are an important parameter, as they are required for different experimental techniques. These derivatives have been determined from the experimental data on refractive indices. However, applying mixing rules for calculation of the derivatives of the refractive indices with respect to concentrations does not provide satisfactory results in the case of ternary mixtures of associated liquids.

  16. Design and analysis of 2T-2M Ternary content addressable memories

    KAUST Repository

    Bahloul, M. A.; Fouda, M. E.; Naous, Rawan; Zidan, Mohammed A.; Eltawil, A. M.; Kurdahi, F.; Salama, Khaled N.

    2017-01-01

    Associate and approximate computing using resistive memory based Ternary Content Addressable Memory is becoming widely used. In this paper, a simplified model based analysis of a 2T2M-Ternary Content Addressable Memory using memristors is introduced. A comprehensive study is presented taking into consideration different circuit parameters and parasitic effects. Parameters such as the memristor Rh/Rl ratio, transistor technology, operating frequency, and memory width are taken into consideration. The proposed model is verified with SPICE showing a high degree of matching between theory and simulation. The utility of the model is established using a design example.

  17. Design and analysis of 2T-2M Ternary content addressable memories

    KAUST Repository

    Bahloul, M. A.

    2017-10-24

    Associate and approximate computing using resistive memory based Ternary Content Addressable Memory is becoming widely used. In this paper, a simplified model based analysis of a 2T2M-Ternary Content Addressable Memory using memristors is introduced. A comprehensive study is presented taking into consideration different circuit parameters and parasitic effects. Parameters such as the memristor Rh/Rl ratio, transistor technology, operating frequency, and memory width are taken into consideration. The proposed model is verified with SPICE showing a high degree of matching between theory and simulation. The utility of the model is established using a design example.

  18. A new approach for developing adjoint models

    Science.gov (United States)

    Farrell, P. E.; Funke, S. W.

    2011-12-01

    Many data assimilation algorithms rely on the availability of gradients of misfit functionals, which can be efficiently computed with adjoint models. However, the development of an adjoint model for a complex geophysical code is generally very difficult. Algorithmic differentiation (AD, also called automatic differentiation) offers one strategy for simplifying this task: it takes the abstraction that a model is a sequence of primitive instructions, each of which may be differentiated in turn. While extremely successful, this low-level abstraction runs into time-consuming difficulties when applied to the whole codebase of a model, such as differentiating through linear solves, model I/O, calls to external libraries, language features that are unsupported by the AD tool, and the use of multiple programming languages. While these difficulties can be overcome, it requires a large amount of technical expertise and an intimate familiarity with both the AD tool and the model. An alternative to applying the AD tool to the whole codebase is to assemble the discrete adjoint equations and use these to compute the necessary gradients. With this approach, the AD tool must be applied to the nonlinear assembly operators, which are typically small, self-contained units of the codebase. The disadvantage of this approach is that the assembly of the discrete adjoint equations is still very difficult to perform correctly, especially for complex multiphysics models that perform temporal integration; as it stands, this approach is as difficult and time-consuming as applying AD to the whole model. In this work, we have developed a library which greatly simplifies and automates the alternate approach of assembling the discrete adjoint equations. We propose a complementary, higher-level abstraction to that of AD: that a model is a sequence of linear solves. The developer annotates model source code with library calls that build a 'tape' of the operators involved and their dependencies, and

  19. Eutrophication Modeling Using Variable Chlorophyll Approach

    International Nuclear Information System (INIS)

    Abdolabadi, H.; Sarang, A.; Ardestani, M.; Mahjoobi, E.

    2016-01-01

    In this study, eutrophication was investigated in Lake Ontario to identify the interactions among effective drivers. The complexity of such phenomenon was modeled using a system dynamics approach based on a consideration of constant and variable stoichiometric ratios. The system dynamics approach is a powerful tool for developing object-oriented models to simulate complex phenomena that involve feedback effects. Utilizing stoichiometric ratios is a method for converting the concentrations of state variables. During the physical segmentation of the model, Lake Ontario was divided into two layers, i.e., the epilimnion and hypolimnion, and differential equations were developed for each layer. The model structure included 16 state variables related to phytoplankton, herbivorous zooplankton, carnivorous zooplankton, ammonium, nitrate, dissolved phosphorus, and particulate and dissolved carbon in the epilimnion and hypolimnion during a time horizon of one year. The results of several tests to verify the model, close to 1 Nash-Sutcliff coefficient (0.98), the data correlation coefficient (0.98), and lower standard errors (0.96), have indicated well-suited model’s efficiency. The results revealed that there were significant differences in the concentrations of the state variables in constant and variable stoichiometry simulations. Consequently, the consideration of variable stoichiometric ratios in algae and nutrient concentration simulations may be applied in future modeling studies to enhance the accuracy of the results and reduce the likelihood of inefficient control policies.

  20. Ternary particles with extreme N/Z ratios from neutron-induced fission

    Energy Technology Data Exchange (ETDEWEB)

    Koster, U.; Faust, H.; Friedrichs, T.; Oberstedt, S.; Fioni, G.; Grob, M.; Ahmad, I. J.; Devlin, M.; Heinz, A.; Kondev, F. G.; Lauritsen, T.; Sarantites, D. G.; Siem, S.; Sobotka, L. G.; Sonzogni, A.

    2000-05-16

    The existing ternary fission models can well reproduce the yields of the most abundant light charged particles. However, these models tend to significantly overestimate the yields of ternary particles with an extreme N/Z ratio: {sup 3}He, {sup 11}Li, {sup 14}Be, etc. The experimental yields of these isotopes were investigated with the recoil separator LOHENGRIN down to a level of 10{sup {minus}10} per fission. Results from the fissioning systems {sup 233}U (n{sub th}, f), {sup 235}U(n{sub th},f), {sup 239}Pu(n{sub th},f) {sup 241}Pu(n{sub th},f) and {sup 245}Cm(n{sub th},f) are presented and the implications for the ternary fission models are discussed.

  1. Mechanism of ternary breakup in the reaction 197Au+197Au at 15A MeV

    International Nuclear Information System (INIS)

    Tian Junlong; Wu Xizhen; Li Zhuxia; Zhao Kai; Zhang Yingxun; Li Xian; Yan Shiwei

    2010-01-01

    The mechanism of the ternary breakup of the very heavy system 197 Au+ 197 Au at an energy of 15A MeV has been studied by using the improved quantum molecular dynamics model. The calculation results reproduce the characteristic features in ternary breakup events explored in a series of experiments; i.e., the masses of three fragments are comparable in size and the very fast, nearly collinear breakup of the colliding system is dominant in the ternary breakup events. Further, the evolution of the time scales of different ternary reaction modes and the behavior of mass distributions of three fragments with impact parameters are studied. The time evolution of the configurations of the composite reaction systems is also studied. We find that for most of the ternary breakup events with the features found in the experiments, the configuration of the composite system has two-preformed-neck shape. The study shows that those ternary breakup events having the characteristic features found in the experiments happen at relatively small impact parameter reactions, but not at peripheral reactions. The ternary breakup reaction at peripheral reactions belongs to binary breakup with a neck emission.

  2. Comparisons of Multilevel Modeling and Structural Equation Modeling Approaches to Actor-Partner Interdependence Model.

    Science.gov (United States)

    Hong, Sehee; Kim, Soyoung

    2018-01-01

    There are basically two modeling approaches applicable to analyzing an actor-partner interdependence model: the multilevel modeling (hierarchical linear model) and the structural equation modeling. This article explains how to use these two models in analyzing an actor-partner interdependence model and how these two approaches work differently. As an empirical example, marital conflict data were used to analyze an actor-partner interdependence model. The multilevel modeling and the structural equation modeling produced virtually identical estimates for a basic model. However, the structural equation modeling approach allowed more realistic assumptions on measurement errors and factor loadings, rendering better model fit indices.

  3. Evolutionary modeling-based approach for model errors correction

    Directory of Open Access Journals (Sweden)

    S. Q. Wan

    2012-08-01

    Full Text Available The inverse problem of using the information of historical data to estimate model errors is one of the science frontier research topics. In this study, we investigate such a problem using the classic Lorenz (1963 equation as a prediction model and the Lorenz equation with a periodic evolutionary function as an accurate representation of reality to generate "observational data."

    On the basis of the intelligent features of evolutionary modeling (EM, including self-organization, self-adaptive and self-learning, the dynamic information contained in the historical data can be identified and extracted by computer automatically. Thereby, a new approach is proposed to estimate model errors based on EM in the present paper. Numerical tests demonstrate the ability of the new approach to correct model structural errors. In fact, it can actualize the combination of the statistics and dynamics to certain extent.

  4. MODELS OF TECHNOLOGY ADOPTION: AN INTEGRATIVE APPROACH

    Directory of Open Access Journals (Sweden)

    Andrei OGREZEANU

    2015-06-01

    Full Text Available The interdisciplinary study of information technology adoption has developed rapidly over the last 30 years. Various theoretical models have been developed and applied such as: the Technology Acceptance Model (TAM, Innovation Diffusion Theory (IDT, Theory of Planned Behavior (TPB, etc. The result of these many years of research is thousands of contributions to the field, which, however, remain highly fragmented. This paper develops a theoretical model of technology adoption by integrating major theories in the field: primarily IDT, TAM, and TPB. To do so while avoiding mess, an approach that goes back to basics in independent variable type’s development is proposed; emphasizing: 1 the logic of classification, and 2 psychological mechanisms behind variable types. Once developed these types are then populated with variables originating in empirical research. Conclusions are developed on which types are underpopulated and present potential for future research. I end with a set of methodological recommendations for future application of the model.

  5. Interfacial Fluid Mechanics A Mathematical Modeling Approach

    CERN Document Server

    Ajaev, Vladimir S

    2012-01-01

    Interfacial Fluid Mechanics: A Mathematical Modeling Approach provides an introduction to mathematical models of viscous flow used in rapidly developing fields of microfluidics and microscale heat transfer. The basic physical effects are first introduced in the context of simple configurations and their relative importance in typical microscale applications is discussed. Then,several configurations of importance to microfluidics, most notably thin films/droplets on substrates and confined bubbles, are discussed in detail.  Topics from current research on electrokinetic phenomena, liquid flow near structured solid surfaces, evaporation/condensation, and surfactant phenomena are discussed in the later chapters. This book also:  Discusses mathematical models in the context of actual applications such as electrowetting Includes unique material on fluid flow near structured surfaces and phase change phenomena Shows readers how to solve modeling problems related to microscale multiphase flows Interfacial Fluid Me...

  6. A new modelling approach for zooplankton behaviour

    Science.gov (United States)

    Keiyu, A. Y.; Yamazaki, H.; Strickler, J. R.

    We have developed a new simulation technique to model zooplankton behaviour. The approach utilizes neither the conventional artificial intelligence nor neural network methods. We have designed an adaptive behaviour network, which is similar to BEER [(1990) Intelligence as an adaptive behaviour: an experiment in computational neuroethology, Academic Press], based on observational studies of zooplankton behaviour. The proposed method is compared with non- "intelligent" models—random walk and correlated walk models—as well as observed behaviour in a laboratory tank. Although the network is simple, the model exhibits rich behavioural patterns similar to live copepods.

  7. Continuum modeling an approach through practical examples

    CERN Document Server

    Muntean, Adrian

    2015-01-01

    This book develops continuum modeling skills and approaches the topic from three sides: (1) derivation of global integral laws together with the associated local differential equations, (2) design of constitutive laws and (3) modeling boundary processes. The focus of this presentation lies on many practical examples covering aspects such as coupled flow, diffusion and reaction in porous media or microwave heating of a pizza, as well as traffic issues in bacterial colonies and energy harvesting from geothermal wells. The target audience comprises primarily graduate students in pure and applied mathematics as well as working practitioners in engineering who are faced by nonstandard rheological topics like those typically arising in the food industry.

  8. Crystallization features of ternary reversible reciprocal systems

    International Nuclear Information System (INIS)

    Tomashik, V.N.; Shcherbak, L.P.; Fejchuk, P.I.; Grytsiv, V.I.

    2006-01-01

    Some features of the primary crystallization of phases in ternary reversible reciprocal system are considered and discussed. The diagonal join CdTe-GeSe of the CdTe + GeSe = CdSe + GeTe ternary reciprocal system is studied to show that the features in primary and secondary heating and cooling curves in such systems under fully equilibrium conditions are not reproduced upon consecutive heating and cooling sessions, because of the existence of different amounts of the reagents and the reaction products in the mixture; the temperatures of each transformation lie in a range. Those who experimentally investigate other ternary and more complex reversible reciprocal systems should take this fact into account [ru

  9. The ternary system nickel-boron-silicon

    International Nuclear Information System (INIS)

    Lugscheider, E.; Reimann, H.; Knotek, O.

    1975-01-01

    The ternary system Nickel-Boron-Silicon was established at 850 0 C by means of X-ray diffraction, metallographic and micro-hardness examinations. The well known binary nickel borides and silicides resp. were confirmed. In the boron-silicon system two binary phases, SiBsub(4-x) with x approximately 0.7 and SiB 6 were found the latter in equilibrium with the β-rhombohedral boron. Confirming the two ternary silicon borides a greater homogeneity range was found for Ni 6 Si 2 B, the phase Nisub(4,6)Si 2 B published by Uraz and Rundqvist can better be described by the formula Nisub(4.29)Si 2 Bsub(1.43). In relation to further investigations we measured melting temperatures in ternary Ni-10 B-Si alloys by differential thermoanalysis. (author)

  10. Global Environmental Change: An integrated modelling approach

    International Nuclear Information System (INIS)

    Den Elzen, M.

    1993-01-01

    Two major global environmental problems are dealt with: climate change and stratospheric ozone depletion (and their mutual interactions), briefly surveyed in part 1. In Part 2 a brief description of the integrated modelling framework IMAGE 1.6 is given. Some specific parts of the model are described in more detail in other Chapters, e.g. the carbon cycle model, the atmospheric chemistry model, the halocarbon model, and the UV-B impact model. In Part 3 an uncertainty analysis of climate change and stratospheric ozone depletion is presented (Chapter 4). Chapter 5 briefly reviews the social and economic uncertainties implied by future greenhouse gas emissions. Chapters 6 and 7 describe a model and sensitivity analysis pertaining to the scientific uncertainties and/or lacunae in the sources and sinks of methane and carbon dioxide, and their biogeochemical feedback processes. Chapter 8 presents an uncertainty and sensitivity analysis of the carbon cycle model, the halocarbon model, and the IMAGE model 1.6 as a whole. Part 4 presents the risk assessment methodology as applied to the problems of climate change and stratospheric ozone depletion more specifically. In Chapter 10, this methodology is used as a means with which to asses current ozone policy and a wide range of halocarbon policies. Chapter 11 presents and evaluates the simulated globally-averaged temperature and sea level rise (indicators) for the IPCC-1990 and 1992 scenarios, concluding with a Low Risk scenario, which would meet the climate targets. Chapter 12 discusses the impact of sea level rise on the frequency of the Dutch coastal defence system (indicator) for the IPCC-1990 scenarios. Chapter 13 presents projections of mortality rates due to stratospheric ozone depletion based on model simulations employing the UV-B chain model for a number of halocarbon policies. Chapter 14 presents an approach for allocating future emissions of CO 2 among regions. (Abstract Truncated)

  11. Omnidirectional reflection in one-dimensional ternary photonic crystals and photonic heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Shiqi [MOE Key Laboratory of Laser Life Science and Institute of Laser Life Science, College of Biophotonics, South China Normal University, Guangzhou 510631 (China); Yang, Xiangbo, E-mail: 20001038@m.scnu.edu.cn [MOE Key Laboratory of Laser Life Science and Institute of Laser Life Science, College of Biophotonics, South China Normal University, Guangzhou 510631 (China); School of Physical Education and Sports Science, South China Normal University, Guangzhou 510006 (China); Liu, Chengyi Timon [School of Physical Education and Sports Science, South China Normal University, Guangzhou 510006 (China)

    2014-03-01

    Designing dielectric systems to create omnidirectional band gaps (OBGs) is an attractive topic in the field of photonic band gap (PBG) structures. In this Letter, we propose a new approach to create OBGs by ternary photonic heterostructures (TPHs) composed of three kinds of materials with different refractive indices and obtain the formulae of the structures of TPHs, i.e., those of the thicknesses of materials and the number of sub-ternary photonic crystals. It may provide a powerful technique for designing the structures being able to produce OBGs by use of usual materials, lowcost materials, and materials with low refractive indices, etc.

  12. Omnidirectional reflection in one-dimensional ternary photonic crystals and photonic heterostructures

    International Nuclear Information System (INIS)

    Wang, Shiqi; Yang, Xiangbo; Liu, Chengyi Timon

    2014-01-01

    Designing dielectric systems to create omnidirectional band gaps (OBGs) is an attractive topic in the field of photonic band gap (PBG) structures. In this Letter, we propose a new approach to create OBGs by ternary photonic heterostructures (TPHs) composed of three kinds of materials with different refractive indices and obtain the formulae of the structures of TPHs, i.e., those of the thicknesses of materials and the number of sub-ternary photonic crystals. It may provide a powerful technique for designing the structures being able to produce OBGs by use of usual materials, lowcost materials, and materials with low refractive indices, etc.

  13. A Josephson ternary associative memory cell

    International Nuclear Information System (INIS)

    Morisue, M.; Suzuki, K.

    1989-01-01

    This paper describes a three-valued content addressable memory cell using a Josephson complementary ternary logic circuit named as JCTL. The memory cell proposed here can perform three operations of searching, writing and reading in ternary logic system. The principle of the memory circuit is illustrated in detail by using the threshold-characteristics of the JCTL. In order to investigate how a high performance operation can be achieved, computer simulations have been made. Simulation results show that the cycle time of memory operation is 120psec, power consumption is about 0.5 μW/cell and tolerances of writing and reading operation are +-15% and +-24%, respectively

  14. MnO2 Nanorods Intercalating Graphene Oxide/Polyaniline Ternary Composites for Robust High-Performance Supercapacitors

    Science.gov (United States)

    Han, Guangqiang; Liu, Yun; Zhang, Lingling; Kan, Erjun; Zhang, Shaopeng; Tang, Jian; Tang, Weihua

    2014-04-01

    New ternary composites of MnO2 nanorods, polyaniline (PANI) and graphene oxide (GO) have been prepared by a two-step process. The 100 nm-long MnO2 nanorods with a diameter ~20 nm are conformably coated with PANI layers and fastened between GO layers. The MnO2 nanorods incorporated ternary composites electrode exhibits significantly increased specific capacitance than PANI/GO binary composite in supercapacitors. The ternary composite with 70% MnO2 exhibits a highest specific capacitance reaching 512 F/g and outstanding cycling performance, with ~97% capacitance retained over 5000 cycles. The ternary composite approach offers an effective solution to enhance the device performance of metal-oxide based supercapacitors for long cycling applications.

  15. Liquid-liquid equilibria for binary and ternary polymer solutions with PC-SAFT

    DEFF Research Database (Denmark)

    Lindvig, Thomas; Michelsen, Michael Locht; Kontogeorgis, Georgios

    2004-01-01

    concentration coexistence curves at fixed pressure and temperature. The algorithms automatically trace the entire liquid-liquid coexistence curves in steps by adjusting the step size, generating initial estimates, and subsequently solving the phase-equilibrium problem by a second-order method. The algorithms...... are used for investigating the correlative and predictive capabilities of the thermodynamic model PC-SAFT. The investigation shows that the model correlates well experimental LLE data for binary as well as ternary systems but further predicts the behavior of the ternary systems with reasonably good...

  16. Mean activity coefficient measurement and thermodynamic modelling of the ternary mixed electrolyte (MgCl_2 + glucose + water) system at T = 298.15 K

    International Nuclear Information System (INIS)

    Rouhi, Azam; Bagherinia, Mohammad Ali

    2015-01-01

    Highlights: • The main goal of the work is to provide precise thermodynamic data for the system. • The method used was potentiometric method. • Pitzer ion interaction model and modified TCPC model were used. • The mass fractions of glucose were (0, 10, 20, 30 and 40)%. • The ionic strengths were from 0.0010 to 6.0000 mol · kg"−"1. - Abstract: In this work, the mean activity coefficients of MgCl_2 in pure water and (glucose + water) mixture solvent were determined using a galvanic cell without liquid junction potential of type: (Mg"2"+ + ISE)|MgCl_2 (m), glucose (wt.%), H_2O (100 wt.%)|AgCl|Ag. The measurements were performed at T = 298.15 K. Total ionic strengths were from (0.0010 to 6.0000) mol · kg"−"1. The various (glucose + water) mixed solvents contained (0, 10, 20, 30 and 40)% mass fractions percentage of glucose respectively. The mean activity coefficients measured were correlated with Pitzer ion interaction model and the Pitzer adjustable parameters were determined. Then these parameters were used to calculate the thermodynamics properties for under investigated system. The results showed that Pitzer ion interaction model can satisfactory describe the investigated system. The modified three-characteristic-parameter correlation (TCPC) model was applied to correlate the experimental activity coefficient data for under investigation electrolyte system, too.

  17. Epitaxial ternary nitride thin films prepared by a chemical solution method

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Hongmei [Los Alamos National Laboratory; Feldmann, David M [Los Alamos National Laboratory; Wang, Haiyan [TEXAS A& M; Bi, Zhenxing [TEXAS A& M

    2008-01-01

    It is indispensable to use thin films for many technological applications. This is the first report of epitaxial growth of ternary nitride AMN2 films. Epitaxial tetragonal SrTiN2 films have been successfully prepared by a chemical solution approach, polymer-assisted deposition. The structural, electrical, and optical properties of the films are also investigated.

  18. Crime Modeling using Spatial Regression Approach

    Science.gov (United States)

    Saleh Ahmar, Ansari; Adiatma; Kasim Aidid, M.

    2018-01-01

    Act of criminality in Indonesia increased both variety and quantity every year. As murder, rape, assault, vandalism, theft, fraud, fencing, and other cases that make people feel unsafe. Risk of society exposed to crime is the number of reported cases in the police institution. The higher of the number of reporter to the police institution then the number of crime in the region is increasing. In this research, modeling criminality in South Sulawesi, Indonesia with the dependent variable used is the society exposed to the risk of crime. Modelling done by area approach is the using Spatial Autoregressive (SAR) and Spatial Error Model (SEM) methods. The independent variable used is the population density, the number of poor population, GDP per capita, unemployment and the human development index (HDI). Based on the analysis using spatial regression can be shown that there are no dependencies spatial both lag or errors in South Sulawesi.

  19. Merging Digital Surface Models Implementing Bayesian Approaches

    Science.gov (United States)

    Sadeq, H.; Drummond, J.; Li, Z.

    2016-06-01

    In this research different DSMs from different sources have been merged. The merging is based on a probabilistic model using a Bayesian Approach. The implemented data have been sourced from very high resolution satellite imagery sensors (e.g. WorldView-1 and Pleiades). It is deemed preferable to use a Bayesian Approach when the data obtained from the sensors are limited and it is difficult to obtain many measurements or it would be very costly, thus the problem of the lack of data can be solved by introducing a priori estimations of data. To infer the prior data, it is assumed that the roofs of the buildings are specified as smooth, and for that purpose local entropy has been implemented. In addition to the a priori estimations, GNSS RTK measurements have been collected in the field which are used as check points to assess the quality of the DSMs and to validate the merging result. The model has been applied in the West-End of Glasgow containing different kinds of buildings, such as flat roofed and hipped roofed buildings. Both quantitative and qualitative methods have been employed to validate the merged DSM. The validation results have shown that the model was successfully able to improve the quality of the DSMs and improving some characteristics such as the roof surfaces, which consequently led to better representations. In addition to that, the developed model has been compared with the well established Maximum Likelihood model and showed similar quantitative statistical results and better qualitative results. Although the proposed model has been applied on DSMs that were derived from satellite imagery, it can be applied to any other sourced DSMs.

  20. MERGING DIGITAL SURFACE MODELS IMPLEMENTING BAYESIAN APPROACHES

    Directory of Open Access Journals (Sweden)

    H. Sadeq

    2016-06-01

    Full Text Available In this research different DSMs from different sources have been merged. The merging is based on a probabilistic model using a Bayesian Approach. The implemented data have been sourced from very high resolution satellite imagery sensors (e.g. WorldView-1 and Pleiades. It is deemed preferable to use a Bayesian Approach when the data obtained from the sensors are limited and it is difficult to obtain many measurements or it would be very costly, thus the problem of the lack of data can be solved by introducing a priori estimations of data. To infer the prior data, it is assumed that the roofs of the buildings are specified as smooth, and for that purpose local entropy has been implemented. In addition to the a priori estimations, GNSS RTK measurements have been collected in the field which are used as check points to assess the quality of the DSMs and to validate the merging result. The model has been applied in the West-End of Glasgow containing different kinds of buildings, such as flat roofed and hipped roofed buildings. Both quantitative and qualitative methods have been employed to validate the merged DSM. The validation results have shown that the model was successfully able to improve the quality of the DSMs and improving some characteristics such as the roof surfaces, which consequently led to better representations. In addition to that, the developed model has been compared with the well established Maximum Likelihood model and showed similar quantitative statistical results and better qualitative results. Although the proposed model has been applied on DSMs that were derived from satellite imagery, it can be applied to any other sourced DSMs.

  1. Solubility Modeling of the Binary Systems Fe(NO3)3–H2O, Co(NO3)2–H2O and the Ternary System Fe(NO3)3–Co(NO3)2–H2O with the Extended Universal Quasichemical (UNIQUAC) Model

    DEFF Research Database (Denmark)

    Arrad, Mouad; Kaddami, Mohammed; Goundali, Bahija El

    2016-01-01

    Solubility modeling in the binary system Fe(NO3)3–H2O, Co(NO3)2–H2O and the ternary system Fe(NO3)3–Co(NO3)2–H2O is presented. The extended UNIQUAC model was applied to the thermodynamic assessment of the investigated systems. The model parameters obtained were regressed simultaneously using...... the available databank but with more experimental points, recently published in the open literature. A revision of previously published parameters for the cobalt ion and new parameters for the iron(III) nitrate system are presented. Based on this set of parameters, the equilibrium constants of hydrates...

  2. Effect on strength of ternary alloying additions in L12 intermetallics

    International Nuclear Information System (INIS)

    Wu Yuanpang.

    1991-01-01

    The thermodynamic properties of {111} antiphase boundaries (APBs) as well as the site preference of ternary additions in an A 3 B intermetallic with L1 2 structure are studied, using a thermodynamic model. A survey of the results from a variety of ternary alloying additions to Ni 3 Al has shown that there is a conflict in the actual role which solid solution strengthening plays in the athermal increment of yield strength. For instance, a good quantitative agreement with linear concentration law is observed only in alloys with stoichiometric compositions but not in the general case of non-stoichiometric alloys. In the light of the possibility that micro-segregation could explain the experimental discrepancy, the author extends the binary solid solution strengthening theory to the ternary system in an L1 2 structure for the four real systems of Ni-Al-Si, Ni-Al-Ti, Ni-Al-Hf, and Ni-Al-V. It is found that ternary site preference plays an important role in the ternary solid solution strengthening theory with L1 2 structure. Good quantitative agreement was found between the calculated and experimentally measured strength for both stoichiometric and nonstoichiometric alloys

  3. First-principles study of ternary bcc alloys using special quasi-random structures

    International Nuclear Information System (INIS)

    Jiang Chao

    2009-01-01

    Using a combination of exhaustive enumeration and Monte Carlo simulated annealing, we have developed special quasi-random structures (SQSs) for ternary body-centered cubic (bcc) alloys with compositions of A 1 B 1 C 1 , A 2 B 1 C 1 , A 6 B 1 C 1 and A 2 B 3 C 3 , respectively. The structures possess local pair and multisite correlation functions that closely mimic those of the random bcc alloy. We employed the SQSs to predict the mixing enthalpies, nearest neighbor bond length distributions and electronic density of states of bcc Mo-Nb-Ta and Mo-Nb-V solid solutions. Our convergence tests indicate that even small-sized SQSs can give reliable results. Based on the SQS energetics, the predicting powers of the existing empirical ternary extrapolation models were assessed. The present results suggest that it is important to take into account the ternary interaction parameter in order to accurately describe the thermodynamic behaviors of ternary alloys. The proposed SQSs are quite general and can be applied to other ternary bcc alloys.

  4. Crystallization, data collection and processing of the chymotrypsin–BTCI–trypsin ternary complex

    Energy Technology Data Exchange (ETDEWEB)

    Esteves, Gisele Ferreira; Teles, Rozeni Chagas Lima; Cavalcante, Nayara Silva; Neves, David; Ventura, Manuel Mateus [Laboratório de Biofísica, Instituto de Ciências Biológicas, Universidade de Brasília, 70910-900 Brasília-DF (Brazil); Barbosa, João Alexandre Ribeiro Gonçalves, E-mail: joao@lnls.br [Center for Structural Molecular Biology (CeBiME), Brazilian Synchrotron Light Laboratory (LNLS), CP 6192, 13083-970 Campinas-SP (Brazil); Freitas, Sonia Maria de, E-mail: joao@lnls.br [Laboratório de Biofísica, Instituto de Ciências Biológicas, Universidade de Brasília, 70910-900 Brasília-DF (Brazil)

    2007-12-01

    A ternary complex of the proteinase inhibitor (BTCI) with trypsin and chymotrypsin was crystallized and its crystal structure was solved by molecular replacement. A ternary complex of the black-eyed pea trypsin and chymotrypsin inhibitor (BTCI) with trypsin and chymotrypsin was crystallized by the sitting-drop vapour-diffusion method with 0.1 M HEPES pH 7.5, 10%(w/v) polyethylene glycol 6000 and 5%(v/v) 2-methyl-2,4-pentanediol as precipitant. BTCI is a small protein with 83 amino-acid residues isolated from Vigna unguiculata seeds and is able to inhibit trypsin and chymotrypsin simultaneously by forming a stable ternary complex. X-ray data were collected from a single crystal of the trypsin–BTCI–chymotrypsin ternary complex to 2.7 Å resolution under cryogenic conditions. The structure of the ternary complex was solved by molecular replacement using the crystal structures of the BTCI–trypsin binary complex (PDB code) and chymotrypsin (PDB code) as search models.

  5. Crystallization, data collection and processing of the chymotrypsin–BTCI–trypsin ternary complex

    International Nuclear Information System (INIS)

    Esteves, Gisele Ferreira; Teles, Rozeni Chagas Lima; Cavalcante, Nayara Silva; Neves, David; Ventura, Manuel Mateus; Barbosa, João Alexandre Ribeiro Gonçalves; Freitas, Sonia Maria de

    2007-01-01

    A ternary complex of the proteinase inhibitor (BTCI) with trypsin and chymotrypsin was crystallized and its crystal structure was solved by molecular replacement. A ternary complex of the black-eyed pea trypsin and chymotrypsin inhibitor (BTCI) with trypsin and chymotrypsin was crystallized by the sitting-drop vapour-diffusion method with 0.1 M HEPES pH 7.5, 10%(w/v) polyethylene glycol 6000 and 5%(v/v) 2-methyl-2,4-pentanediol as precipitant. BTCI is a small protein with 83 amino-acid residues isolated from Vigna unguiculata seeds and is able to inhibit trypsin and chymotrypsin simultaneously by forming a stable ternary complex. X-ray data were collected from a single crystal of the trypsin–BTCI–chymotrypsin ternary complex to 2.7 Å resolution under cryogenic conditions. The structure of the ternary complex was solved by molecular replacement using the crystal structures of the BTCI–trypsin binary complex (PDB code) and chymotrypsin (PDB code) as search models

  6. A nationwide modelling approach to decommissioning - 16182

    International Nuclear Information System (INIS)

    Kelly, Bernard; Lowe, Andy; Mort, Paul

    2009-01-01

    In this paper we describe a proposed UK national approach to modelling decommissioning. For the first time, we shall have an insight into optimizing the safety and efficiency of a national decommissioning strategy. To do this we use the General Case Integrated Waste Algorithm (GIA), a universal model of decommissioning nuclear plant, power plant, waste arisings and the associated knowledge capture. The model scales from individual items of plant through cells, groups of cells, buildings, whole sites and then on up to a national scale. We describe the national vision for GIA which can be broken down into three levels: 1) the capture of the chronological order of activities that an experienced decommissioner would use to decommission any nuclear facility anywhere in the world - this is Level 1 of GIA; 2) the construction of an Operational Research (OR) model based on Level 1 to allow rapid what if scenarios to be tested quickly (Level 2); 3) the construction of a state of the art knowledge capture capability that allows future generations to learn from our current decommissioning experience (Level 3). We show the progress to date in developing GIA in levels 1 and 2. As part of level 1, GIA has assisted in the development of an IMechE professional decommissioning qualification. Furthermore, we describe GIA as the basis of a UK-Owned database of decommissioning norms for such things as costs, productivity, durations etc. From level 2, we report on a pilot study that has successfully tested the basic principles for the OR numerical simulation of the algorithm. We then highlight the advantages of applying the OR modelling approach nationally. In essence, a series of 'what if...' scenarios can be tested that will improve the safety and efficiency of decommissioning. (authors)

  7. Modeling in transport phenomena a conceptual approach

    CERN Document Server

    Tosun, Ismail

    2007-01-01

    Modeling in Transport Phenomena, Second Edition presents and clearly explains with example problems the basic concepts and their applications to fluid flow, heat transfer, mass transfer, chemical reaction engineering and thermodynamics. A balanced approach is presented between analysis and synthesis, students will understand how to use the solution in engineering analysis. Systematic derivations of the equations and the physical significance of each term are given in detail, for students to easily understand and follow up the material. There is a strong incentive in science and engineering to

  8. Nuclear physics for applications. A model approach

    International Nuclear Information System (INIS)

    Prussin, S.G.

    2007-01-01

    Written by a researcher and teacher with experience at top institutes in the US and Europe, this textbook provides advanced undergraduates minoring in physics with working knowledge of the principles of nuclear physics. Simplifying models and approaches reveal the essence of the principles involved, with the mathematical and quantum mechanical background integrated in the text where it is needed and not relegated to the appendices. The practicality of the book is enhanced by numerous end-of-chapter problems and solutions available on the Wiley homepage. (orig.)

  9. Indacenodithienothiophene-Based Ternary Organic Solar Cells

    Energy Technology Data Exchange (ETDEWEB)

    Gasparini, Nicola, E-mail: nicola.gasparini@fau.de [Institute of Materials for Electronics and Energy Technology (I-MEET), Friedrich-Alexander-University Erlangen-Nuremberg, Erlangen (Germany); García-Rodríguez, Amaranda [Macromolecular Chemistry Group (buwmakro), Institute for Polymer Technology, BergischeUniversität Wuppertal, Wuppertal (Germany); Prosa, Mario [Istituto per lo Studio dei Materiali Nanostrutturati (ISMN), Consiglio Nazionale delle Ricerche (CNR), Bologna (Italy); Bayseç, Şebnem; Palma-Cando, Alex [Macromolecular Chemistry Group (buwmakro), Institute for Polymer Technology, BergischeUniversität Wuppertal, Wuppertal (Germany); Katsouras, Athanasios; Avgeropoulos, Apostolos [Department of Materials Science Engineering, University of Ioannina, Ioannina (Greece); Pagona, Georgia; Gregoriou, Vasilis G. [Advent Technologies SA, Patras Science Park, Patra (Greece); National Hellenic Research Foundation (NHRF), Athens (Greece); Chochos, Christos L. [Department of Materials Science Engineering, University of Ioannina, Ioannina (Greece); Advent Technologies SA, Patras Science Park, Patra (Greece); Allard, Sybille; Scherf, Ulrich [Macromolecular Chemistry Group (buwmakro), Institute for Polymer Technology, BergischeUniversität Wuppertal, Wuppertal (Germany); Brabec, Christoph J. [Institute of Materials for Electronics and Energy Technology (I-MEET), Friedrich-Alexander-University Erlangen-Nuremberg, Erlangen (Germany); Bavarian Center for Applied Energy Research (ZAE Bayern), Erlangen (Germany); Ameri, Tayebeh, E-mail: nicola.gasparini@fau.de [Institute of Materials for Electronics and Energy Technology (I-MEET), Friedrich-Alexander-University Erlangen-Nuremberg, Erlangen (Germany)

    2017-01-13

    One of the key aspects to achieve high efficiency in ternary bulk-hetorojunction solar cells is the physical and chemical compatibility between the donor materials. Here, we report the synthesis of a novel conjugated polymer (P1) containing alternating pyridyl[2,1,3]thiadiazole between two different donor fragments, dithienosilole and indacenodithienothiophene (IDTT), used as a sensitizer in a host system of indacenodithieno[3,2-b]thiophene,2,3-bis(3-(octyloxy)phenyl)quinoxaline (PIDTTQ) and [6,6]-phenyl C{sub 70} butyric acid methyl ester (PC{sub 71}BM). We found that the use of the same IDTT unit in the host and guest materials does not lead to significant changes in the morphology of the ternary blend compared to the host binary. With the complementary use of optoelectronic characterizations, we found that the ternary cells suffer from a lower mobility-lifetime (μτ) product, adversely impacting the fill factor. However, the significant light harvesting in the near infrared region improvement, compensating the transport losses, results in an overall power conversion efficiency enhancement of ~7% for ternary blends as compared to the PIDTTQ:PC{sub 71}BM devices.

  10. Self-triggered coordination with ternary controllers

    NARCIS (Netherlands)

    De Persis, Claudio; Frasca, Paolo

    2012-01-01

    This paper regards coordination of networked systems with ternary controllers. We develop a hybrid coordination system which implements a self-triggered communication policy, based on polling the neighbors upon need. We prove that the proposed scheme ensures finite-time convergence to a neighborhood

  11. Ternary gradient metal-organic frameworks.

    Science.gov (United States)

    Liu, Chong; Rosi, Nathaniel L

    2017-09-08

    Gradient MOFs contain directional gradients of either structure or functionality. We have successfully prepared two ternary gradient MOFs based on bMOF-100 analogues, namely bMOF-100/102/106 and bMOF-110/100/102, via cascade ligand exchange reactions. The cubic unit cell parameter discrepancy within an individual ternary gradient MOF crystal is as large as ∼1 nm, demonstrating the impressive compatibility and flexibility of the component MOF materials. Because of the presence of a continuum of unit cells, the pore diameters within individual crystals also change in a gradient fashion from ∼2.5 nm to ∼3.0 nm for bMOF-100/102/106, and from ∼2.2 nm to ∼2.7 nm for bMOF-110/100/102, indicating significant porosity gradients. Like previously reported binary gradient MOFs, the composition of the ternary gradient MOFs can be easily controlled by adjusting the reaction conditions. Finally, X-ray diffraction and microspectrophotometry were used to analyse fractured gradient MOF crystals by comparing unit cell parameters and absorbance spectra at different locations, thus revealing the profile of heterogeneity (i.e. gradient distribution of properties) and further confirming the formation of ternary gradient MOFs.

  12. TERNARY ALLOYS OF URANIUM, COLUMBIUM, AND ZIRCONIUM

    Science.gov (United States)

    Foote, F.G.

    1960-08-01

    Ternary alloys of uranium are described which are useful as neutron- reflecting materials in a fast neutron reactor. They are especially resistant to corrosion caused by oxidative processes of gascous or aqueous origin and comprise uranium as the predominant metal with zirconiunn and niobium wherein the total content of the minor alloying elements is between 2 and 8% by weight.

  13. Does Science Also Prefer a Ternary Pattern?

    Science.gov (United States)

    Pogliani, L.; Klein, D. J.; Balaban, A. T.

    2006-01-01

    Through the importance of the number three in our culture and the strange preference for a ternary pattern of our nature one can perceive how and why number theory degraded to numerology. The strong preference of our minds for simple patterns can be read as the key to understanding not only the development of numerology, but also why scientists…

  14. Angular distribution in ternary cold fission

    International Nuclear Information System (INIS)

    Delion, D.S.; J.W. Goethe Univ., Frankfurt; Sandulescu, A.; J.W. Goethe Univ., Frankfurt; Greiner, W.

    2003-01-01

    We describe the spontaneous ternary cold fission of 252 Cf, accompanied by 4 He, 10 Be and 14 C. The light cluster decays from the first resonant eigenstate in the Coulomb potential plus a harmonic oscillator potential. We have shown that the angular distribution of the emitted light particle is strongly connected with its deformation and the equatorial distance. (author)

  15. Superconducting state parameters of ternary metallic glasses

    Indian Academy of Sciences (India)

    Administrator

    to binary metallic glasses. They are of interest since third element can modify the physical properties of binary metallic glasses and can also be used as a probe to study the host. ..... conducting nature in the present case. When we. Figure 6. Variation of transition temperature (TC) with valance (Z) of ternary metallic glasses.

  16. separation of strontium and cesium from ternary and quaternary lithium chloride-potassium chloride salts via melt crystallization

    Directory of Open Access Journals (Sweden)

    Ammon N. Williams

    2015-12-01

    Full Text Available Separation of cesium chloride (CsCl and strontium chloride (SrCl2 from the lithium chloride-potassium chloride (LiCl-KCl salt was studied using a melt crystallization process similar to the reverse vertical Bridgeman growth technique. A ternary SrCl2-LiCl-KCl salt was explored at similar growth rates (1.8–5 mm/h and compared with CsCl ternary results to identify similarities. Quaternary experiments were also conducted and compared with the ternary cases to identify trends and possible limitations to the separations process. In the ternary case, as much as 68% of the total salt could be recycled per batch process. In the quaternary experiments, separation of Cs and Sr was nearly identical at the slower rates; however, as the growth rate increased, SrCl2 separated more easily than CsCl. The quaternary results show less separation and rate dependence than in both ternary cases. As an estimated result, only 51% of the total salt could be recycled per batch. Furthermore, two models have been explored to further understand the growth process and separation. A comparison of the experimental and modeling results reveals that the nonmixed model fits reasonably well with the ternary and quaternary data sets. A dimensional analysis was performed and a correlation was identified to semipredict the segregation coefficient.

  17. Separation of strontium and cesium from ternary and quaternary lithium chloride-potassium chloride salts via melt crystallization

    Energy Technology Data Exchange (ETDEWEB)

    Williams, Ammon n.; Pack, Michael [Dept. of Mechanical and Nuclear Engineering, Virginia Commonwealth University, Richmond (United States); Phongikaroon, Spathorn [Dept. of Chemical and Materials Engineering and Nuclear Engineering Program, University of Idaho, Idaho Falls (United States)

    2015-12-15

    Separation of cesium chloride (CsCl) and strontium chloride (SrCl{sub 2}) from the lithium chloride-potassium chloride (LiCl-KCl) salt was studied using a melt crystallization process similar to the reverse vertical Bridgeman growth technique. A ternary SrCl2-LiCl-KCl salt was explored at similar growth rates (1.8-5 mm/h) and compared with CsCl ternary results to identify similarities. Quaternary experiments were also conducted and compared with the ternary cases to identify trends and possible limitations to the separations process. In the ternary case, as much as 68% of the total salt could be recycled per batch process. In the quaternary experiments, separation of Cs and Sr was nearly identical at the slower rates; however, as the growth rate increased, SrCl{sub 2} separated more easily than CsCl. The quaternary results show less separation and rate dependence than in both ternary cases. As an estimated result, only 51% of the total salt could be recycled per batch. Furthermore, two models have been explored to further understand the growth process and separation. A comparison of the experimental and modeling results reveals that the nonmixed model fits reasonably well with the ternary and quaternary data sets. A dimensional analysis was performed and a correlation was identified to semipredict the segregation coefficient.

  18. Pedagogic process modeling: Humanistic-integrative approach

    Directory of Open Access Journals (Sweden)

    Boritko Nikolaj M.

    2007-01-01

    Full Text Available The paper deals with some current problems of modeling the dynamics of the subject-features development of the individual. The term "process" is considered in the context of the humanistic-integrative approach, in which the principles of self education are regarded as criteria for efficient pedagogic activity. Four basic characteristics of the pedagogic process are pointed out: intentionality reflects logicality and regularity of the development of the process; discreteness (stageability in dicates qualitative stages through which the pedagogic phenomenon passes; nonlinearity explains the crisis character of pedagogic processes and reveals inner factors of self-development; situationality requires a selection of pedagogic conditions in accordance with the inner factors, which would enable steering the pedagogic process. Offered are two steps for singling out a particular stage and the algorithm for developing an integrative model for it. The suggested conclusions might be of use for further theoretic research, analyses of educational practices and for realistic predicting of pedagogical phenomena. .

  19. PMGA and its application in area and power optimization for ternary FPRM circuit

    International Nuclear Information System (INIS)

    Wang Pengjun; Li Kangping; Zhang Huihong

    2016-01-01

    Based on the research of population migration algorithms (PMAs), a population migration genetic algorithm (PMGA) is proposed, combining a PMA with a genetic algorithm. A scheme of area and power optimization for a ternary FPRM circuit is proposed by using the PMGA. Firstly, according to the ternary FPRM logic function expression, area and power estimation models are established. Secondly, the PMGA is used to search for the best area and power polarity. Finally, 10 MCNC Benchmark circuits are used to verify the effectiveness of the proposed method. The results show that the ternary FPRM circuits optimized by the PMGA saved 13.33% area and 20.00% power on average than the corresponding FPRM circuits optimized by a whole annealing genetic algorithm. (paper)

  20. Liquid demixing and microstructure formation in ternary Al-Sn-Cu alloys

    Energy Technology Data Exchange (ETDEWEB)

    Mirkovic, D.; Groebner, J. [Clausthal University of Technology, Institute of Metallurgy, Robert-Koch-Strasse 42, D-38678 Clausthal-Zellerfeld (Germany); Schmid-Fetzer, R. [Clausthal University of Technology, Institute of Metallurgy, Robert-Koch-Strasse 42, D-38678 Clausthal-Zellerfeld (Germany)], E-mail: schmid-fetzer@tu-clausthal.de

    2008-07-25

    The complex features of the Al-Sn-Cu phase diagram, dominated by ternary liquid demixing, are revealed by a combination of thermodynamic modeling and experimental studies. Nine ternary alloys were selected to cover all essential features involving the liquidus surface and the invariant solidification reactions. These were analyzed by differential thermal analysis as well as microstructural and local chemical analysis of solidified microstructures. Three different monotectic invariant reactions occur in this system. Small changes in alloy composition may produce distinctly different microstructures with primary crystallization and secondary demixing or vice versa.

  1. A novel approach to pipeline tensioner modeling

    Energy Technology Data Exchange (ETDEWEB)

    O' Grady, Robert; Ilie, Daniel; Lane, Michael [MCS Software Division, Galway (Ireland)

    2009-07-01

    As subsea pipeline developments continue to move into deep and ultra-deep water locations, there is an increasing need for the accurate prediction of expected pipeline fatigue life. A significant factor that must be considered as part of this process is the fatigue damage sustained by the pipeline during installation. The magnitude of this installation-related damage is governed by a number of different agents, one of which is the dynamic behavior of the tensioner systems during pipe-laying operations. There are a variety of traditional finite element methods for representing dynamic tensioner behavior. These existing methods, while basic in nature, have been proven to provide adequate forecasts in terms of the dynamic variation in typical installation parameters such as top tension and sagbend/overbend strain. However due to the simplicity of these current approaches, some of them tend to over-estimate the frequency of tensioner pay out/in under dynamic loading. This excessive level of pay out/in motion results in the prediction of additional stress cycles at certain roller beds, which in turn leads to the prediction of unrealistic fatigue damage to the pipeline. This unwarranted fatigue damage then equates to an over-conservative value for the accumulated damage experienced by a pipeline weld during installation, and so leads to a reduction in the estimated fatigue life for the pipeline. This paper describes a novel approach to tensioner modeling which allows for greater control over the velocity of dynamic tensioner pay out/in and so provides a more accurate estimation of fatigue damage experienced by the pipeline during installation. The paper reports on a case study, as outlined in the proceeding section, in which a comparison is made between results from this new tensioner model and from a more conventional approach. The comparison considers typical installation parameters as well as an in-depth look at the predicted fatigue damage for the two methods

  2. Kinetics of radiation-induced segregation in ternary alloys

    International Nuclear Information System (INIS)

    Lam, N.O.; Kumar, A.; Wiedersich, H.

    1982-01-01

    Model calculations of radiation-induced segregation in ternary alloys have been performed, using a simple theory. The theoretical model describes the coupling between the fluxes of radiation-induced defects and alloying elements in an alloy A-B-C by partitioning the defect fluxes into those occurring via A-, B-, and C-atoms, and the atom fluxes into those taking place via vacancies and interstitials. The defect and atom fluxes can be expressed in terms of concentrations and concentration gradients of all the species present. With reasonable simplifications, the radiation-induced segregation problem can be cast into a system of four coupled partial-differential equations, which can be solved numerically for appropriate initial and boundary conditions. Model calculations have been performed for ternary solid solutions intended to be representative of Fe-Cr-Ni and Ni-Al-Si alloys under various irradiation conditions. The dependence of segregation on both the alloy properties and the irradiation variables, e.g., temperature and displacement rate, was calculated. The sample calculations are in good qualitative agreement with the general trends of radiation-induced segregation observed experimentally

  3. Synthesis and application of a ternary composite of clay, saw-dust and peanut husks in heavy metal adsorption.

    Science.gov (United States)

    Mungondori, Henry H; Mtetwa, Sandile; Tichagwa, Lilian; Katwire, David M; Nyamukamba, Pardon

    2017-05-01

    The adsorption of a multi-component system of ferrous, chromium, copper, nickel and lead on single, binary and ternary composites was studied. The aim of the study was to investigate whether a ternary composite of clay, peanut husks (PH) and saw-dust (SD) exhibited a higher adsorption capacity than that of a binary system of clay and SD as well as a single component adsorbent of PH alone. The materials were used in their raw state without any chemical modifications. This was done to retain the cost effective aspect of the naturally occurring adsorbents. The adsorption capacities of the ternary composite for the heavy metals Fe 2+ , Cr 3+ , Cu 2+ , Ni 2+ and Pb 2+ were 41.7 mg/g, 40.0 mg/g, 25.5 mg/g, 41.5 mg/g and 39.0 mg/g, respectively. It was found that the ternary composite exhibited excellent and enhanced adsorption capacity compared with both a binary and single adsorbent for the heavy metals Fe 2+ , Ni 2+ and Cr 3+ . Characterization of the ternary composites was done using Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD) and thermogravimetric analysis (TGA). Kinetic models and adsorption isotherms were also studied. The pseudo second order kinetic model and the Langmuir adsorption isotherm best described the adsorption mechanisms for the ternary composite towards each of the heavy metal ions.

  4. Stability of Naturally Relevant Ternary Phases in the Cu–Sn–S system in Contact with an Aqueous Solution

    Directory of Open Access Journals (Sweden)

    Andrea Giaccherini

    2016-07-01

    Full Text Available A relevant research effort is devoted to the synthesis and characterization of phases belonging to the ternary system Cu–Sn–S, mainly for their possible applications in semiconductor technology. Among all ternary phases, kuramite, Cu3SnS4, mohite, Cu2SnS3, and Cu4Sn7S16 have attracted the highest interest. Numerous studies were carried out claiming for the description of new phases in the ternary compositional field. In this study, we revise the existing literature on this ternary system, with a special focus on the phases stable in a temperature range at 25 °C. The only two ternary phases observed in nature are mohite and kuramite. Their occurrence is described as very rare. A numerical modelling of the stable solid phases in contact with a water solution was underwent to define stability relationships of the relevant phases of the system. The numerical modelling of the Eh-pH diagrams was carried out through the phreeqc software with the lnll.dat thermodynamic database. Owing to the complexity of this task, the subsystems Cu–O–H, Sn–O–H, Cu–S–O–H and Sn–S–O–H were firstly considered. The first Pourbaix diagram for the two naturally relevant ternary phases is then proposed.

  5. Ebulliometric determination and prediction of (vapor + liquid) equilibria for binary and ternary mixtures containing alcohols (C{sub 1}-C{sub 4}) and dimethyl carbonate

    Energy Technology Data Exchange (ETDEWEB)

    Matsuda, Hiroyuki, E-mail: matsuda@chem.cst.nihon-u.ac.jp [Department of Materials and Applied Chemistry, Nihon University, 1-8 Kanda Surugadai, Chiyoda-ku, Tokyo 101-8308 (Japan); Fukano, Makoto; Kikkawa, Shinichiro [Department of Materials and Applied Chemistry, Nihon University, 1-8 Kanda Surugadai, Chiyoda-ku, Tokyo 101-8308 (Japan); Constantinescu, Dana [Carl von Ossietzky Universitaet Oldenburg, Technische Chemie, D-26111 Oldenburg (Germany); Kurihara, Kiyofumi; Tochigi, Katsumi; Ochi, Kenji [Department of Materials and Applied Chemistry, Nihon University, 1-8 Kanda Surugadai, Chiyoda-ku, Tokyo 101-8308 (Japan); Gmehling, Juergen [Carl von Ossietzky Universitaet Oldenburg, Technische Chemie, D-26111 Oldenburg (Germany)

    2012-01-15

    Highlights: > The VLE behavior of systems containing dimethyl carbonate (DMC) was investigated. > VLE data for ternary and binary mixtures containing alcohol and DMC were measured. > Several activity coefficient models were used for data reduction or prediction. > Valley line, i.e., distillation boundary, was observed for the ternary mixture. > Residue curves were calculated to investigate composition profile for distillation. - Abstract: (Vapor + liquid) equilibrium (VLE) data for a ternary mixture, namely {l_brace}methanol + propan-1-ol + dimethyl carbonate (DMC){r_brace}, and four binary mixtures, namely an {l_brace}alcohol (C{sub 3} or C{sub 4}) + DMC{r_brace}, containing the binary constituent mixtures of the ternary mixture, were measured at p = (40.00 to 93.32) kPa using a modified Swietoslawski-type ebulliometer. The experimental data for the binary systems were correlated using the Wilson model. The Wilson model was also applied to the ternary system to predict the VLE behavior using parameters from the binary mixtures. The modified UNIFAC (Dortmund) model was also tested for the predictions of the VLE behavior of the binary and ternary mixtures. In addition, the experimental VLE data for the ternary and constituent binary mixtures were correlated using the extended Redlich-Kister (ERK) model, which can completely represent the azeotropic points. For the ternary system, a comparison of the experimental and the predicted or correlated boiling points obtained using the Wilson and ERK models showed that the ERK model is more accurate. The valley line, i.e., the curve which divides the patterns of vapor-liquid tie lines, was found in the (methanol + propan-1-ol + DMC) system. This valley line could be represented by the ERK model. Finally, the composition profile for simple distillation of this ternary mixture was obtained by analysis of the residue curves from the estimated Wilson parameters of the constituent binary mixtures.

  6. Ebulliometric determination and prediction of (vapor + liquid) equilibria for binary and ternary mixtures containing alcohols (C1-C4) and dimethyl carbonate

    International Nuclear Information System (INIS)

    Matsuda, Hiroyuki; Fukano, Makoto; Kikkawa, Shinichiro; Constantinescu, Dana; Kurihara, Kiyofumi; Tochigi, Katsumi; Ochi, Kenji; Gmehling, Juergen

    2012-01-01

    Highlights: → The VLE behavior of systems containing dimethyl carbonate (DMC) was investigated. → VLE data for ternary and binary mixtures containing alcohol and DMC were measured. → Several activity coefficient models were used for data reduction or prediction. → Valley line, i.e., distillation boundary, was observed for the ternary mixture. → Residue curves were calculated to investigate composition profile for distillation. - Abstract: (Vapor + liquid) equilibrium (VLE) data for a ternary mixture, namely {methanol + propan-1-ol + dimethyl carbonate (DMC)}, and four binary mixtures, namely an {alcohol (C 3 or C 4 ) + DMC}, containing the binary constituent mixtures of the ternary mixture, were measured at p = (40.00 to 93.32) kPa using a modified Swietoslawski-type ebulliometer. The experimental data for the binary systems were correlated using the Wilson model. The Wilson model was also applied to the ternary system to predict the VLE behavior using parameters from the binary mixtures. The modified UNIFAC (Dortmund) model was also tested for the predictions of the VLE behavior of the binary and ternary mixtures. In addition, the experimental VLE data for the ternary and constituent binary mixtures were correlated using the extended Redlich-Kister (ERK) model, which can completely represent the azeotropic points. For the ternary system, a comparison of the experimental and the predicted or correlated boiling points obtained using the Wilson and ERK models showed that the ERK model is more accurate. The valley line, i.e., the curve which divides the patterns of vapor-liquid tie lines, was found in the (methanol + propan-1-ol + DMC) system. This valley line could be represented by the ERK model. Finally, the composition profile for simple distillation of this ternary mixture was obtained by analysis of the residue curves from the estimated Wilson parameters of the constituent binary mixtures.

  7. Approaches and models of intercultural education

    Directory of Open Access Journals (Sweden)

    Iván Manuel Sánchez Fontalvo

    2013-10-01

    Full Text Available Needed to be aware of the need to build an intercultural society, awareness must be assumed in all social spheres, where stands the role play education. A role of transcendental, since it must promote educational spaces to form people with virtues and powers that allow them to live together / as in multicultural contexts and social diversities (sometimes uneven in an increasingly globalized and interconnected world, and foster the development of feelings of civic belonging shared before the neighborhood, city, region and country, allowing them concern and critical judgement to marginalization, poverty, misery and inequitable distribution of wealth, causes of structural violence, but at the same time, wanting to work for the welfare and transformation of these scenarios. Since these budgets, it is important to know the approaches and models of intercultural education that have been developed so far, analysing their impact on the contexts educational where apply.   

  8. Transport modeling: An artificial immune system approach

    Directory of Open Access Journals (Sweden)

    Teodorović Dušan

    2006-01-01

    Full Text Available This paper describes an artificial immune system approach (AIS to modeling time-dependent (dynamic, real time transportation phenomenon characterized by uncertainty. The basic idea behind this research is to develop the Artificial Immune System, which generates a set of antibodies (decisions, control actions that altogether can successfully cover a wide range of potential situations. The proposed artificial immune system develops antibodies (the best control strategies for different antigens (different traffic "scenarios". This task is performed using some of the optimization or heuristics techniques. Then a set of antibodies is combined to create Artificial Immune System. The developed Artificial Immune transportation systems are able to generalize, adapt, and learn based on new knowledge and new information. Applications of the systems are considered for airline yield management, the stochastic vehicle routing, and real-time traffic control at the isolated intersection. The preliminary research results are very promising.

  9. System approach to modeling of industrial technologies

    Science.gov (United States)

    Toropov, V. S.; Toropov, E. S.

    2018-03-01

    The authors presented a system of methods for modeling and improving industrial technologies. The system consists of information and software. The information part is structured information about industrial technologies. The structure has its template. The template has several essential categories used to improve the technological process and eliminate weaknesses in the process chain. The base category is the physical effect that takes place when the technical process proceeds. The programming part of the system can apply various methods of creative search to the content stored in the information part of the system. These methods pay particular attention to energy transformations in the technological process. The system application will allow us to systematize the approach to improving technologies and obtaining new technical solutions.

  10. Fac–mer equilibria of coordinated iminodiacetate (ida ) in ternary Cu ...

    Indian Academy of Sciences (India)

    Unknown

    Keywords. Fac–mer equilibria; CuII-iminodiacetate-imidazole/benzimidazole ternary complexes; stability constants. 1. Introduction. Mixed ligand complexes of transition metal ions with amino acids, peptides or their derivatives or analogues, and heterocyclic N-bases can serve as model compounds of bioinorganic interests ...

  11. ECOMOD - An ecological approach to radioecological modelling

    International Nuclear Information System (INIS)

    Sazykina, Tatiana G.

    2000-01-01

    A unified methodology is proposed to simulate the dynamic processes of radionuclide migration in aquatic food chains in parallel with their stable analogue elements. The distinguishing feature of the unified radioecological/ecological approach is the description of radionuclide migration along with dynamic equations for the ecosystem. The ability of the methodology to predict the results of radioecological experiments is demonstrated by an example of radionuclide (iron group) accumulation by a laboratory culture of the algae Platymonas viridis. Based on the unified methodology, the 'ECOMOD' radioecological model was developed to simulate dynamic radioecological processes in aquatic ecosystems. It comprises three basic modules, which are operated as a set of inter-related programs. The 'ECOSYSTEM' module solves non-linear ecological equations, describing the biomass dynamics of essential ecosystem components. The 'RADIONUCLIDE DISTRIBUTION' module calculates the radionuclide distribution in abiotic and biotic components of the aquatic ecosystem. The 'DOSE ASSESSMENT' module calculates doses to aquatic biota and doses to man from aquatic food chains. The application of the ECOMOD model to reconstruct the radionuclide distribution in the Chernobyl Cooling Pond ecosystem in the early period after the accident shows good agreement with observations

  12. Modelling Approach In Islamic Architectural Designs

    Directory of Open Access Journals (Sweden)

    Suhaimi Salleh

    2014-06-01

    Full Text Available Architectural designs contribute as one of the main factors that should be considered in minimizing negative impacts in planning and structural development in buildings such as in mosques. In this paper, the ergonomics perspective is revisited which hence focuses on the conditional factors involving organisational, psychological, social and population as a whole. This paper tries to highlight the functional and architectural integration with ecstatic elements in the form of decorative and ornamental outlay as well as incorporating the building structure such as wall, domes and gates. This paper further focuses the mathematical aspects of the architectural designs such as polar equations and the golden ratio. These designs are modelled into mathematical equations of various forms, while the golden ratio in mosque is verified using two techniques namely, the geometric construction and the numerical method. The exemplary designs are taken from theSabah Bandaraya Mosque in Likas, Kota Kinabalu and the Sarawak State Mosque in Kuching,while the Universiti Malaysia Sabah Mosque is used for the Golden Ratio. Results show thatIslamic architectural buildings and designs have long had mathematical concepts and techniques underlying its foundation, hence, a modelling approach is needed to rejuvenate these Islamic designs.

  13. The ternary system nickel-nobium-carbon

    International Nuclear Information System (INIS)

    Stadelmaier, H.H.; Fiedler, M.L.

    1975-01-01

    The ternary system nickel-niobium-carbon was studied by metallographic and X-ray diffraction methods to produce a liquidus projection and an isothermal section at 1,100 0 C. The liquidus projection is dominated by a wide field of primary NbC that extends far into the nickel corner of the composition triangle. Only one ternary compound is observed in this system, an eta-carbide formed in a peritectoid reaction. It has a narrow homogeneity range at Ni 2 Nb 4 C, and its lattice constant in alloys quenched from 1,100 0 C varies between 11.659 and 11.667 A. No eta-carbide Ni 3 Nb 3 C or Ni 6 Nb 6 could be detected. (orig.) [de

  14. An integrated approach to permeability modeling using micro-models

    Energy Technology Data Exchange (ETDEWEB)

    Hosseini, A.H.; Leuangthong, O.; Deutsch, C.V. [Society of Petroleum Engineers, Canadian Section, Calgary, AB (Canada)]|[Alberta Univ., Edmonton, AB (Canada)

    2008-10-15

    An important factor in predicting the performance of steam assisted gravity drainage (SAGD) well pairs is the spatial distribution of permeability. Complications that make the inference of a reliable porosity-permeability relationship impossible include the presence of short-scale variability in sand/shale sequences; preferential sampling of core data; and uncertainty in upscaling parameters. Micro-modelling is a simple and effective method for overcoming these complications. This paper proposed a micro-modeling approach to account for sampling bias, small laminated features with high permeability contrast, and uncertainty in upscaling parameters. The paper described the steps and challenges of micro-modeling and discussed the construction of binary mixture geo-blocks; flow simulation and upscaling; extended power law formalism (EPLF); and the application of micro-modeling and EPLF. An extended power-law formalism to account for changes in clean sand permeability as a function of macroscopic shale content was also proposed and tested against flow simulation results. There was close agreement between the model and simulation results. The proposed methodology was also applied to build the porosity-permeability relationship for laminated and brecciated facies of McMurray oil sands. Experimental data was in good agreement with the experimental data. 8 refs., 17 figs.

  15. Design of ternary clocked adiabatic static random access memory

    International Nuclear Information System (INIS)

    Wang Pengjun; Mei Fengna

    2011-01-01

    Based on multi-valued logic, adiabatic circuits and the structure of ternary static random access memory (SRAM), a design scheme of a novel ternary clocked adiabatic SRAM is presented. The scheme adopts bootstrapped NMOS transistors, and an address decoder, a storage cell and a sense amplifier are charged and discharged in the adiabatic way, so the charges stored in the large switch capacitance of word lines, bit lines and the address decoder can be effectively restored to achieve energy recovery during reading and writing of ternary signals. The PSPICE simulation results indicate that the ternary clocked adiabatic SRAM has a correct logic function and low power consumption. Compared with ternary conventional SRAM, the average power consumption of the ternary adiabatic SRAM saves up to 68% in the same conditions. (semiconductor integrated circuits)

  16. Design of ternary clocked adiabatic static random access memory

    Science.gov (United States)

    Pengjun, Wang; Fengna, Mei

    2011-10-01

    Based on multi-valued logic, adiabatic circuits and the structure of ternary static random access memory (SRAM), a design scheme of a novel ternary clocked adiabatic SRAM is presented. The scheme adopts bootstrapped NMOS transistors, and an address decoder, a storage cell and a sense amplifier are charged and discharged in the adiabatic way, so the charges stored in the large switch capacitance of word lines, bit lines and the address decoder can be effectively restored to achieve energy recovery during reading and writing of ternary signals. The PSPICE simulation results indicate that the ternary clocked adiabatic SRAM has a correct logic function and low power consumption. Compared with ternary conventional SRAM, the average power consumption of the ternary adiabatic SRAM saves up to 68% in the same conditions.

  17. Risk communication: a mental models approach

    National Research Council Canada - National Science Library

    Morgan, M. Granger (Millett Granger)

    2002-01-01

    ... information about risks. The procedure uses approaches from risk and decision analysis to identify the most relevant information; it also uses approaches from psychology and communication theory to ensure that its message is understood. This book is written in nontechnical terms, designed to make the approach feasible for anyone willing to try it. It is illustrat...

  18. High-performance thermoelectric materials based on ternary TiO2/CNT/PANI composites.

    Science.gov (United States)

    Erden, Fuat; Li, Hui; Wang, Xizu; Wang, FuKe; He, Chaobin

    2018-04-04

    In the present work, we report the fabrication of high-performance thermoelectric materials using TiO2/CNT/PANI ternary composites. We showed that a conductivity of ∼2730 S cm-1 can be achieved for the binary CNT (70%)/PANI (30%) composite, which is the highest recorded value for the reported CNT/PANI composites. We further demonstrated that the Seebeck coefficient of CNT/PANI composites could be enhanced by incorporating TiO2 nanoparticles into the binary CNT/PANI composites, which could be attributed to lower carrier density and the energy scattering of low-energy carriers at the interfaces of TiO2/a-CNT and TiO2/PANI. The resulting TiO2/a-CNT/PANI ternary system exhibits a higher Seebeck coefficient and enhanced thermoelectric power. Further optimization of the thermoelectric power was achieved by water treatment and by tuning the processing temperature. A high thermoelectric power factor of 114.5 μW mK-2 was obtained for the ternary composite of 30% TiO2/70% (a-CNT (70%)/PANI (30%)), which is the highest reported value among the reported PANI based ternary composites. The improvement of thermoelectric performance by incorporation of TiO2 suggests a promising approach to enhance power factor of organic thermoelectric materials by judicial tuning of the carrier concentration and electrical conductivity.

  19. A Multi-Model Approach for System Diagnosis

    DEFF Research Database (Denmark)

    Niemann, Hans Henrik; Poulsen, Niels Kjølstad; Bækgaard, Mikkel Ask Buur

    2007-01-01

    A multi-model approach for system diagnosis is presented in this paper. The relation with fault diagnosis as well as performance validation is considered. The approach is based on testing a number of pre-described models and find which one is the best. It is based on an active approach......,i.e. an auxiliary input to the system is applied. The multi-model approach is applied on a wind turbine system....

  20. Investigations of the ternary system beryllium-carbon-tungsten and analyses of beryllium on carbon surfaces

    International Nuclear Information System (INIS)

    Kost, Florian

    2009-01-01

    Beryllium, carbon and tungsten are planned to be used as first wall materials in the future fusion reactor ITER. The aim of this work is a characterization of mixed material formation induced by thermal load. To this end, model systems (layers) were prepared and investigated, which give insight into the basic physical and chemical concepts. Before investigating ternary systems, the first step was to analyze the binary systems Be/C and Be/W (bottom-up approach), where the differences between the substrates PG (pyrolytic graphite) and HOPG (highly oriented pyrolytic graphite) were of special interest. Particularly X-ray photoelectron spectroscopy (XPS), low energy ion scattering (ISS) and Rutherford backscattering spectroscopy (RBS) were used as analysis methods. Beryllium evaporated on carbon shows an island growth mode, whereas a closed layer can be assumed for layer thicknesses above 0.7 nm. Annealing of the Be/C system induces Be 2 C island formation for T≥770 K. At high temperatures (T≥1170 K), beryllium carbide dissociates, resulting in (metallic) beryllium desorption. For HOPG, carbide formation starts at higher temperatures compared to PG. Activation energies for the diffusion processes were determined by analyzing the decreasing beryllium amount versus annealing time. Surface morphologies were characterized using angle-resolved XPS (ARXPS) and atomic force microscopy (AFM). Experiments were performed to study processes in the Be/W system in the temperature range from 570 to 1270 K. Be 2 W formation starts at 670 K, a complete loss of Be 2 W is observed at 1170 K due to dissociation (and subsequent beryllium desorption). Regarding ternary systems, particularly Be/C/W and C/Be/W were investigated, attaching importance to layer thickness (reservoir) variations. At room temperature, Be 2 C, W 2 C, WC and Be 2 W formation at the respective interfaces was observed. Further Be 2 C is forming with increasing annealing temperatures. Depending on the layer

  1. Ternary q-Virasoro-Witt Hom-Nambu-Lie algebras

    International Nuclear Information System (INIS)

    Ammar, F; Makhlouf, A; Silvestrov, S

    2010-01-01

    In this paper we construct ternary q-Virasoro-Witt algebras which q-deform the ternary Virasoro-Witt algebras constructed by Curtright, Fairlie and Zachos using su(1, 1) enveloping algebra techniques. The ternary Virasoro-Witt algebras constructed by Curtright, Fairlie and Zachos depend on a parameter and are not Nambu-Lie algebras for all but finitely many values of this parameter. For the parameter values for which the ternary Virasoro-Witt algebras are Nambu-Lie, the corresponding ternary q-Virasoro-Witt algebras constructed in this paper are also Hom-Nambu-Lie because they are obtained from the ternary Nambu-Lie algebras using the composition method. For other parameter values this composition method does not yield a Hom-Nambu-Lie algebra structure for q-Virasoro-Witt algebras. We show however, using a different construction, that the ternary Virasoro-Witt algebras of Curtright, Fairlie and Zachos, as well as the general ternary q-Virasoro-Witt algebras we construct, carry a structure of the ternary Hom-Nambu-Lie algebra for all values of the involved parameters.

  2. Description of light charged particle emission in ternary fission

    International Nuclear Information System (INIS)

    Andreev, A. V.; Adamian, G. G.; Antonenko, N. V.; Kuklin, S. N.; Scheid, W.

    2010-01-01

    We consider the motion of three fragments starting from the scission point of ternary system. In the alpha-accompanied ternary fission the initial conditions are not the free parameters and determined by minimization of potential energy at scission point. In the trajectory calculations the angular distribution and mean value of the kinetic energy of the alpha-particles are well described in the spontaneous ternary fission of 252 Cf. In the Be- and C-accompanied ternary fission we found that the emission of the third particle occurs from one of the heavy fragments after their separation. (authors)

  3. Role of ternary fission in synthesis of bypassed nuclei

    International Nuclear Information System (INIS)

    Kramarovskij, Ya.M.; Chechev, V.P.

    1983-01-01

    A possible influence of ternary fission with escape of neutron-enriched light charged particles on the synthesis of bypassed nuclides is considered. It is shown that this concept cannot give explanation of bypassed isotope concentrations, but it can make some contribution, if the probability of ternary fission for superheavy nuclei grows sharply with Z 2 /A parameter. The account of β-delayed fission contributes to the shift of ternary fission fragments into the region of neutron-deficient isotopes. Consistent consideration of the ternary fission role in the nucleosynthesis is possible only with an important accumulation of experimental and theoretical data on this process, particularly for the nuclei with Z > 100

  4. A tunable amorphous p-type ternary oxide system: The highly mismatched alloy of copper tin oxide

    Energy Technology Data Exchange (ETDEWEB)

    Isherwood, Patrick J. M., E-mail: P.J.M.Isherwood@lboro.ac.uk; Walls, John M. [CREST, School of Electronic, Electrical and Systems Engineering, Loughborough University, Loughborough, Leicestershire LE11 3TU (United Kingdom); Butler, Keith T.; Walsh, Aron [Centre for Sustainable Technologies and Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY (United Kingdom)

    2015-09-14

    The approach of combining two mismatched materials to form an amorphous alloy was used to synthesise ternary oxides of CuO and SnO{sub 2}. These materials were analysed across a range of compositions, and the electronic structure was modelled using density functional theory. In contrast to the gradual reduction in optical band gap, the films show a sharp reduction in both transparency and electrical resistivity with copper contents greater than 50%. Simulations indicate that this change is caused by a transition from a dominant Sn 5s to Cu 3d contribution to the upper valence band. A corresponding decrease in energetic disorder results in increased charge percolation pathways: a “compositional mobility edge.” Contributions from Cu(II) sub band-gap states are responsible for the reduction in optical transparency.

  5. Computational and Game-Theoretic Approaches for Modeling Bounded Rationality

    NARCIS (Netherlands)

    L. Waltman (Ludo)

    2011-01-01

    textabstractThis thesis studies various computational and game-theoretic approaches to economic modeling. Unlike traditional approaches to economic modeling, the approaches studied in this thesis do not rely on the assumption that economic agents behave in a fully rational way. Instead, economic

  6. Effect of Ni-Co Ternary Molten Salt Catalysts on Coal Catalytic Pyrolysis Process

    Science.gov (United States)

    Cui, Xin; Qi, Cong; Li, Liang; Li, Yimin; Li, Song

    2017-08-01

    In order to facilitate efficient and clean utilization of coal, a series of Ni-Co ternary molten salt crystals are explored and the catalytic pyrolysis mechanism of Datong coal is investigated. The reaction mechanisms of coal are achieved by thermal gravimetric analyzer (TGA), and a reactive kinetic model is constructed. The microcosmic structure and macerals are observed by scanning electron microscope (SEM). The catalytic effects of ternary molten salt crystals at different stages of pyrolysis are analyzed. The experimental results show that Ni-Co ternary molten salt catalysts have the capability to bring down activation energy required by pyrolytic reactions at its initial phase. Also, the catalysts exert a preferable catalytic action on macromolecular structure decomposition and free radical polycondensation reactions. Furthermore, the high-temperature condensation polymerization is driven to decompose further with a faster reaction rate by the additions of Ni-Co ternary molten salt crystal catalysts. According to pyrolysis kinetic research, the addition of catalysts can effectively decrease the activation energy needed in each phase of pyrolysis reaction.

  7. Phase equilibria in the ternary In-Ni-Sn system at 700 °C.

    Science.gov (United States)

    Schmetterer, C; Zemanova, A; Flandorfer, H; Kroupa, A; Ipser, H

    2013-04-01

    The phase equilibria of the ternary system In-Ni-Sn were investigated experimentally at 700 °C using X-ray diffraction (XRD) and scanning electron microscopy (SEM) including electron micro probe analysis (EMPA) and energy dispersive X-ray spectroscopy (EDX). A corresponding isothermal section was established based on these results. This particular temperature was chosen because it allowed obtaining reliable results within reasonable time. The existence of the ternary phase InNi 6 Sn 5 was confirmed whereas the ternary compound In 2 NiSn, reported earlier in literature, was found to be part of a large solid solution field based on binary InNi. The ternary solubility of the binary phases was established, and continuous solid solutions were found between the isostructural phases Ni 3 Sn LT and InNi 3 as well as between Ni 3 Sn 2 HT and InNi 2 . In addition, this isothermal section could be well reproduced by CALPHAD modelling. The resulting calculated isotherm at 700 °C is presented, too, and compared with the experimental results.

  8. Organic alloy systems suitable for the investigation of regular binary and ternary eutectic growth

    Science.gov (United States)

    Sturz, L.; Witusiewicz, V. T.; Hecht, U.; Rex, S.

    2004-09-01

    Transparent organic alloys showing a plastic crystal phase were investigated experimentally using differential scanning calorimetry and directional solidification with respect to find a suitable model system for regular ternary eutectic growth. The temperature, enthalpy and entropy of phase transitions have been determined for a number of pure substances. A distinction of substances with and without plastic crystal phases was made from their entropy of melting. Binary phase diagrams were determined for selected plastic crystal alloys with the aim to identify eutectic reactions. Examples for lamellar and rod-like eutectic solidification microstructures in binary systems are given. The system (D)Camphor-Neopentylglycol-Succinonitrile is identified as a system that exhibits, among others, univariant and a nonvariant eutectic reaction. The ternary eutectic alloy close to the nonvariant eutectic composition solidifies with a partially faceted solid-liquid interface. However, by adding a small amount of Amino-Methyl-Propanediol (AMPD), the temperature of the nonvariant eutectic reaction and of the solid state transformation from plastic to crystalline state are shifted such, that regular eutectic growth with three distinct nonfaceted phases is observed in univariant eutectic reaction for the first time. The ternary phase diagram and examples for eutectic microstructures in the ternary and the quaternary eutectic alloy are given.

  9. A Discrete Monetary Economic Growth Model with the MIU Approach

    Directory of Open Access Journals (Sweden)

    Wei-Bin Zhang

    2008-01-01

    Full Text Available This paper proposes an alternative approach to economic growth with money. The production side is the same as the Solow model, the Ramsey model, and the Tobin model. But we deal with behavior of consumers differently from the traditional approaches. The model is influenced by the money-in-the-utility (MIU approach in monetary economics. It provides a mechanism of endogenous saving which the Solow model lacks and avoids the assumption of adding up utility over a period of time upon which the Ramsey approach is based.

  10. Excess enthalpies of binary and ternary mixtures containing dibutyl ether (DBE), 1-butanol, and heptane at T = 298.15 K and 313.15 K

    Energy Technology Data Exchange (ETDEWEB)

    Aguilar, Fernando; Alaoui, Fatima E.M. [Departamento de Ingenieria Electromecanica, Escuela Politecnica Superior, Universidad de Burgos, E-09006 Burgos (Spain); Segovia, Jose J.; Villamanan, Miguel A. [Grupo de Termodinamica y Calibracion TERMOCAL, E.T.S. de Ingenieros Industriales, Universidad de Valladolid, E-47071 Valladolid (Spain); Montero, Eduardo A., E-mail: emontero@ubu.e [Departamento de Ingenieria Electromecanica, Escuela Politecnica Superior, Universidad de Burgos, E-09006 Burgos (Spain)

    2010-01-15

    Experimental excess molar enthalpies of the ternary systems left bracedibutyl ether (DBE) + 1-butanol + heptaneright brace and the corresponding binary systems at T = 298.15 K and T = 313.15 K at atmospheric pressure are reported. A quasi-isothermal flow calorimeter has been used to make the measurements. All the binary and the ternary systems show endothermic character. The experimental data for the binary and ternary systems have been fitted using the Redlich-Kister equation, the NRTL and UNIQUAC models. The values of the standard deviation indicate good agreement between the experimental results and those calculated from the equations.

  11. Excess enthalpies of binary and ternary mixtures containing dibutyl ether (DBE), 1-butanol, and heptane at T = 298.15 K and 313.15 K

    International Nuclear Information System (INIS)

    Aguilar, Fernando; Alaoui, Fatima E.M.; Segovia, Jose J.; Villamanan, Miguel A.; Montero, Eduardo A.

    2010-01-01

    Experimental excess molar enthalpies of the ternary systems {dibutyl ether (DBE) + 1-butanol + heptane} and the corresponding binary systems at T = 298.15 K and T = 313.15 K at atmospheric pressure are reported. A quasi-isothermal flow calorimeter has been used to make the measurements. All the binary and the ternary systems show endothermic character. The experimental data for the binary and ternary systems have been fitted using the Redlich-Kister equation, the NRTL and UNIQUAC models. The values of the standard deviation indicate good agreement between the experimental results and those calculated from the equations.

  12. Mathematical Modelling Approach in Mathematics Education

    Science.gov (United States)

    Arseven, Ayla

    2015-01-01

    The topic of models and modeling has come to be important for science and mathematics education in recent years. The topic of "Modeling" topic is especially important for examinations such as PISA which is conducted at an international level and measures a student's success in mathematics. Mathematical modeling can be defined as using…

  13. Measurement and correlation of critical properties for binary mixtures and ternary mixtures containing gasoline additives

    International Nuclear Information System (INIS)

    Wang, Lipu; Han, Kewei; Xia, Shuqian; Ma, Peisheng; Yan, Fangyou

    2014-01-01

    Highlights: • A high-pressure view cell was used to measure the critical properties of mixtures. • Three binary mixtures’ and three ternary mixtures’ critical properties were reported. • The experimental data of each system covered the whole mole fraction range. • The critical properties of the ternary mixtures were predicted with the PR–WS model. • Empirical equations were used to correlate the experimental results. - Abstract: The critical properties of three binary mixtures and three ternary mixtures containing gasoline additives (including methanol + 1-propanol, heptane + ethanol, heptane + 1-propanol, methanol + 1-propanol + heptane, methanol + 1-propanol + methyl tert-butyl ether (MTBE), and ethanol + heptane + MTBE) were determined by a high-pressure cell. All the critical lines of binary mixtures belong to the type I described by Scott and van Konynenburg. The system of methanol + 1-propanol showed little non-ideal behavior due to their similar molecular structures. The heptane + ethanol and heptane + 1-propanol systems showed visible non-ideal behavior for their great differences in molecular structure. The Peng–Robinson equation of state combined with the Wong–Sandler mixing rule (PR–WS) was applied to correlate the critical properties of binary mixtures. The critical points of the three ternary mixtures were predicted by the PR–WS model with the binary interaction parameters using the procedure proposed by Heidemann and Khalil. The predicted critical temperatures were in good agreement with the experimental values, while the predicted critical pressures differed from the measured values. The experimental values of binary mixtures were fitted well with the Redlich–Kister equation. The critical properties of ternary mixtures were correlated with the Cibulka’s equation, and the critical surfaces were plotted using the Cibulka’s equations

  14. A Multivariate Approach to Functional Neuro Modeling

    DEFF Research Database (Denmark)

    Mørch, Niels J.S.

    1998-01-01

    by the application of linear and more flexible, nonlinear microscopic regression models to a real-world dataset. The dependency of model performance, as quantified by generalization error, on model flexibility and training set size is demonstrated, leading to the important realization that no uniformly optimal model......, provides the basis for a generalization theoretical framework relating model performance to model complexity and dataset size. Briefly summarized the major topics discussed in the thesis include: - An introduction of the representation of functional datasets by pairs of neuronal activity patterns...... exists. - Model visualization and interpretation techniques. The simplicity of this task for linear models contrasts the difficulties involved when dealing with nonlinear models. Finally, a visualization technique for nonlinear models is proposed. A single observation emerges from the thesis...

  15. Rival approaches to mathematical modelling in immunology

    Science.gov (United States)

    Andrew, Sarah M.; Baker, Christopher T. H.; Bocharov, Gennady A.

    2007-08-01

    In order to formulate quantitatively correct mathematical models of the immune system, one requires an understanding of immune processes and familiarity with a range of mathematical techniques. Selection of an appropriate model requires a number of decisions to be made, including a choice of the modelling objectives, strategies and techniques and the types of model considered as candidate models. The authors adopt a multidisciplinary perspective.

  16. Measurement and calculation of solid–liquid equilibrium for ternary systems of 3,4-dichloronitrobenzene + 2,3-dichloronitrobenzene + ethanol/n-propanol

    International Nuclear Information System (INIS)

    Li, Rongrong; Han, Shuo; Du, Cunbin; Meng, Long; Wang, Jian; Zhao, Hongkun

    2016-01-01

    Highlights: • Solid–liquid-phase equilibrium for two ternary systems was determined. • Six ternary phase diagrams were constructed for the two ternary systems. • The ternary phase diagrams were calculated by NRTL model. - Abstract: The stable (solid + liquid) phase equilibrium in ternary systems of 3,4-dichloronitrobenzene + 2,3-dichloronitrobenzene + ethanol and 3,4-dichloronitrobenzene + 2,3-dichloronitrobenzene + n-propanol at three temperatures was determined by means of an isothermal solution saturation method under pressure p = 101.2 kPa. The isothermal phase diagrams of the two ternary systems were plotted on the basis of the experimental mutual solubility data. The equilibrium solids formed in the two systems were identified by Schreinemakers’ method of wet residues. It was found that each phase diagram included one co-saturated point, two co-saturated curves and three crystallization zones in the ternary systems of 3,4-dichloronitrobenzene + 2,3-dichloronitrobenzene + ethanol and 3,4-dichloronitrobenzene + 2,3-dichloronitrobenzene + n-propanol. Two pure solid phases were formed in the studied systems, which were pure 2,3-dichloronitrobenzene and pure 3,4-dichloronitrobenzene. The crystallization zone of 3,4-dichloronitrobenzene was smaller than that of 2,3-dichloronitrobenzene at a given temperature, which showed that 2,3-dichloronitrobenzene could be easily separated from the solution. Furthermore, the solid–liquid phase diagrams were calculated by using NRTL model. The calculated phase diagrams agreed well with the experimental ones. Knowledge of (solid + liquid) phase equilibrium and ternary phase diagrams would be very valuable to design and optimize the solvent crystallization process of 2,3-dichloronitrobenzene and other crystallization processes involving the two ternary systems.

  17. A hybrid agent-based approach for modeling microbiological systems.

    Science.gov (United States)

    Guo, Zaiyi; Sloot, Peter M A; Tay, Joc Cing

    2008-11-21

    Models for systems biology commonly adopt Differential Equations or Agent-Based modeling approaches for simulating the processes as a whole. Models based on differential equations presuppose phenomenological intracellular behavioral mechanisms, while models based on Multi-Agent approach often use directly translated, and quantitatively less precise if-then logical rule constructs. We propose an extendible systems model based on a hybrid agent-based approach where biological cells are modeled as individuals (agents) while molecules are represented by quantities. This hybridization in entity representation entails a combined modeling strategy with agent-based behavioral rules and differential equations, thereby balancing the requirements of extendible model granularity with computational tractability. We demonstrate the efficacy of this approach with models of chemotaxis involving an assay of 10(3) cells and 1.2x10(6) molecules. The model produces cell migration patterns that are comparable to laboratory observations.

  18. Hydrothermal synthesis of graphene oxide/multiwalled carbon nanotube/Fe3O4 ternary nanocomposite for removal of Cu (II) and methylene blue

    Science.gov (United States)

    Long, Zhihang; Zhan, Yingqing; Li, Fei; Wan, Xinyi; He, Yi; Hou, Chunyan; Hu, Hai

    2017-09-01

    In this work, highly activated graphene oxide/multiwalled carbon nanotube/Fe3O4 ternary nanocomposite adsorbent was prepared from a simple hydrothermal route by using ferrous sulfate as precursor. For this purpose, the graphene oxide/multiwalled carbon nanotube architectures were formed through the π-π attractions between them, followed by attaching Fe3O4 nanoparticles onto their surface. The structure and composition of as-prepared ternary nanocomposite were characterized by XRD, FTIR, XPS, SEM, TEM, Raman, TGA, and BET. It was found that the resultant porous graphene oxide/multiwalled carbon nanotube/Fe3O4 ternary nanocomposite with large surface area could effectively prevent the π-π stacking interactions between graphene oxide nanosheets and greatly improve sorption sites on the surfaces. Thus, owing to the unique ternary nanocomposite architecture and synergistic effect among various components, as-prepared ternary nanocomposite exhibited high separation efficiency when they were used to remove the Cu (II) and methylene blue from aqueous solutions. Furthermore, the adsorption isotherms of ternary nanocomposite structures for Cu (II) and methylene blue removal fitted the Langmuir isotherm model. This work demonstrated that the graphene oxide/multiwalled carbon nanotube/Fe3O4 ternary nanocomposite was promising as an efficient adsorbent for heavy metal ions and organic dye removal from wastewater in low concentration.

  19. Integral enthalpy of mixing of the liquid ternary Au-Cu-Sn system

    International Nuclear Information System (INIS)

    Knott, S.; Li, Z.; Mikula, A.

    2008-01-01

    The integral enthalpy of mixing of the ternary Au-Cu-Sn has been determined with a Calvet type calorimeter at 6 different cross sections at 1273 K. The substitutional solution model of Redlich-Kister-Muggianu was used for a least square fit of the experimental data in order to get an analytical expression for the integral enthalpy of mixing. The ternary extrapolation models of Kohler, Muggianu and Toop were used to calculate the integral enthalpy of mixing and to compare measured and extrapolated values. Additional calculations of the integral enthalpy of mixing using the Chou model have been performed. With the calculated data, the iso-enthalpy lines have been determined using the Redlich-Kister-Muggianu model. A comparison of the data has been made

  20. Neutron Damage and MAX Phase Ternary Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Barsoum, Michael [Drexel Univ., Philadelphia, PA (United States); Hoffman, Elizabeth [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Sindelar, Robert [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Garcua-Duaz, Brenda [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Kohse, Gordon [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

    2014-06-17

    The Demands of Gen IV nuclear power plants for long service life under neutron radiation at high temperature are severe. Advanced materials that would withstand high temperatures (up to 1000+ C) to high doses in a neutron field would be ideal for reactor internal structures and would add to the long service life and reliability of the reactors. The objective of this work is to investigate the response of a new class of machinable, conductive, layered, ternary transition metal carbides and nitrides - the so-called MAX phases - to low and moderate neutron dose levels.

  1. Neutron Damage and MAX Phase Ternary Compounds

    International Nuclear Information System (INIS)

    Barsoum, Michael; Hoffman, Elizabeth; Sindelar, Robert; Garcua-Diaz, Brenda; Kohse, Gordon

    2014-01-01

    The Demands of Gen IV nuclear power plants for long service life under neutron radiation at high temperature are severe. Advanced materials that would withstand high temperatures (up to 1000+ C) to high doses in a neutron field would be ideal for reactor internal structures and would add to the long service life and reliability of the reactors. The objective of this work is to investigate the response of a new class of machinable, conductive, layered, ternary transition metal carbides and nitrides - the so-called MAX phases - to low and moderate neutron dose levels.

  2. Experimental and theoretical excess molar enthalpies of ternary and binary mixtures containing 2-Methoxy-2-Methylpropane, 1-propanol, heptane

    International Nuclear Information System (INIS)

    Mato, Marta M.; Cebreiro, Susana M.; Paz Andrade, María Inmaculada; Legido, José Luis

    2013-01-01

    Highlights: • Experimental enthalpies for the ternary system MTBE + propanol + heptane were measured. • No experimental ternary values were found in the currently available literature. • Experimental enthalpies for the binary system propanol + heptane were measured. • Excess molar enthalpies are positive over the whole range of composition. • The ternary contribution is also positive, and the representation is asymmetric. -- Abstract: Excess molar enthalpies, at the temperature of 298.15 K and atmospheric pressure, have been measured for the ternary system {x 1 2-Methoxy-2-Methylpropane (MTBE) + x 2 1-propanol + (1 − x 1 − x 2 ) heptane}, over the whole composition range. Also, experimental data of excess molar enthalpy for the involved binary mixture {x 1-propanol + (1 − x) heptane} at the 298.15 K and atmospheric pressure, are reported. We are not aware of any previous experimental measurement of excess enthalpy in the literature for the ternary system presented in this study. Values of the excess molar enthalpies were measured using a Calvet microcalorimeter. The ternary contribution to the excess enthalpy was correlated with the equation due to Morris et al. (1975) [15], and the equation proposed by Myers–Scott (1963) [14] was used to fitted the experimental binary mixture measured in this work. Additionally, the experimental results are compared with the estimations obtained by applying the group contribution model of UNIFAC, in the versions of Larsen et al. (1987) [16] and Gmehling et al. (1993) [17]. Several empirical expressions for estimating ternary properties from binary results were also tested

  3. Photophysical study of blue-light excitable ternary Eu(III) complexes and their encapsulation into polystyrene nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Räsänen, Markus, E-mail: mpvras@utu.fi [Department of Chemistry, University of Turku, FIN-20014 Turku (Finland); Takalo, Harri [DHR Finland Oy, Innotrac Diagnostics, Biolinja 12, FIN-20750 Turku (Finland); Soukka, Tero [Department of Biochemistry/Biotechnology, University of Turku, FIN-20014 Turku (Finland); Haapakka, Keijo; Kankare, Jouko [Department of Chemistry, University of Turku, FIN-20014 Turku (Finland)

    2015-04-15

    In this work, 14 ternary Eu(III) complexes were studied by means of spectroscopy. The studied Eu(III) complexes consisted of Lewis bases (4′-(4-diethylaminophenyl)-2,2′:6′,2″-terpyridine (L{sup 8}) or 1,10-phenanthroline (L{sup 9})) and differently substituted β-diketones. The ternary complexes with L{sup 8} show the excitation peak at 405 nm and the quantum yield even 76%. The brightest ternary complex at the 405 nm excitation was Eu(L{sup 3}){sub 3}L{sup 8} while Eu(L{sup 7}){sub 3}L{sup 8} (HL{sup 3}=4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione, HL{sup 7}=1-(9-ethyl-9H-carbazol-3-yl)-4,4,5,5,5-pentafluoro-1,3-pentanedione) was found to be the brightest at the ligand-centred excitation maximum. The ternary complexes were studied mainly in toluene as the model environment for the polystyrene nanoparticle cavities. The complexes were successfully loaded into the polystyrene nanoparticles enabling their bioanalytical application in aqueous environment. The encapsulation of the complexes preserved, or even enhanced, their good photophysical features. - Highlights: • Ternary Eu{sup 3+} complexes with some β-diketone and substituted terpyridine were studied. • Ternary complexes with substituted terpyridine showed blue-light excitability. • Ternary complexes were successfully loaded into the polystyrene nanoparticles. • Encapsulation of the complexes preserved their good photophysical features.

  4. Numerical modelling approach for mine backfill

    Indian Academy of Sciences (India)

    Muhammad Zaka Emad

    2017-07-24

    Jul 24, 2017 ... conditions. This paper discusses a numerical modelling strategy for modelling mine backfill material. The .... placed in an ore pass that leads the ore to the ore bin and crusher, from ... 1 year, depending on the mine plan.

  5. Uncertainty in biology a computational modeling approach

    CERN Document Server

    Gomez-Cabrero, David

    2016-01-01

    Computational modeling of biomedical processes is gaining more and more weight in the current research into the etiology of biomedical problems and potential treatment strategies.  Computational modeling allows to reduce, refine and replace animal experimentation as well as to translate findings obtained in these experiments to the human background. However these biomedical problems are inherently complex with a myriad of influencing factors, which strongly complicates the model building and validation process.  This book wants to address four main issues related to the building and validation of computational models of biomedical processes: Modeling establishment under uncertainty Model selection and parameter fitting Sensitivity analysis and model adaptation Model predictions under uncertainty In each of the abovementioned areas, the book discusses a number of key-techniques by means of a general theoretical description followed by one or more practical examples.  This book is intended for graduate stude...

  6. OILMAP: A global approach to spill modeling

    International Nuclear Information System (INIS)

    Spaulding, M.L.; Howlett, E.; Anderson, E.; Jayko, K.

    1992-01-01

    OILMAP is an oil spill model system suitable for use in both rapid response mode and long-range contingency planning. It was developed for a personal computer and employs full-color graphics to enter data, set up spill scenarios, and view model predictions. The major components of OILMAP include environmental data entry and viewing capabilities, the oil spill models, and model prediction display capabilities. Graphic routines are provided for entering wind data, currents, and any type of geographically referenced data. Several modes of the spill model are available. The surface trajectory mode is intended for quick spill response. The weathering model includes the spreading, evaporation, entrainment, emulsification, and shoreline interaction of oil. The stochastic and receptor models simulate a large number of trajectories from a single site for generating probability statistics. Each model and the algorithms they use are described. Several additional capabilities are planned for OILMAP, including simulation of tactical spill response and subsurface oil transport. 8 refs

  7. Bond charges and electronic charge transfer in ternary semiconductors

    International Nuclear Information System (INIS)

    Pietsch, U.

    1986-01-01

    By means of a simple molecule-theoretic model of 'linear superposition of two-electron molecules' the bond charges between nearest neighbours and the effective charges of ions are calculated for ternary zinc-blende structure alloys as well as chalcopyrite semiconductors. Taking into account both, the charge transfer among the ions caused by the differences of electronegativities of atoms used and between the bonds created by the internal stress of the lattice a nearly unvaried averaged bond charge amount of the alloy is found, but rather dramatically changed local bond charge parameters in comparison with the respective values of binary compounds used. This fact should influence the noncentral force interaction in such semiconductors. (author)

  8. Embedding complete ternary tree in hypercubes using AVL trees

    NARCIS (Netherlands)

    S.A. Choudum; I. Raman (Indhumathi)

    2008-01-01

    htmlabstractA complete ternary tree is a tree in which every non-leaf vertex has exactly three children. We prove that a complete ternary tree of height h, TTh, is embeddable in a hypercube of dimension . This result coincides with the result of [2]. However, in this paper, the embedding utilizes

  9. Density-Driven segregation in Binary and Ternary Granular Systems

    NARCIS (Netherlands)

    Windows-Yule, Kit; Parker, David

    2015-01-01

    We present a first experimental study of density-induced segregation within a three-dimensional, vibrofluidised, ternary granular system. Using Positron Emission Particle Tracking (PEPT), we study the steady-state particle distributions achieved by binary and ternary granular beds under a variety of

  10. Calculation of ternary interdiffusion coefficients using a single diffusion couple

    Czech Academy of Sciences Publication Activity Database

    Čermák, Jiří; Rothová, Věra

    2016-01-01

    Roč. 54, č. 5 (2016), s. 305-314 ISSN 0023-432X R&D Projects: GA MŠk(CZ) ED1.1.00/02.0068 Institutional support: RVO:68081723 Keywords : diffusion * interdiffusion * ternary alloys * ternary diffusion coefficients Subject RIV: BJ - Thermodynamics Impact factor: 0.366, year: 2016

  11. A high-speed interconnect network using ternary logic

    DEFF Research Database (Denmark)

    Madsen, Jens Kargaard; Long, S. I.

    1995-01-01

    This paper describes the design and implementation of a high-speed interconnect network (ICN) for a multiprocessor system using ternary logic. By using ternary logic and a fast point-to-point communication technique called STARI (Self-Timed At Receiver's Input), the communication between...

  12. Relaxed memory models: an operational approach

    OpenAIRE

    Boudol , Gérard; Petri , Gustavo

    2009-01-01

    International audience; Memory models define an interface between programs written in some language and their implementation, determining which behaviour the memory (and thus a program) is allowed to have in a given model. A minimal guarantee memory models should provide to the programmer is that well-synchronized, that is, data-race free code has a standard semantics. Traditionally, memory models are defined axiomatically, setting constraints on the order in which memory operations are allow...

  13. Modeling composting kinetics: A review of approaches

    NARCIS (Netherlands)

    Hamelers, H.V.M.

    2004-01-01

    Composting kinetics modeling is necessary to design and operate composting facilities that comply with strict market demands and tight environmental legislation. Current composting kinetics modeling can be characterized as inductive, i.e. the data are the starting point of the modeling process and

  14. Conformally invariant models: A new approach

    International Nuclear Information System (INIS)

    Fradkin, E.S.; Palchik, M.Ya.; Zaikin, V.N.

    1996-02-01

    A pair of mathematical models of quantum field theory in D dimensions is analyzed, particularly, a model of a charged scalar field defined by two generations of secondary fields in the space of even dimensions D>=4 and a model of a neutral scalar field defined by two generations of secondary fields in two-dimensional space. 6 refs

  15. Boron-Based Hydrogen Storage: Ternary Borides and Beyond

    Energy Technology Data Exchange (ETDEWEB)

    Vajo, John J. [HRL Laboratories, LLC, Malibu, CA (United States)

    2016-04-28

    DOE continues to seek reversible solid-state hydrogen materials with hydrogen densities of ≥11 wt% and ≥80 g/L that can deliver hydrogen and be recharged at moderate temperatures (≤100 °C) and pressures (≤100 bar) enabling incorporation into hydrogen storage systems suitable for transportation applications. Boron-based hydrogen storage materials have the potential to meet the density requirements given boron’s low atomic weight, high chemical valance, and versatile chemistry. However, the rates of hydrogen exchange in boron-based compounds are thus far much too slow for practical applications. Although contributing to the high hydrogen densities, the high valance of boron also leads to slow rates of hydrogen exchange due to extensive boron-boron atom rearrangements during hydrogen cycling. This rearrangement often leads to multiple solid phases occurring over hydrogen release and recharge cycles. These phases must nucleate and react with each other across solid-solid phase boundaries leading to energy barriers that slow the rates of hydrogen exchange. This project sought to overcome the slow rates of hydrogen exchange in boron-based hydrogen storage materials by minimizing the number of solid phases and the boron atom rearrangement over a hydrogen release and recharge cycle. Two novel approaches were explored: 1) developing matched pairs of ternary borides and mixed-metal borohydrides that could exchange hydrogen with only one hydrogenated phase (the mixed-metal borohydride) and only one dehydrogenated phase (the ternary boride); and 2) developing boranes that could release hydrogen by being lithiated using lithium hydride with no boron-boron atom rearrangement.

  16. Theoretical prediction and experimental confirmation of unusual ternary ordered semiconductor compounds in Sr-Pb-S system.

    Science.gov (United States)

    Hao, Shiqiang; Zhao, Li-Dong; Chen, Chang-Qiang; Dravid, Vinayak P; Kanatzidis, Mercouri G; Wolverton, Christopher M

    2014-01-29

    We examine the thermodynamics of phase separation and ordering in the ternary Ca(x)Pb(1-x)S and Sr(x)Pb(1-x)S systems by density-functional theory combined with a cluster expansion and Monte Carlo simulations. Similar to most other ternary III-V or IV-VI semiconductor alloys, we find that bulk phase separation is thermodynamically preferred for PbS-CaS. However, we predict the surprising existence of stable, ordered ternary compounds in the PbS-SrS system. These phases are previously unreported ordered rocksalt-based compounds: SrPb3S4, SrPbS2, and Sr3PbS4. The stability of these predicted ordered phases is confirmed by transmission electron microscopy observations and band gap measurements. We believe this work paves the way for a combined theory-experiment approach to decipher complex phase relations in multicomponent chalcogenide systems.

  17. Study on effect of L-arginine on solubility and dissolution of Zaltoprofen: Preparation and characterization of binary and ternary cyclodextrin inclusion complexes

    Science.gov (United States)

    Sherje, Atul P.; Patel, Forum; Murahari, Manikanta; Suvarna, Vasanti; Patel, Kavitkumar

    2018-02-01

    The present study demonstrated the binary and ternary complexes of Zaltoprofen (ZPF) with β-CD and HP-β-CD. The products were characterized using solubility, in vitro dissolution, and DSC studies. The mode of interaction of guest and host was revealed through 1H NMR and FT-IR studies. A significant increase was noticed in the stability constant (Kc) and complexation efficiency (CE) of β-CD and HP-β-CD due to addition of L-Arg in ternary complexes. The ternary complexes showed greater increase in solubility and dissolution of ZPF than binary complexes. Thus, ternary system of ZPF could be an innovative approach for its solubility and dissolution enhancement.

  18. (Ternary liquid + liquid) equilibria for (water + acetone + α-pinene, or β-pinene, or limonene) mixtures

    International Nuclear Information System (INIS)

    Li Xiaoli; Tamura, Kazuhiro

    2010-01-01

    (Ternary liquid + liquid) equilibria (tie-lines) of (water + acetone + α-pinene) at T = (288.15, 298.15, and 308.15) K and (water + acetone + β-pinene, or limonene) at T = 298.15 K have been measured. The experimental (ternary liquid + liquid) equilibrium data have been correlated successfully by the original UNIQUAC and modified UNIQUAC models. The modified UNIQUAC model reproduced accurately the experimental results for the (water + acetone + α-pinene) system at all the temperatures but fairly agreed with the experimental data for the (water + acetone + β-pinene, or limonene) systems.

  19. A systemic approach to modelling of radiobiological effects

    International Nuclear Information System (INIS)

    Obaturov, G.M.

    1988-01-01

    Basic principles of the systemic approach to modelling of the radiobiological effects at different levels of cell organization have been formulated. The methodology is proposed for theoretical modelling of the effects at these levels

  20. Symmetric weak ternary quantum homomorphic encryption schemes

    Science.gov (United States)

    Wang, Yuqi; She, Kun; Luo, Qingbin; Yang, Fan; Zhao, Chao

    2016-03-01

    Based on a ternary quantum logic circuit, four symmetric weak ternary quantum homomorphic encryption (QHE) schemes were proposed. First, for a one-qutrit rotation gate, a QHE scheme was constructed. Second, in view of the synthesis of a general 3 × 3 unitary transformation, another one-qutrit QHE scheme was proposed. Third, according to the one-qutrit scheme, the two-qutrit QHE scheme about generalized controlled X (GCX(m,n)) gate was constructed and further generalized to the n-qutrit unitary matrix case. Finally, the security of these schemes was analyzed in two respects. It can be concluded that the attacker can correctly guess the encryption key with a maximum probability pk = 1/33n, thus it can better protect the privacy of users’ data. Moreover, these schemes can be well integrated into the future quantum remote server architecture, and thus the computational security of the users’ private quantum information can be well protected in a distributed computing environment.

  1. Nanoscratching of nylon 66-based ternary nanocomposites

    International Nuclear Information System (INIS)

    Dasari, Aravind; Yu Zhongzhen; Mai Yiuwing

    2007-01-01

    The nanoscratch behavior of nylon 66/SEBS-g-MA/clay ternary nanocomposites produced by different blending protocols with contrasting microstructures is studied by using atomic force and transmission electron microscopy. A standard diamond Berkovich indenter is used for scratching and a low load of 1 mN, along with a low sliding velocity of 1 μm s -1 , are employed for this purpose. It is shown that in order to resist penetration it is more important to have exfoliated clay in the continuous nylon matrix during nanoscratching than to have the clay in the dispersed soft rubber domains. The results obtained also explain the preferred usage of ternary nanocomposites compared to binary nanocomposites, particularly nylon 66/exfoliated clay nanocomposites. This research extends current basic knowledge and provides new insights on the nature of nanoscale processes that occur during nanoscratching of polymer nanocomposites. Critical questions are raised on the relationships between the penetration depth and material deformation and damage left behind the moving indenter

  2. Irregular Homogeneity Domains in Ternary Intermetallic Systems

    Directory of Open Access Journals (Sweden)

    Jean-Marc Joubert

    2015-12-01

    Full Text Available Ternary intermetallic A–B–C systems sometimes have unexpected behaviors. The present paper examines situations in which there is a tendency to simultaneously form the compounds ABx, ACx and BCx with the same crystal structure. This causes irregular shapes of the phase homogeneity domains and, from a structural point of view, a complete reversal of site occupancies for the B atom when crossing the homogeneity domain. This work reviews previous studies done in the systems Fe–Nb–Zr, Hf–Mo–Re, Hf–Re–W, Mo–Re–Zr, Re–W–Zr, Cr–Mn–Si, Cr–Mo–Re, and Mo–Ni–Re, and involving the topologically close-packed Laves, χ and σ phases. These systems have been studied using ternary isothermal section determination, DFT calculations, site occupancy measurement using joint X-ray, and neutron diffraction Rietveld refinement. Conclusions are drawn concerning this phenomenon. The paper also reports new experimental or calculated data on Co–Cr–Re and Fe–Nb–Zr systems.

  3. Plasmonic spectral tunability of conductive ternary nitrides

    Energy Technology Data Exchange (ETDEWEB)

    Kassavetis, S.; Patsalas, P., E-mail: ppats@physics.auth.gr [Department of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki (Greece); Bellas, D. V.; Lidorikis, E. [Department of Materials Science and Engineering, University of Ioannina, GR-45110 Ioannina (Greece); Abadias, G. [Institut Pprime, Département Physique et Mécanique des Matériaux, Université de Poitiers-CNRS-ENSMA, 86962 Chasseneuil-Futuroscope (France)

    2016-06-27

    Conductive binary transition metal nitrides, such as TiN and ZrN, have emerged as a category of promising alternative plasmonic materials. In this work, we show that ternary transition metal nitrides such as Ti{sub x}Ta{sub 1−x}N, Ti{sub x}Zr{sub 1−x}N, Ti{sub x}Al{sub 1−x}N, and Zr{sub x}Ta{sub 1−x}N share the important plasmonic features with their binary counterparts, while having the additional asset of the exceptional spectral tunability in the entire visible (400–700 nm) and UVA (315–400 nm) spectral ranges depending on their net valence electrons. In particular, we demonstrate that such ternary nitrides can exhibit maximum field enhancement factors comparable with gold in the aforementioned broadband range. We also critically evaluate the structural features that affect the quality factor of the plasmon resonance and we provide rules of thumb for the selection and growth of materials for nitride plasmonics.

  4. Serpentinization reaction pathways: implications for modeling approach

    Energy Technology Data Exchange (ETDEWEB)

    Janecky, D.R.

    1986-01-01

    Experimental seawater-peridotite reaction pathways to form serpentinites at 300/sup 0/C, 500 bars, can be accurately modeled using the EQ3/6 codes in conjunction with thermodynamic and kinetic data from the literature and unpublished compilations. These models provide both confirmation of experimental interpretations and more detailed insight into hydrothermal reaction processes within the oceanic crust. The accuracy of these models depends on careful evaluation of the aqueous speciation model, use of mineral compositions that closely reproduce compositions in the experiments, and definition of realistic reactive components in terms of composition, thermodynamic data, and reaction rates.

  5. Consumer preference models: fuzzy theory approach

    Science.gov (United States)

    Turksen, I. B.; Wilson, I. A.

    1993-12-01

    Consumer preference models are widely used in new product design, marketing management, pricing and market segmentation. The purpose of this article is to develop and test a fuzzy set preference model which can represent linguistic variables in individual-level models implemented in parallel with existing conjoint models. The potential improvements in market share prediction and predictive validity can substantially improve management decisions about what to make (product design), for whom to make it (market segmentation) and how much to make (market share prediction).

  6. A visual approach for modeling spatiotemporal relations

    NARCIS (Netherlands)

    R.L. Guimarães (Rodrigo); C.S.S. Neto; L.F.G. Soares

    2008-01-01

    htmlabstractTextual programming languages have proven to be difficult to learn and to use effectively for many people. For this sake, visual tools can be useful to abstract the complexity of such textual languages, minimizing the specification efforts. In this paper we present a visual approach for

  7. PRODUCT TRIAL PROCESSING (PTP): A MODEL APPROACH ...

    African Journals Online (AJOL)

    Admin

    This study is a theoretical approach to consumer's processing of product trail, and equally explored ... consumer's first usage experience with a company's brand or product that is most important in determining ... product, what it is really marketing is the expected ..... confidence, thus there is a positive relationship between ...

  8. Nonlinear Modeling of the PEMFC Based On NNARX Approach

    OpenAIRE

    Shan-Jen Cheng; Te-Jen Chang; Kuang-Hsiung Tan; Shou-Ling Kuo

    2015-01-01

    Polymer Electrolyte Membrane Fuel Cell (PEMFC) is such a time-vary nonlinear dynamic system. The traditional linear modeling approach is hard to estimate structure correctly of PEMFC system. From this reason, this paper presents a nonlinear modeling of the PEMFC using Neural Network Auto-regressive model with eXogenous inputs (NNARX) approach. The multilayer perception (MLP) network is applied to evaluate the structure of the NNARX model of PEMFC. The validity and accurac...

  9. Development of a Conservative Model Validation Approach for Reliable Analysis

    Science.gov (United States)

    2015-01-01

    CIE 2015 August 2-5, 2015, Boston, Massachusetts, USA [DRAFT] DETC2015-46982 DEVELOPMENT OF A CONSERVATIVE MODEL VALIDATION APPROACH FOR RELIABLE...obtain a conservative simulation model for reliable design even with limited experimental data. Very little research has taken into account the...3, the proposed conservative model validation is briefly compared to the conventional model validation approach. Section 4 describes how to account

  10. Comparison of two novel approaches to model fibre reinforced concrete

    NARCIS (Netherlands)

    Radtke, F.K.F.; Simone, A.; Sluys, L.J.

    2009-01-01

    We present two approaches to model fibre reinforced concrete. In both approaches, discrete fibre distributions and the behaviour of the fibre-matrix interface are explicitly considered. One approach employs the reaction forces from fibre to matrix while the other is based on the partition of unity

  11. Core@shell@shell structured carbon-based magnetic ternary nanohybrids: Synthesis and their enhanced microwave absorption properties

    Science.gov (United States)

    Yang, Erqi; Qi, Xiaosi; Xie, Ren; Bai, Zhongchen; Jiang, Yang; Qin, Shuijie; Zhong, Wei; Du, Youwei

    2018-05-01

    High encapsulation efficiency of core@shell@shell structured carbon-based magnetic ternary nanohybrids have been synthesized in high yield by chemical vapor deposition of acetylene directly over octahedral-shaped Fe2O3 nanoparticles. By controlling the pyrolysis temperature, Fe3O4@Fe3C@carbon nanotubes (CNTs) and Fe@Fe3C@CNTs ternary nanohybrids could be selectively produced. The optimal RL values for the as-prepared ternary nanohybrids could reach up to ca. -46.7, -52.7 and -29.5 dB, respectively. The excellent microwave absorption properties of the obtaiend ternary nanohybrids were proved to ascribe to the quarter-wavelength matching model. Moreover, the as-prepared Fe@Fe3C@CNTs ternary nanohybrids displayed remarkably enhanced EM wave absorption capabilities compared to Fe3O4@Fe3C@CNTs due to their excellent dielectric loss abilities, good complementarities between the dielectric loss and the magnetic loss, and high attenuation constant. Generally, this strategy can be extended to explore other categories of core@shell or core@shell@shell structured carbon-based nanohybrids, which is very beneficial to accelerate the advancements of high performance MAMs.

  12. Combining NMR and small angle X-ray and neutron scattering in the structural analysis of a ternary protein-RNA complex

    International Nuclear Information System (INIS)

    Hennig, Janosch; Wang, Iren; Sonntag, Miriam; Gabel, Frank; Sattler, Michael

    2013-01-01

    Many processes in the regulation of gene expression and signaling involve the formation of protein complexes involving multi-domain proteins. Individual domains that mediate protein-protein and protein-nucleic acid interactions are typically connected by flexible linkers, which contribute to conformational dynamics and enable the formation of complexes with distinct binding partners. Solution techniques are therefore required for structural analysis and to characterize potential conformational dynamics. Nuclear magnetic resonance spectroscopy (NMR) provides such information but often only sparse data are obtained with increasing molecular weight of the complexes. It is therefore beneficial to combine NMR data with additional structural restraints from complementary solution techniques. Small angle X-ray/neutron scattering (SAXS/SANS) data can be efficiently combined with NMR-derived information, either for validation or by providing additional restraints for structural analysis. Here, we show that the combination of SAXS and SANS data can help to refine structural models obtained from data-driven docking using HADDOCK based on sparse NMR data. The approach is demonstrated with the ternary protein-protein-RNA complex involving two RNA recognition motif (RRM) domains of Sex-lethal, the N-terminal cold shock domain of Upstream-to-N-Ras, and msl-2 mRNA. Based on chemical shift perturbations we have mapped protein-protein and protein-RNA interfaces and complemented this NMR-derived information with SAXS data, as well as SANS measurements on subunit-selectively deuterated samples of the ternary complex. Our results show that, while the use of SAXS data is beneficial, the additional combination with contrast variation in SANS data resolves remaining ambiguities and improves the docking based on chemical shift perturbations of the ternary protein-RNA complex.

  13. Combining NMR and small angle X-ray and neutron scattering in the structural analysis of a ternary protein-RNA complex

    Energy Technology Data Exchange (ETDEWEB)

    Hennig, Janosch; Wang, Iren; Sonntag, Miriam [Institute of Structural Biology, Helmholtz Zentrum Muenchen (Germany); Gabel, Frank [Extremophiles and Large Molecular Assemblies Group (ELMA), Institut de Biologie Structurale (IBS) CEA-CNRS-UJF (France); Sattler, Michael, E-mail: sattler@helmholtz-muenchen.de [Institute of Structural Biology, Helmholtz Zentrum Muenchen (Germany)

    2013-05-15

    Many processes in the regulation of gene expression and signaling involve the formation of protein complexes involving multi-domain proteins. Individual domains that mediate protein-protein and protein-nucleic acid interactions are typically connected by flexible linkers, which contribute to conformational dynamics and enable the formation of complexes with distinct binding partners. Solution techniques are therefore required for structural analysis and to characterize potential conformational dynamics. Nuclear magnetic resonance spectroscopy (NMR) provides such information but often only sparse data are obtained with increasing molecular weight of the complexes. It is therefore beneficial to combine NMR data with additional structural restraints from complementary solution techniques. Small angle X-ray/neutron scattering (SAXS/SANS) data can be efficiently combined with NMR-derived information, either for validation or by providing additional restraints for structural analysis. Here, we show that the combination of SAXS and SANS data can help to refine structural models obtained from data-driven docking using HADDOCK based on sparse NMR data. The approach is demonstrated with the ternary protein-protein-RNA complex involving two RNA recognition motif (RRM) domains of Sex-lethal, the N-terminal cold shock domain of Upstream-to-N-Ras, and msl-2 mRNA. Based on chemical shift perturbations we have mapped protein-protein and protein-RNA interfaces and complemented this NMR-derived information with SAXS data, as well as SANS measurements on subunit-selectively deuterated samples of the ternary complex. Our results show that, while the use of SAXS data is beneficial, the additional combination with contrast variation in SANS data resolves remaining ambiguities and improves the docking based on chemical shift perturbations of the ternary protein-RNA complex.

  14. Modeling thrombin generation: plasma composition based approach.

    Science.gov (United States)

    Brummel-Ziedins, Kathleen E; Everse, Stephen J; Mann, Kenneth G; Orfeo, Thomas

    2014-01-01

    Thrombin has multiple functions in blood coagulation and its regulation is central to maintaining the balance between hemorrhage and thrombosis. Empirical and computational methods that capture thrombin generation can provide advancements to current clinical screening of the hemostatic balance at the level of the individual. In any individual, procoagulant and anticoagulant factor levels together act to generate a unique coagulation phenotype (net balance) that is reflective of the sum of its developmental, environmental, genetic, nutritional and pharmacological influences. Defining such thrombin phenotypes may provide a means to track disease progression pre-crisis. In this review we briefly describe thrombin function, methods for assessing thrombin dynamics as a phenotypic marker, computationally derived thrombin phenotypes versus determined clinical phenotypes, the boundaries of normal range thrombin generation using plasma composition based approaches and the feasibility of these approaches for predicting risk.

  15. A simple approach to modeling ductile failure.

    Energy Technology Data Exchange (ETDEWEB)

    Wellman, Gerald William

    2012-06-01

    Sandia National Laboratories has the need to predict the behavior of structures after the occurrence of an initial failure. In some cases determining the extent of failure, beyond initiation, is required, while in a few cases the initial failure is a design feature used to tailor the subsequent load paths. In either case, the ability to numerically simulate the initiation and propagation of failures is a highly desired capability. This document describes one approach to the simulation of failure initiation and propagation.

  16. A new approach for modeling composite materials

    Science.gov (United States)

    Alcaraz de la Osa, R.; Moreno, F.; Saiz, J. M.

    2013-03-01

    The increasing use of composite materials is due to their ability to tailor materials for special purposes, with applications evolving day by day. This is why predicting the properties of these systems from their constituents, or phases, has become so important. However, assigning macroscopical optical properties for these materials from the bulk properties of their constituents is not a straightforward task. In this research, we present a spectral analysis of three-dimensional random composite typical nanostructures using an Extension of the Discrete Dipole Approximation (E-DDA code), comparing different approaches and emphasizing the influences of optical properties of constituents and their concentration. In particular, we hypothesize a new approach that preserves the individual nature of the constituents introducing at the same time a variation in the optical properties of each discrete element that is driven by the surrounding medium. The results obtained with this new approach compare more favorably with the experiment than previous ones. We have also applied it to a non-conventional material composed of a metamaterial embedded in a dielectric matrix. Our version of the Discrete Dipole Approximation code, the EDDA code, has been formulated specifically to tackle this kind of problem, including materials with either magnetic and tensor properties.

  17. An Integrated Approach to Modeling Evacuation Behavior

    Science.gov (United States)

    2011-02-01

    A spate of recent hurricanes and other natural disasters have drawn a lot of attention to the evacuation decision of individuals. Here we focus on evacuation models that incorporate two economic phenomena that seem to be increasingly important in exp...

  18. Infectious disease modeling a hybrid system approach

    CERN Document Server

    Liu, Xinzhi

    2017-01-01

    This volume presents infectious diseases modeled mathematically, taking seasonality and changes in population behavior into account, using a switched and hybrid systems framework. The scope of coverage includes background on mathematical epidemiology, including classical formulations and results; a motivation for seasonal effects and changes in population behavior, an investigation into term-time forced epidemic models with switching parameters, and a detailed account of several different control strategies. The main goal is to study these models theoretically and to establish conditions under which eradication or persistence of the disease is guaranteed. In doing so, the long-term behavior of the models is determined through mathematical techniques from switched systems theory. Numerical simulations are also given to augment and illustrate the theoretical results and to help study the efficacy of the control schemes.

  19. On Combining Language Models: Oracle Approach

    National Research Council Canada - National Science Library

    Hacioglu, Kadri; Ward, Wayne

    2001-01-01

    In this paper, we address the of combining several language models (LMs). We find that simple interpolation methods, like log-linear and linear interpolation, improve the performance but fall short of the performance of an oracle...

  20. Advanced language modeling approaches, case study: Expert search

    NARCIS (Netherlands)

    Hiemstra, Djoerd

    2008-01-01

    This tutorial gives a clear and detailed overview of advanced language modeling approaches and tools, including the use of document priors, translation models, relevance models, parsimonious models and expectation maximization training. Expert search will be used as a case study to explain the

  1. Approaches to modelling hydrology and ecosystem interactions

    Science.gov (United States)

    Silberstein, Richard P.

    2014-05-01

    As the pressures of industry, agriculture and mining on groundwater resources increase there is a burgeoning un-met need to be able to capture these multiple, direct and indirect stresses in a formal framework that will enable better assessment of impact scenarios. While there are many catchment hydrological models and there are some models that represent ecological states and change (e.g. FLAMES, Liedloff and Cook, 2007), these have not been linked in any deterministic or substantive way. Without such coupled eco-hydrological models quantitative assessments of impacts from water use intensification on water dependent ecosystems under changing climate are difficult, if not impossible. The concept would include facility for direct and indirect water related stresses that may develop around mining and well operations, climate stresses, such as rainfall and temperature, biological stresses, such as diseases and invasive species, and competition such as encroachment from other competing land uses. Indirect water impacts could be, for example, a change in groundwater conditions has an impact on stream flow regime, and hence aquatic ecosystems. This paper reviews previous work examining models combining ecology and hydrology with a view to developing a conceptual framework linking a biophysically defensable model that combines ecosystem function with hydrology. The objective is to develop a model capable of representing the cumulative impact of multiple stresses on water resources and associated ecosystem function.

  2. Constructing a justice model based on Sen's capability approach

    OpenAIRE

    Yüksel, Sevgi; Yuksel, Sevgi

    2008-01-01

    The thesis provides a possible justice model based on Sen's capability approach. For this goal, we first analyze the general structure of a theory of justice, identifying the main variables and issues. Furthermore, based on Sen (2006) and Kolm (1998), we look at 'transcendental' and 'comparative' approaches to justice and concentrate on the sufficiency condition for the comparative approach. Then, taking Rawls' theory of justice as a starting point, we present how Sen's capability approach em...

  3. Challenges and opportunities for integrating lake ecosystem modelling approaches

    Science.gov (United States)

    Mooij, Wolf M.; Trolle, Dennis; Jeppesen, Erik; Arhonditsis, George; Belolipetsky, Pavel V.; Chitamwebwa, Deonatus B.R.; Degermendzhy, Andrey G.; DeAngelis, Donald L.; Domis, Lisette N. De Senerpont; Downing, Andrea S.; Elliott, J. Alex; Ruberto, Carlos Ruberto; Gaedke, Ursula; Genova, Svetlana N.; Gulati, Ramesh D.; Hakanson, Lars; Hamilton, David P.; Hipsey, Matthew R.; Hoen, Jochem 't; Hulsmann, Stephan; Los, F. Hans; Makler-Pick, Vardit; Petzoldt, Thomas; Prokopkin, Igor G.; Rinke, Karsten; Schep, Sebastiaan A.; Tominaga, Koji; Van Dam, Anne A.; Van Nes, Egbert H.; Wells, Scott A.; Janse, Jan H.

    2010-01-01

    A large number and wide variety of lake ecosystem models have been developed and published during the past four decades. We identify two challenges for making further progress in this field. One such challenge is to avoid developing more models largely following the concept of others ('reinventing the wheel'). The other challenge is to avoid focusing on only one type of model, while ignoring new and diverse approaches that have become available ('having tunnel vision'). In this paper, we aim at improving the awareness of existing models and knowledge of concurrent approaches in lake ecosystem modelling, without covering all possible model tools and avenues. First, we present a broad variety of modelling approaches. To illustrate these approaches, we give brief descriptions of rather arbitrarily selected sets of specific models. We deal with static models (steady state and regression models), complex dynamic models (CAEDYM, CE-QUAL-W2, Delft 3D-ECO, LakeMab, LakeWeb, MyLake, PCLake, PROTECH, SALMO), structurally dynamic models and minimal dynamic models. We also discuss a group of approaches that could all be classified as individual based: super-individual models (Piscator, Charisma), physiologically structured models, stage-structured models and trait-based models. We briefly mention genetic algorithms, neural networks, Kalman filters and fuzzy logic. Thereafter, we zoom in, as an in-depth example, on the multi-decadal development and application of the lake ecosystem model PCLake and related models (PCLake Metamodel, Lake Shira Model, IPH-TRIM3D-PCLake). In the discussion, we argue that while the historical development of each approach and model is understandable given its 'leading principle', there are many opportunities for combining approaches. We take the point of view that a single 'right' approach does not exist and should not be strived for. Instead, multiple modelling approaches, applied concurrently to a given problem, can help develop an integrative

  4. An ontology-based approach for modelling architectural styles

    OpenAIRE

    Pahl, Claus; Giesecke, Simon; Hasselbring, Wilhelm

    2007-01-01

    peer-reviewed The conceptual modelling of software architectures is of central importance for the quality of a software system. A rich modelling language is required to integrate the different aspects of architecture modelling, such as architectural styles, structural and behavioural modelling, into a coherent framework.We propose an ontological approach for architectural style modelling based on description logic as an abstract, meta-level modelling instrument. Architect...

  5. Mathematical modelling a case studies approach

    CERN Document Server

    Illner, Reinhard; McCollum, Samantha; Roode, Thea van

    2004-01-01

    Mathematical modelling is a subject without boundaries. It is the means by which mathematics becomes useful to virtually any subject. Moreover, modelling has been and continues to be a driving force for the development of mathematics itself. This book explains the process of modelling real situations to obtain mathematical problems that can be analyzed, thus solving the original problem. The presentation is in the form of case studies, which are developed much as they would be in true applications. In many cases, an initial model is created, then modified along the way. Some cases are familiar, such as the evaluation of an annuity. Others are unique, such as the fascinating situation in which an engineer, armed only with a slide rule, had 24 hours to compute whether a valve would hold when a temporary rock plug was removed from a water tunnel. Each chapter ends with a set of exercises and some suggestions for class projects. Some projects are extensive, as with the explorations of the predator-prey model; oth...

  6. The simplified models approach to constraining supersymmetry

    Energy Technology Data Exchange (ETDEWEB)

    Perez, Genessis [Institut fuer Theoretische Physik, Karlsruher Institut fuer Technologie (KIT), Wolfgang-Gaede-Str. 1, 76131 Karlsruhe (Germany); Kulkarni, Suchita [Laboratoire de Physique Subatomique et de Cosmologie, Universite Grenoble Alpes, CNRS IN2P3, 53 Avenue des Martyrs, 38026 Grenoble (France)

    2015-07-01

    The interpretation of the experimental results at the LHC are model dependent, which implies that the searches provide limited constraints on scenarios such as supersymmetry (SUSY). The Simplified Models Spectra (SMS) framework used by ATLAS and CMS collaborations is useful to overcome this limitation. SMS framework involves a small number of parameters (all the properties are reduced to the mass spectrum, the production cross section and the branching ratio) and hence is more generic than presenting results in terms of soft parameters. In our work, the SMS framework was used to test Natural SUSY (NSUSY) scenario. To accomplish this task, two automated tools (SModelS and Fastlim) were used to decompose the NSUSY parameter space in terms of simplified models and confront the theoretical predictions against the experimental results. The achievement of both, just as the strengths and limitations, are here expressed for the NSUSY scenario.

  7. Lightweight approach to model traceability in a CASE tool

    Science.gov (United States)

    Vileiniskis, Tomas; Skersys, Tomas; Pavalkis, Saulius; Butleris, Rimantas; Butkiene, Rita

    2017-07-01

    A term "model-driven" is not at all a new buzzword within the ranks of system development community. Nevertheless, the ever increasing complexity of model-driven approaches keeps fueling all kinds of discussions around this paradigm and pushes researchers forward to research and develop new and more effective ways to system development. With the increasing complexity, model traceability, and model management as a whole, becomes indispensable activities of model-driven system development process. The main goal of this paper is to present a conceptual design and implementation of a practical lightweight approach to model traceability in a CASE tool.

  8. Modelling phase equilibria for acid gas mixtures using the CPA equation of state. Part VI. Multicomponent mixtures with glycols relevant to oil and gas and to liquid or supercritical CO2 transport applications

    DEFF Research Database (Denmark)

    Tsivintzelis, Ioannis; Kontogeorgis, Georgios M.

    2016-01-01

    to data on ternary and multicomponent mixtures) to model the phase behaviour of ternary and quaternary systems with CO2 and glycols. It is concluded that CPA performs satisfactorily for most multicomponent systems considered. Some differences between the various modelling approaches are observed....... This work is the last part of a series of studies, which aim to arrive in a single "engineering approach" for applying CPA to acid gas mixtures, without introducing significant changes to the model. An overall assessment, based also on the obtained results of this series (Tsivintzelis et al., 2010, 2011...

  9. New approaches for modeling type Ia supernovae

    International Nuclear Information System (INIS)

    Zingale, Michael; Almgren, Ann S.; Bell, John B.; Day, Marcus S.; Rendleman, Charles A.; Woosley, Stan

    2007-01-01

    Type Ia supernovae (SNe Ia) are the largest thermonuclear explosions in the Universe. Their light output can be seen across great distances and has led to the discovery that the expansion rate of the Universe is accelerating. Despite the significance of SNe Ia, there are still a large number of uncertainties in current theoretical models. Computational modeling offers the promise to help answer the outstanding questions. However, even with today's supercomputers, such calculations are extremely challenging because of the wide range of length and timescales. In this paper, we discuss several new algorithms for simulations of SNe Ia and demonstrate some of their successes

  10. Chancroid transmission dynamics: a mathematical modeling approach.

    Science.gov (United States)

    Bhunu, C P; Mushayabasa, S

    2011-12-01

    Mathematical models have long been used to better understand disease transmission dynamics and how to effectively control them. Here, a chancroid infection model is presented and analyzed. The disease-free equilibrium is shown to be globally asymptotically stable when the reproduction number is less than unity. High levels of treatment are shown to reduce the reproduction number suggesting that treatment has the potential to control chancroid infections in any given community. This result is also supported by numerical simulations which show a decline in chancroid cases whenever the reproduction number is less than unity.

  11. A kinetic approach to magnetospheric modeling

    International Nuclear Information System (INIS)

    Whipple, E.C. Jr.

    1979-01-01

    The earth's magnetosphere is caused by the interaction between the flowing solar wind and the earth's magnetic dipole, with the distorted magnetic field in the outer parts of the magnetosphere due to the current systems resulting from this interaction. It is surprising that even the conceptually simple problem of the collisionless interaction of a flowing plasma with a dipole magnetic field has not been solved. A kinetic approach is essential if one is to take into account the dispersion of particles with different energies and pitch angles and the fact that particles on different trajectories have different histories and may come from different sources. Solving the interaction problem involves finding the various types of possible trajectories, populating them with particles appropriately, and then treating the electric and magnetic fields self-consistently with the resulting particle densities and currents. This approach is illustrated by formulating a procedure for solving the collisionless interaction problem on open field lines in the case of a slowly flowing magnetized plasma interacting with a magnetic dipole

  12. A kinetic approach to magnetospheric modeling

    Science.gov (United States)

    Whipple, E. C., Jr.

    1979-01-01

    The earth's magnetosphere is caused by the interaction between the flowing solar wind and the earth's magnetic dipole, with the distorted magnetic field in the outer parts of the magnetosphere due to the current systems resulting from this interaction. It is surprising that even the conceptually simple problem of the collisionless interaction of a flowing plasma with a dipole magnetic field has not been solved. A kinetic approach is essential if one is to take into account the dispersion of particles with different energies and pitch angles and the fact that particles on different trajectories have different histories and may come from different sources. Solving the interaction problem involves finding the various types of possible trajectories, populating them with particles appropriately, and then treating the electric and magnetic fields self-consistently with the resulting particle densities and currents. This approach is illustrated by formulating a procedure for solving the collisionless interaction problem on open field lines in the case of a slowly flowing magnetized plasma interacting with a magnetic dipole.

  13. Fractal approach to computer-analytical modelling of tree crown

    International Nuclear Information System (INIS)

    Berezovskaya, F.S.; Karev, G.P.; Kisliuk, O.F.; Khlebopros, R.G.; Tcelniker, Yu.L.

    1993-09-01

    In this paper we discuss three approaches to the modeling of a tree crown development. These approaches are experimental (i.e. regressive), theoretical (i.e. analytical) and simulation (i.e. computer) modeling. The common assumption of these is that a tree can be regarded as one of the fractal objects which is the collection of semi-similar objects and combines the properties of two- and three-dimensional bodies. We show that a fractal measure of crown can be used as the link between the mathematical models of crown growth and light propagation through canopy. The computer approach gives the possibility to visualize a crown development and to calibrate the model on experimental data. In the paper different stages of the above-mentioned approaches are described. The experimental data for spruce, the description of computer system for modeling and the variant of computer model are presented. (author). 9 refs, 4 figs

  14. A novel approach to modeling atmospheric convection

    Science.gov (United States)

    Goodman, A.

    2016-12-01

    The inadequate representation of clouds continues to be a large source of uncertainty in the projections from global climate models (GCMs). With continuous advances in computational power, however, the ability for GCMs to explicitly resolve cumulus convection will soon be realized. For this purpose, Jung and Arakawa (2008) proposed the Vector Vorticity Model (VVM), in which vorticity is the predicted variable instead of momentum. This has the advantage of eliminating the pressure gradient force within the framework of an anelastic system. However, the VVM was designed for use on a planar quadrilateral grid, making it unsuitable for implementation in global models discretized on the sphere. Here we have proposed a modification to the VVM where instead the curl of the horizontal vorticity is the primary predicted variable. This allows us to maintain the benefits of the original VVM while working within the constraints of a non-quadrilateral mesh. We found that our proposed model produced results from a warm bubble simulation that were consistent with the VVM. Further improvements that can be made to the VVM are also discussed.

  15. INDIVIDUAL BASED MODELLING APPROACH TO THERMAL ...

    Science.gov (United States)

    Diadromous fish populations in the Pacific Northwest face challenges along their migratory routes from declining habitat quality, harvest, and barriers to longitudinal connectivity. Changes in river temperature regimes are producing an additional challenge for upstream migrating adult salmon and steelhead, species that are sensitive to absolute and cumulative thermal exposure. Adult salmon populations have been shown to utilize cold water patches along migration routes when mainstem river temperatures exceed thermal optimums. We are employing an individual based model (IBM) to explore the costs and benefits of spatially-distributed cold water refugia for adult migrating salmon. Our model, developed in the HexSim platform, is built around a mechanistic behavioral decision tree that drives individual interactions with their spatially explicit simulated environment. Population-scale responses to dynamic thermal regimes, coupled with other stressors such as disease and harvest, become emergent properties of the spatial IBM. Other model outputs include arrival times, species-specific survival rates, body energetic content, and reproductive fitness levels. Here, we discuss the challenges associated with parameterizing an individual based model of salmon and steelhead in a section of the Columbia River. Many rivers and streams in the Pacific Northwest are currently listed as impaired under the Clean Water Act as a result of high summer water temperatures. Adverse effec

  16. A new approach to model mixed hydrates

    Czech Academy of Sciences Publication Activity Database

    Hielscher, S.; Vinš, Václav; Jäger, A.; Hrubý, Jan; Breitkopf, C.; Span, R.

    2018-01-01

    Roč. 459, March (2018), s. 170-185 ISSN 0378-3812 R&D Projects: GA ČR(CZ) GA17-08218S Institutional support: RVO:61388998 Keywords : gas hydrate * mixture * modeling Subject RIV: BJ - Thermodynamics Impact factor: 2.473, year: 2016 https://www.sciencedirect.com/science/article/pii/S0378381217304983

  17. Energy and development : A modelling approach

    NARCIS (Netherlands)

    van Ruijven, B.J.|info:eu-repo/dai/nl/304834521

    2008-01-01

    Rapid economic growth of developing countries like India and China implies that these countries become important actors in the global energy system. Examples of this impact are the present day oil shortages and rapidly increasing emissions of greenhouse gases. Global energy models are used explore

  18. Modeling Approaches for Describing Microbial Population Heterogeneity

    DEFF Research Database (Denmark)

    Lencastre Fernandes, Rita

    environmental conditions. Three cases are presented and discussed in this thesis. Common to all is the use of S. cerevisiae as model organism, and the use of cell size and cell cycle position as single-cell descriptors. The first case focuses on the experimental and mathematical description of a yeast...

  19. Energy and Development. A Modelling Approach

    International Nuclear Information System (INIS)

    Van Ruijven, B.J.

    2008-01-01

    Rapid economic growth of developing countries like India and China implies that these countries become important actors in the global energy system. Examples of this impact are the present day oil shortages and rapidly increasing emissions of greenhouse gases. Global energy models are used to explore possible future developments of the global energy system and identify policies to prevent potential problems. Such estimations of future energy use in developing countries are very uncertain. Crucial factors in the future energy use of these regions are electrification, urbanisation and income distribution, issues that are generally not included in present day global energy models. Model simulations in this thesis show that current insight in developments in low-income regions lead to a wide range of expected energy use in 2030 of the residential and transport sectors. This is mainly caused by many different model calibration options that result from the limited data availability for model development and calibration. We developed a method to identify the impact of model calibration uncertainty on future projections. We developed a new model for residential energy use in India, in collaboration with the Indian Institute of Science. Experiments with this model show that the impact of electrification and income distribution is less univocal than often assumed. The use of fuelwood, with related health risks, can decrease rapidly if the income of poor groups increases. However, there is a trade off in terms of CO2 emissions because these groups gain access to electricity and the ownership of appliances increases. Another issue is the potential role of new technologies in developing countries: will they use the opportunities of leapfrogging? We explored the potential role of hydrogen, an energy carrier that might play a central role in a sustainable energy system. We found that hydrogen only plays a role before 2050 under very optimistic assumptions. Regional energy

  20. Excess enthalpies of the ternary mixtures: {tetrahydrofuran + 3-methylpentane + (octane or decane)} at the temperature 298.15 K

    International Nuclear Information System (INIS)

    Wang Zhaohui; Benson, George C.; Lu, Benjamin C.-Y.

    2003-01-01

    Measurements of excess molar enthalpies at the temperature 298.15 K in a flow microcalorimeter, are reported for the two ternary mixtures {X 1 C 4 H 8 O + X 2 CH 3 CH 2 CH(CH 3 )CH 2 CH 3 + (1-X 1 -X 2 )CH 3 (CH 2 ) v-2 CH 3 } with v=8 and 10. Smooth representations of the results are described and used to construct constant-enthalpy contours on Roozeboom diagrams. It is shown that useful estimates of the ternary enthalpies can be obtained from the Liebermann-Fried model, using only the physical properties of the components and their binary mixtures

  1. Phase diagrams of the ternary alloy with a single-ion anisotropy in the mean-field approximation

    International Nuclear Information System (INIS)

    Dely, J.; Bobak, A.

    2006-01-01

    The phase diagram of the AB p C 1-p ternary alloy consisting of Ising spins S A =32, S B =2, and S C =52 is investigated by the use of a mean-field theory based on the Bogoliubov inequality for the Gibbs free energy. The effect of the single-ion anisotropy on the phase diagrams is discussed by changing values of the parameters in the model Hamiltonian and comparison is made with the recently reported finite-temperature phase diagrams for the ternary alloy having spin S B =1

  2. CHARACTERIZATION OF TERNARY SYSTEM OF POORLY SOLUBLE DRUG IN VARIOUS HYDROPHILIC CARRIERS

    OpenAIRE

    Vijay Kumar; Shankaraiah MM; Venkatesh JS; Rangaraju D; C.Nagesh

    2011-01-01

    The present study aims to experiment the solid dispersion of poorly water soluble drug fenbendazole as model drug. Fenbendazole is an Antihelmintic drug (BCS class 2).The purpose of this study was to enhance the dissolution of Fenbendazole by solid dispersions consisting of the drug, a polymeric carrier, Binary and ternary system were prepared by kneading method using hydrophilic polymers like polyvinylpyrrolidone K-25 (PVP K25), beta-cyclodextrin (BCD),mannitol and urea. The prepared form...

  3. Integration models: multicultural and liberal approaches confronted

    Science.gov (United States)

    Janicki, Wojciech

    2012-01-01

    European societies have been shaped by their Christian past, upsurge of international migration, democratic rule and liberal tradition rooted in religious tolerance. Boosting globalization processes impose new challenges on European societies, striving to protect their diversity. This struggle is especially clearly visible in case of minorities trying to resist melting into mainstream culture. European countries' legal systems and cultural policies respond to these efforts in many ways. Respecting identity politics-driven group rights seems to be the most common approach, resulting in creation of a multicultural society. However, the outcome of respecting group rights may be remarkably contradictory to both individual rights growing out from liberal tradition, and to reinforced concept of integration of immigrants into host societies. The hereby paper discusses identity politics upturn in the context of both individual rights and integration of European societies.

  4. Modelling thermal plume impacts - Kalpakkam approach

    International Nuclear Information System (INIS)

    Rao, T.S.; Anup Kumar, B.; Narasimhan, S.V.

    2002-01-01

    A good understanding of temperature patterns in the receiving waters is essential to know the heat dissipation from thermal plumes originating from coastal power plants. The seasonal temperature profiles of the Kalpakkam coast near Madras Atomic Power Station (MAPS) thermal out fall site are determined and analysed. It is observed that the seasonal current reversal in the near shore zone is one of the major mechanisms for the transport of effluents away from the point of mixing. To further refine our understanding of the mixing and dilution processes, it is necessary to numerically simulate the coastal ocean processes by parameterising the key factors concerned. In this paper, we outline the experimental approach to achieve this objective. (author)

  5. Dynamic Metabolic Model Building Based on the Ensemble Modeling Approach

    Energy Technology Data Exchange (ETDEWEB)

    Liao, James C. [Univ. of California, Los Angeles, CA (United States)

    2016-10-01

    Ensemble modeling of kinetic systems addresses the challenges of kinetic model construction, with respect to parameter value selection, and still allows for the rich insights possible from kinetic models. This project aimed to show that constructing, implementing, and analyzing such models is a useful tool for the metabolic engineering toolkit, and that they can result in actionable insights from models. Key concepts are developed and deliverable publications and results are presented.

  6. Nuclear security assessment with Markov model approach

    International Nuclear Information System (INIS)

    Suzuki, Mitsutoshi; Terao, Norichika

    2013-01-01

    Nuclear security risk assessment with the Markov model based on random event is performed to explore evaluation methodology for physical protection in nuclear facilities. Because the security incidences are initiated by malicious and intentional acts, expert judgment and Bayes updating are used to estimate scenario and initiation likelihood, and it is assumed that the Markov model derived from stochastic process can be applied to incidence sequence. Both an unauthorized intrusion as Design Based Threat (DBT) and a stand-off attack as beyond-DBT are assumed to hypothetical facilities, and performance of physical protection and mitigation and minimization of consequence are investigated to develop the assessment methodology in a semi-quantitative manner. It is shown that cooperation between facility operator and security authority is important to respond to the beyond-DBT incidence. (author)

  7. Ternary particle yields in 249Cf(nth,f)

    Science.gov (United States)

    Tsekhanovich, I.; Büyükmumcu, Z.; Davi, M.; Denschlag, H. O.; Gönnenwein, F.; Boulyga, S. F.

    2003-03-01

    An experiment measuring ternary particle yields in 249Cf(nth,f) was carried out at the high flux reactor of the Institut Laue-Langevin using the Lohengrin recoil mass separator. Parameters of energy distributions were determined for 27 ternary particles up to 30Mg and their yields were calculated. The yields of 17 further ternary particles were estimated on the basis of the systematics developed. The heaviest particles observed in the experiment are 37Si and 37S; their possible origin is discussed.

  8. Ternary particle yields in 249Cf(nth,f)

    International Nuclear Information System (INIS)

    Tsekhanovich, I.; Bueyuekmumcu, Z.; Davi, M.; Denschlag, H.O.; Goennenwein, F.; Boulyga, S.F.

    2003-01-01

    An experiment measuring ternary particle yields in 249 Cf(n th ,f) was carried out at the high flux reactor of the Institut Laue-Langevin using the Lohengrin recoil mass separator. Parameters of energy distributions were determined for 27 ternary particles up to 30 Mg and their yields were calculated. The yields of 17 further ternary particles were estimated on the basis of the systematics developed. The heaviest particles observed in the experiment are 37 Si and 37 S; their possible origin is discussed

  9. An Approach for Modeling Supplier Resilience

    Science.gov (United States)

    2016-04-30

    interests include resilience modeling of supply chains, reliability engineering, and meta- heuristic optimization. [m.hosseini@ou.edu] Abstract...be availability , or the extent to which the products produced by the supply chain are available for use (measured as a ratio of uptime to total time...of the use of the product). Available systems are important in many industries, particularly in the Department of Defense, where weapons systems

  10. Tumour resistance to cisplatin: a modelling approach

    International Nuclear Information System (INIS)

    Marcu, L; Bezak, E; Olver, I; Doorn, T van

    2005-01-01

    Although chemotherapy has revolutionized the treatment of haematological tumours, in many common solid tumours the success has been limited. Some of the reasons for the limitations are: the timing of drug delivery, resistance to the drug, repopulation between cycles of chemotherapy and the lack of complete understanding of the pharmacokinetics and pharmacodynamics of a specific agent. Cisplatin is among the most effective cytotoxic agents used in head and neck cancer treatments. When modelling cisplatin as a single agent, the properties of cisplatin only have to be taken into account, reducing the number of assumptions that are considered in the generalized chemotherapy models. The aim of the present paper is to model the biological effect of cisplatin and to simulate the consequence of cisplatin resistance on tumour control. The 'treated' tumour is a squamous cell carcinoma of the head and neck, previously grown by computer-based Monte Carlo techniques. The model maintained the biological constitution of a tumour through the generation of stem cells, proliferating cells and non-proliferating cells. Cell kinetic parameters (mean cell cycle time, cell loss factor, thymidine labelling index) were also consistent with the literature. A sensitivity study on the contribution of various mechanisms leading to drug resistance is undertaken. To quantify the extent of drug resistance, the cisplatin resistance factor (CRF) is defined as the ratio between the number of surviving cells of the resistant population and the number of surviving cells of the sensitive population, determined after the same treatment time. It is shown that there is a supra-linear dependence of CRF on the percentage of cisplatin-DNA adducts formed, and a sigmoid-like dependence between CRF and the percentage of cells killed in resistant tumours. Drug resistance is shown to be a cumulative process which eventually can overcome tumour regression leading to treatment failure

  11. Tumour resistance to cisplatin: a modelling approach

    Energy Technology Data Exchange (ETDEWEB)

    Marcu, L [School of Chemistry and Physics, University of Adelaide, North Terrace, SA 5000 (Australia); Bezak, E [School of Chemistry and Physics, University of Adelaide, North Terrace, SA 5000 (Australia); Olver, I [Faculty of Medicine, University of Adelaide, North Terrace, SA 5000 (Australia); Doorn, T van [School of Chemistry and Physics, University of Adelaide, North Terrace, SA 5000 (Australia)

    2005-01-07

    Although chemotherapy has revolutionized the treatment of haematological tumours, in many common solid tumours the success has been limited. Some of the reasons for the limitations are: the timing of drug delivery, resistance to the drug, repopulation between cycles of chemotherapy and the lack of complete understanding of the pharmacokinetics and pharmacodynamics of a specific agent. Cisplatin is among the most effective cytotoxic agents used in head and neck cancer treatments. When modelling cisplatin as a single agent, the properties of cisplatin only have to be taken into account, reducing the number of assumptions that are considered in the generalized chemotherapy models. The aim of the present paper is to model the biological effect of cisplatin and to simulate the consequence of cisplatin resistance on tumour control. The 'treated' tumour is a squamous cell carcinoma of the head and neck, previously grown by computer-based Monte Carlo techniques. The model maintained the biological constitution of a tumour through the generation of stem cells, proliferating cells and non-proliferating cells. Cell kinetic parameters (mean cell cycle time, cell loss factor, thymidine labelling index) were also consistent with the literature. A sensitivity study on the contribution of various mechanisms leading to drug resistance is undertaken. To quantify the extent of drug resistance, the cisplatin resistance factor (CRF) is defined as the ratio between the number of surviving cells of the resistant population and the number of surviving cells of the sensitive population, determined after the same treatment time. It is shown that there is a supra-linear dependence of CRF on the percentage of cisplatin-DNA adducts formed, and a sigmoid-like dependence between CRF and the percentage of cells killed in resistant tumours. Drug resistance is shown to be a cumulative process which eventually can overcome tumour regression leading to treatment failure.

  12. Ternary complex of plasmid DNA with NLS-Mu-Mu protein and cationic niosome for biocompatible and efficient gene delivery: a comparative study with protamine and lipofectamine.

    Science.gov (United States)

    Nematollahi, Mohammad Hadi; Torkzadeh-Mahanai, Masoud; Pardakhty, Abbas; Ebrahimi Meimand, Hossein Ali; Asadikaram, Gholamreza

    2017-10-28

    Non-viral gene delivery methods are considered due to safety and simplicity in human gene therapy. Since the use of cationic peptide and niosome represent a promising approach for gene delivery purposes we used recombinant fusion protein and cationic niosome as a gene carrier. A multi-domain fusion protein including nuclear localization motif (NLS) and two DNA-binding (Mu) domains, namely NLS-Mu-Mu (NMM) has been designed, cloned and expressed in E. coli DE3 strain. Afterward, the interested protein was purified by affinity chromatography. Binary vectors based on protein/DNA and ternary vectors based on protein/DNA/niosome were prepared. Protamine was used as a control. DNA condensing properties of NMM and protamine were evaluated by various experiments. Furthermore, we examined cytotoxicity, hemolysis and transfection potential of the binary and ternary complexes in HEK293T and MCF-7 cell lines. Protamine and Lipofectamine™2000 were used as positive controls, correspondingly. The recombinant NMM was expressed and purified successfully and DNA was condensed efficiently at charge ratios that were not harmful to cells. Peptidoplexes showed transfection efficiency (TE) but ternary complexes had higher TE. Additionally, NMM ternary complex was more efficient compared to protamine ternary vectors. Our results showed that niosomal ternary vector of NMM is a promising non-viral gene carrier to achieve an effective and safe carrier system for gene therapy.

  13. ISM Approach to Model Offshore Outsourcing Risks

    Directory of Open Access Journals (Sweden)

    Sunand Kumar

    2014-07-01

    Full Text Available In an effort to achieve a competitive advantage via cost reductions and improved market responsiveness, organizations are increasingly employing offshore outsourcing as a major component of their supply chain strategies. But as evident from literature number of risks such as Political risk, Risk due to cultural differences, Compliance and regulatory risk, Opportunistic risk and Organization structural risk, which adversely affect the performance of offshore outsourcing in a supply chain network. This also leads to dissatisfaction among different stake holders. The main objective of this paper is to identify and understand the mutual interaction among various risks which affect the performance of offshore outsourcing.  To this effect, authors have identified various risks through extant review of literature.  From this information, an integrated model using interpretive structural modelling (ISM for risks affecting offshore outsourcing is developed and the structural relationships between these risks are modeled.  Further, MICMAC analysis is done to analyze the driving power and dependency of risks which shall be helpful to managers to identify and classify important criterions and to reveal the direct and indirect effects of each criterion on offshore outsourcing. Results show that political risk and risk due to cultural differences are act as strong drivers.

  14. Remote sensing approach to structural modelling

    International Nuclear Information System (INIS)

    El Ghawaby, M.A.

    1989-01-01

    Remote sensing techniques are quite dependable tools in investigating geologic problems, specially those related to structural aspects. The Landsat imagery provides discrimination between rock units, detection of large scale structures as folds and faults, as well as small scale fabric elements such as foliation and banding. In order to fulfill the aim of geologic application of remote sensing, some essential surveying maps might be done from images prior to the structural interpretation: land-use, land-form drainage pattern, lithological unit and structural lineament maps. Afterwards, the field verification should lead to interpretation of a comprehensive structural model of the study area to apply for the target problem. To deduce such a model, there are two ways of analysis the interpreter may go through: the direct and the indirect methods. The direct one is needed in cases where the resources or the targets are controlled by an obvious or exposed structural element or pattern. The indirect way is necessary for areas where the target is governed by a complicated structural pattern. Some case histories of structural modelling methods applied successfully for exploration of radioactive minerals, iron deposits and groundwater aquifers in Egypt are presented. The progress in imagery, enhancement and integration of remote sensing data with the other geophysical and geochemical data allow a geologic interpretation to be carried out which become better than that achieved with either of the individual data sets. 9 refs

  15. A moving approach for the Vector Hysteron Model

    Energy Technology Data Exchange (ETDEWEB)

    Cardelli, E. [Department of Engineering, University of Perugia, Via G. Duranti 93, 06125 Perugia (Italy); Faba, A., E-mail: antonio.faba@unipg.it [Department of Engineering, University of Perugia, Via G. Duranti 93, 06125 Perugia (Italy); Laudani, A. [Department of Engineering, Roma Tre University, Via V. Volterra 62, 00146 Rome (Italy); Quondam Antonio, S. [Department of Engineering, University of Perugia, Via G. Duranti 93, 06125 Perugia (Italy); Riganti Fulginei, F.; Salvini, A. [Department of Engineering, Roma Tre University, Via V. Volterra 62, 00146 Rome (Italy)

    2016-04-01

    A moving approach for the VHM (Vector Hysteron Model) is here described, to reconstruct both scalar and rotational magnetization of electrical steels with weak anisotropy, such as the non oriented grain Silicon steel. The hysterons distribution is postulated to be function of the magnetization state of the material, in order to overcome the practical limitation of the congruency property of the standard VHM approach. By using this formulation and a suitable accommodation procedure, the results obtained indicate that the model is accurate, in particular in reproducing the experimental behavior approaching to the saturation region, allowing a real improvement respect to the previous approach.

  16. Agribusiness model approach to territorial food development

    Directory of Open Access Journals (Sweden)

    Murcia Hector Horacio

    2011-04-01

    Full Text Available

    Several research efforts have coordinated the academic program of Agricultural Business Management from the University De La Salle (Bogota D.C., to the design and implementation of a sustainable agribusiness model applied to food development, with territorial projection. Rural development is considered as a process that aims to improve the current capacity and potential of the inhabitant of the sector, which refers not only to production levels and productivity of agricultural items. It takes into account the guidelines of the Organization of the United Nations “Millennium Development Goals” and considered the concept of sustainable food and agriculture development, including food security and nutrition in an integrated interdisciplinary context, with holistic and systemic dimension. Analysis is specified by a model with an emphasis on sustainable agribusiness production chains related to agricultural food items in a specific region. This model was correlated with farm (technical objectives, family (social purposes and community (collective orientations projects. Within this dimension are considered food development concepts and methodologies of Participatory Action Research (PAR. Finally, it addresses the need to link the results to low-income communities, within the concepts of the “new rurality”.

  17. Engineering approach to modeling of piled systems

    International Nuclear Information System (INIS)

    Coombs, R.F.; Silva, M.A.G. da

    1980-01-01

    Available methods of analysis of piled systems subjected to dynamic excitation invade areas of mathematics usually beyond the reach of a practising engineer. A simple technique that avoids that conflict is proposed, at least for preliminary studies, and its application, compared with other methods, is shown to be satisfactory. A corrective factor for parameters currently used to represent transmitting boundaries is derived for a finite strip that models an infinite layer. The influence of internal damping on the dynamic stiffness of the layer and on radiation damping is analysed. (Author) [pt

  18. Jackiw-Pi model: A superfield approach

    Science.gov (United States)

    Gupta, Saurabh

    2014-12-01

    We derive the off-shell nilpotent and absolutely anticommuting Becchi-Rouet-Stora-Tyutin (BRST) as well as anti-BRST transformations s ( a) b corresponding to the Yang-Mills gauge transformations of 3D Jackiw-Pi model by exploiting the "augmented" super-field formalism. We also show that the Curci-Ferrari restriction, which is a hallmark of any non-Abelian 1-form gauge theories, emerges naturally within this formalism and plays an instrumental role in providing the proof of absolute anticommutativity of s ( a) b .

  19. Applied Regression Modeling A Business Approach

    CERN Document Server

    Pardoe, Iain

    2012-01-01

    An applied and concise treatment of statistical regression techniques for business students and professionals who have little or no background in calculusRegression analysis is an invaluable statistical methodology in business settings and is vital to model the relationship between a response variable and one or more predictor variables, as well as the prediction of a response value given values of the predictors. In view of the inherent uncertainty of business processes, such as the volatility of consumer spending and the presence of market uncertainty, business professionals use regression a

  20. Superconductivity and specific heat measurements in V--Nb--Ta ternary alloys

    International Nuclear Information System (INIS)

    Wang, R.Y.P.

    1977-01-01

    The correlation between the superconducting transition temperature T/sub c/ with electronic specific heat coefficient γ and Debye temperature theta/sub D/ in some isoelectronic ternary V--Nb--Ta alloys is investigated. It has been known that the variation of theta/sub D/ with concentration in both V--Nb and V--Ta systems is clearly of the same curvature as that of T/sub c/ and γ. In Ta--Nb alloys, however, over most of the concentration range theta/sub D/ seems to have a slight negative curvature while T/sub c/ and γ curve upwards. (But beyond approx. 80 at. % Nb theta/sub D/ rises rapidly to the pure Nb value.) By choosing alloys along a line connecting Ta and V 25 --Nb 75 which is close to the Nb--Ta side of the Gibb's triangle the extent to which the Nb--Ta type of behavior persists in this ternary system can be estimated. A model proposed by Miedema that takes into account the variation of properties caused by possible charge transfer among constituent atoms in an alloy has been found to apply almost quantitatively for nearly all binary alloy systems whose experimental data are available, including those for which Hopfield's method fails. A previous test of the extension of Miedema's empirical model into ternary alloys shows qualitatively correct behavior for intra-row Zr/sub x/Nb/sub 1-2x/Mo/sub x/ alloys. The good agreement between the predicted values of γ and T/sub c/ and the experimental values in the inter-row ternary V--Nb--Ta system studied here gives another and better test of the application of Miedema's model

  1. Implicit moral evaluations: A multinomial modeling approach.

    Science.gov (United States)

    Cameron, C Daryl; Payne, B Keith; Sinnott-Armstrong, Walter; Scheffer, Julian A; Inzlicht, Michael

    2017-01-01

    Implicit moral evaluations-i.e., immediate, unintentional assessments of the wrongness of actions or persons-play a central role in supporting moral behavior in everyday life. Yet little research has employed methods that rigorously measure individual differences in implicit moral evaluations. In five experiments, we develop a new sequential priming measure-the Moral Categorization Task-and a multinomial model that decomposes judgment on this task into multiple component processes. These include implicit moral evaluations of moral transgression primes (Unintentional Judgment), accurate moral judgments about target actions (Intentional Judgment), and a directional tendency to judge actions as morally wrong (Response Bias). Speeded response deadlines reduced Intentional Judgment but not Unintentional Judgment (Experiment 1). Unintentional Judgment was stronger toward moral transgression primes than non-moral negative primes (Experiments 2-4). Intentional Judgment was associated with increased error-related negativity, a neurophysiological indicator of behavioral control (Experiment 4). Finally, people who voted for an anti-gay marriage amendment had stronger Unintentional Judgment toward gay marriage primes (Experiment 5). Across Experiments 1-4, implicit moral evaluations converged with moral personality: Unintentional Judgment about wrong primes, but not negative primes, was negatively associated with psychopathic tendencies and positively associated with moral identity and guilt proneness. Theoretical and practical applications of formal modeling for moral psychology are discussed. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Modeling Saturn's Inner Plasmasphere: Cassini's Closest Approach

    Science.gov (United States)

    Moore, L.; Mendillo, M.

    2005-05-01

    Ion densities from the three-dimensional Saturn-Thermosphere-Ionosphere-Model (STIM, Moore et al., 2004) are extended above the plasma exobase using the formalism of Pierrard and Lemaire (1996, 1998), which evaluates the balance of gravitational, centrifugal and electric forces on the plasma. The parameter space of low-energy ionospheric contributions to Saturn's plasmasphere is explored by comparing results that span the observed extremes of plasma temperature, 650 K to 1700 K, and a range of velocity distributions, Lorentzian (or Kappa) to Maxwellian. Calculations are made for plasma densities along the path of the Cassini spacecraft's orbital insertion on 1 July 2004. These calculations neglect any ring or satellite sources of plasma, which are most likely minor contributors at 1.3 Saturn radii. Modeled densities will be compared with Cassini measurements as they become available. Moore, L.E., M. Mendillo, I.C.F. Mueller-Wodarg, and D.L. Murr, Icarus, 172, 503-520, 2004. Pierrard, V. and J. Lemaire, J. Geophys. Res., 101, 7923-7934, 1996. Pierrard, V. and J. Lemaire, J. Geophys. Res., 103, 4117, 1998.

  3. Keyring models: An approach to steerability

    Science.gov (United States)

    Miller, Carl A.; Colbeck, Roger; Shi, Yaoyun

    2018-02-01

    If a measurement is made on one half of a bipartite system, then, conditioned on the outcome, the other half has a new reduced state. If these reduced states defy classical explanation—that is, if shared randomness cannot produce these reduced states for all possible measurements—the bipartite state is said to be steerable. Determining which states are steerable is a challenging problem even for low dimensions. In the case of two-qubit systems, a criterion is known for T-states (that is, those with maximally mixed marginals) under projective measurements. In the current work, we introduce the concept of keyring models—a special class of local hidden state models. When the measurements made correspond to real projectors, these allow us to study steerability beyond T-states. Using keyring models, we completely solve the steering problem for real projective measurements when the state arises from mixing a pure two-qubit state with uniform noise. We also give a partial solution in the case when the uniform noise is replaced by independent depolarizing channels.

  4. Mathematical Modeling in Mathematics Education: Basic Concepts and Approaches

    Science.gov (United States)

    Erbas, Ayhan Kürsat; Kertil, Mahmut; Çetinkaya, Bülent; Çakiroglu, Erdinç; Alacaci, Cengiz; Bas, Sinem

    2014-01-01

    Mathematical modeling and its role in mathematics education have been receiving increasing attention in Turkey, as in many other countries. The growing body of literature on this topic reveals a variety of approaches to mathematical modeling and related concepts, along with differing perspectives on the use of mathematical modeling in teaching and…

  5. A BEHAVIORAL-APPROACH TO LINEAR EXACT MODELING

    NARCIS (Netherlands)

    ANTOULAS, AC; WILLEMS, JC

    1993-01-01

    The behavioral approach to system theory provides a parameter-free framework for the study of the general problem of linear exact modeling and recursive modeling. The main contribution of this paper is the solution of the (continuous-time) polynomial-exponential time series modeling problem. Both

  6. A modular approach to numerical human body modeling

    NARCIS (Netherlands)

    Forbes, P.A.; Griotto, G.; Rooij, L. van

    2007-01-01

    The choice of a human body model for a simulated automotive impact scenario must take into account both accurate model response and computational efficiency as key factors. This study presents a "modular numerical human body modeling" approach which allows the creation of a customized human body

  7. A Bayesian approach for quantification of model uncertainty

    International Nuclear Information System (INIS)

    Park, Inseok; Amarchinta, Hemanth K.; Grandhi, Ramana V.

    2010-01-01

    In most engineering problems, more than one model can be created to represent an engineering system's behavior. Uncertainty is inevitably involved in selecting the best model from among the models that are possible. Uncertainty in model selection cannot be ignored, especially when the differences between the predictions of competing models are significant. In this research, a methodology is proposed to quantify model uncertainty using measured differences between experimental data and model outcomes under a Bayesian statistical framework. The adjustment factor approach is used to propagate model uncertainty into prediction of a system response. A nonlinear vibration system is used to demonstrate the processes for implementing the adjustment factor approach. Finally, the methodology is applied on the engineering benefits of a laser peening process, and a confidence band for residual stresses is established to indicate the reliability of model prediction.

  8. A Networks Approach to Modeling Enzymatic Reactions.

    Science.gov (United States)

    Imhof, P

    2016-01-01

    Modeling enzymatic reactions is a demanding task due to the complexity of the system, the many degrees of freedom involved and the complex, chemical, and conformational transitions associated with the reaction. Consequently, enzymatic reactions are not determined by precisely one reaction pathway. Hence, it is beneficial to obtain a comprehensive picture of possible reaction paths and competing mechanisms. By combining individually generated intermediate states and chemical transition steps a network of such pathways can be constructed. Transition networks are a discretized representation of a potential energy landscape consisting of a multitude of reaction pathways connecting the end states of the reaction. The graph structure of the network allows an easy identification of the energetically most favorable pathways as well as a number of alternative routes. © 2016 Elsevier Inc. All rights reserved.

  9. Carbonate rock depositional models: A microfacies approach

    Energy Technology Data Exchange (ETDEWEB)

    Carozzi, A.V.

    1988-01-01

    Carbonate rocks contain more than 50% by weight carbonate minerals such as calcite, dolomite, and siderite. Understanding how these rocks form can lead to more efficient methods of petroleum exploration. Micofacies analysis techniques can be used as a method of predicting models of sedimentation for carbonate rocks. Micofacies in carbonate rocks can be seen clearly only in thin sections under a microscope. This section analysis of carbonate rocks is a tool that can be used to understand depositional environments, diagenetic evolution of carbonate rocks, and the formation of porosity and permeability in carbonate rocks. The use of micofacies analysis techniques is applied to understanding the origin and formation of carbonate ramps, carbonate platforms, and carbonate slopes and basins. This book will be of interest to students and professionals concerned with the disciplines of sedimentary petrology, sedimentology, petroleum geology, and palentology.

  10. Risk prediction model: Statistical and artificial neural network approach

    Science.gov (United States)

    Paiman, Nuur Azreen; Hariri, Azian; Masood, Ibrahim

    2017-04-01

    Prediction models are increasingly gaining popularity and had been used in numerous areas of studies to complement and fulfilled clinical reasoning and decision making nowadays. The adoption of such models assist physician's decision making, individual's behavior, and consequently improve individual outcomes and the cost-effectiveness of care. The objective of this paper is to reviewed articles related to risk prediction model in order to understand the suitable approach, development and the validation process of risk prediction model. A qualitative review of the aims, methods and significant main outcomes of the nineteen published articles that developed risk prediction models from numerous fields were done. This paper also reviewed on how researchers develop and validate the risk prediction models based on statistical and artificial neural network approach. From the review done, some methodological recommendation in developing and validating the prediction model were highlighted. According to studies that had been done, artificial neural network approached in developing the prediction model were more accurate compared to statistical approach. However currently, only limited published literature discussed on which approach is more accurate for risk prediction model development.

  11. A new hybrid double divisor ratio spectra method for the analysis of ternary mixtures

    Science.gov (United States)

    Youssef, Rasha M.; Maher, Hadir M.

    2008-10-01

    A new spectrophotometric method was developed for the simultaneous determination of ternary mixtures, without prior separation steps. This method is based on convolution of the double divisor ratio spectra, obtained by dividing the absorption spectrum of the ternary mixture by a standard spectrum of two of the three compounds in the mixture, using combined trigonometric Fourier functions. The magnitude of the Fourier function coefficients, at either maximum or minimum points, is related to the concentration of each drug in the mixture. The mathematical explanation of the procedure is illustrated. The method was applied for the assay of a model mixture consisting of isoniazid (ISN), rifampicin (RIF) and pyrazinamide (PYZ) in synthetic mixtures, commercial tablets and human urine samples. The developed method was compared with the double divisor ratio spectra derivative method (DDRD) and derivative ratio spectra-zero-crossing method (DRSZ). Linearity, validation, accuracy, precision, limits of detection, limits of quantitation, and other aspects of analytical validation are included in the text.

  12. Ternary (liquid + liquid) equilibria of {trifluorotris(perfluoroethyl)phosphate based ionic liquids + thiophene + heptane}

    International Nuclear Information System (INIS)

    Marciniak, Andrzej; Królikowski, Marek

    2012-01-01

    Highlights: ► Ternary (liquid + liquid) equilibria for 3 ionic liquid + thiophene + heptane systems. ► The influence of ionic liquid structure on phase diagrams is discussed. ► High selectivity for separation of heptane/thiophene is observed. - Abstract: Ternary (liquid + liquid) equilibria for three systems containing ionic liquids {(4-(2-methoxyethyl)-4-methylmorpholinium trifluorotris(perfluoroethyl)phosphate, 1-(2-methoxyethyl)-1-methylpiperidinium trifluorotris(perfluoroethyl)phosphate, 1-(2-methoxyethyl)-1-methylpyrrolidinium trifluorotris(perfluoroethyl)phosphate) + thiophene + heptane} have been determined at T = 298.15 K. All systems showed high solubility of thiophene in the ionic liquid and low solubility of heptane. The solute distribution coefficient and the selectivity were calculated for all systems. High values of selectivity were obtained. The experimental results have been correlated using NRTL model. The influence of ionic liquid structure on phase equilibria is discussed.

  13. Probing the evaporation of ternary ethanol-methanol-water droplets by cavity enhanced Raman scattering.

    Science.gov (United States)

    Howle, Chris R; Homer, Chris J; Hopkins, Rebecca J; Reid, Jonathan P

    2007-10-21

    Cavity enhanced Raman scattering is used to characterise the evolving composition of ternary aerosol droplets containing methanol, ethanol and water during evaporation into a dry nitrogen atmosphere. Measurements made using non-linear stimulated Raman scattering from these ternary alcohol-water droplets allow the in situ determination of the concentration of the two alcohol components with high accuracy. The overlapping spontaneous Raman bands of the two alcohol components, arising from C-H stretching vibrational modes, are spectrally-resolved in stimulated Raman scattering measurements. We also demonstrate that the evaporation measurements are consistent with a quasi-steady state evaporation model, which can be used to interpret the evaporation dynamics occurring at a range of pressures at a particular evaporation time.

  14. The influence of high shear mixing on ternary dry powder inhaler formulations.

    Science.gov (United States)

    Hertel, Mats; Schwarz, Eugen; Kobler, Mirjam; Hauptstein, Sabine; Steckel, Hartwig; Scherließ, Regina

    2017-12-20

    The blending process is a key step in the production of dry powder inhaler formulations, but only little is known about the influence of process parameters. This is especially true for high shear blending of ternary formulations. For this reason, this study aims to investigate the influence of high shear mixing process parameters (mixing time and rotation speed) on the fine particle fraction (FPF) of ternary mixtures when using budesonide as model drug, two different carrier materials and two different mixing orders. Prolonged mixing time and higher rotation speeds led to lower FPFs, possibly due to higher press-on forces acting on the active pharmaceutical ingredients (API). In addition, a clear correlation between the energy consumption of the blender (the energy input into the blend) and the reduction of the FPF could be shown. Furthermore blending the carrier and the fines before adding the API was also found to be favorable. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. Reflectance properties of one-dimensional metal-dielectric ternary photonic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Pandey, G. N., E-mail: gnpandey2009@gmail.com [Department of Physics, Amity Institute of Applied Sciences, AmityUniversity, Noida (U.P.) (India); Kumar, Narendra [Department of Physics (CASH), Modi University of Science and Technology, Lakshmangarh, Sikar, Rajsthan (India); Thapa, Khem B. [Department of Physics, U I E T, ChhatrapatiShahu Ji Maharaj University, Kanpur- (UP) (India); Ojha, S. P. [Department of Physics IIT, Banaras Hindu University (India)

    2016-05-06

    Metallic photonic crystal has a very important application in absorption enhancement in solar cells. It has been found that an ultra-thin metallic layer becomes transparent due to internal scattering of light through the each interface of the dielectric and metal surfaces. The metal has absorption due to their surface plasmon and the plasmon has important parameters for changing optical properties of the metal. We consider ternary metallic-dielectric photonic crystal (MDPC) for having large probabilities to change the optical properties of the MDPC and the photonic crystals may be changed by changing dimensionality, symmetry, lattice parameters, Filling fraction and effective refractive index refractive index contrast. In this present communication, we try to show that the photonic band gap in ternary metal-dielectric photonic crystal can be significantly enlarged when air dielectric constant is considered. All the theoretical analyses are made based on the transfer matrix method together with the Drude model of metal.

  16. Asymmetric supercapacitors with metal-like ternary selenides and porous graphene electrodes

    KAUST Repository

    Xia, Chuan

    2016-04-14

    Asymmetric supercapacitors provide a promising approach to fabricate capacitive energy storage devices with high energy and power densities. In this work, asymmetric supercapacitors with excellent performance have been fabricated using ternary (Ni, Co)0.85Se on carbon fabric as bind-free positive electrode and porous free-standing graphene films as negative electrode. Owing to their metal-like conductivity (~1.67×106 S m−1), significant electrochemical activity, and superhydrophilic nature, our nanostructured ternary nickel cobalt selenides result in a much higher areal capacitance (2.33 F cm−2 at 4 mA cm−2), better rate performance and cycling stability than their binary selenide equivalents, and other ternary oxides and chalcogenides. Those hybrid supercapacitors can afford impressive areal capacitance and stack capacitance of 529.3 mF cm−2 and 6330 mF cm−3 at 1 mA cm−2, respectively. More impressively, our optimized asymmetric device operating at 1.8 V delivers a very high stack energy density of 2.85 mWh cm−3 at a stack power density of 10.76 mW cm−3, as well as 85% capacitance retention after 10,000 continuous charge-discharge cycles. Even at a high stack power density of 1173 mW cm−3, this device still deliveries a stack energy density of 1.19 mWh cm−3, superior to most of the reported supercapacitors.

  17. A dual model approach to ground water recovery trench design

    International Nuclear Information System (INIS)

    Clodfelter, C.L.; Crouch, M.S.

    1992-01-01

    The design of trenches for contaminated ground water recovery must consider several variables. This paper presents a dual-model approach for effectively recovering contaminated ground water migrating toward a trench by advection. The approach involves an analytical model to determine the vertical influence of the trench and a numerical flow model to determine the capture zone within the trench and the surrounding aquifer. The analytical model is utilized by varying trench dimensions and head values to design a trench which meets the remediation criteria. The numerical flow model is utilized to select the type of backfill and location of sumps within the trench. The dual-model approach can be used to design a recovery trench which effectively captures advective migration of contaminants in the vertical and horizontal planes

  18. On the Growth of Ternary System HNO3/H2SO4/H2O Aerosol Particles in the Stratosphere

    Science.gov (United States)

    Hamill, Patrick; Tabazadeh, A.; Kinne, S.; Toon, O. B.; Turco, R. P.

    1996-01-01

    We present a study of the growth of ternary solution (nitric acid, sulfuric acid and water) droplets in the stratosphere. The growth mechanism is hetero-molecular condensation in which the particle is assumed to be in equilibrium with environmental water vapor. Model results are in reasonable agreement with the averaged extinction ratio obtained by the SAM II satellite system.

  19. Speeds of sound and isothermal compressibility of ternary liquid ...

    Indian Academy of Sciences (India)

    Thermo-acoustics Research Lab, Department of Chemistry, University of Allahabad,. Allahabad 211 002, India ... compressibility data of these industrially important organic compounds of ternary and higher liquid ... distillation. Densities and ...

  20. Kinetic study of lithium-cadmium ternary amalgam decomposition

    International Nuclear Information System (INIS)

    Cordova, M.H.; Andrade, C.E.

    1992-01-01

    The effect of metals, which form stable lithium phase in binary alloys, on the formation of intermetallic species in ternary amalgams and their effect on thermal decomposition in contact with water is analyzed. Cd is selected as ternary metal, based on general experimental selection criteria. Cd (Hg) binary amalgams are prepared by direct contact Cd-Hg, whereas Li is formed by electrolysis of Li OH aq using a liquid Cd (Hg) cathodic well. The decomposition kinetic of Li C(Hg) in contact with 0.6 M Li OH is studied in function of ageing and temperature, and these results are compared with the binary amalgam Li (Hg) decomposition. The decomposition rate is constant during one hour for binary and ternary systems. Ageing does not affect the binary systems but increases the decomposition activation energy of ternary systems. A reaction mechanism that considers an intermetallic specie participating in the activated complex is proposed and a kinetic law is suggested. (author)

  1. Ternary complex formation at mineral/solution interfaces

    International Nuclear Information System (INIS)

    Leckie, J.O.

    1995-01-01

    Adsorption of trace concentrations of radionuclides and heavy metals from aqueous solution is dependent on pH, absorbent and adsorbate concentration, and speciation of the metal in solution. In particular, complexation of metal ions by organic and inorganic ligands can dramatically alter adsorption behavior compared to ligand-free systems. The presence of complexing ligands can cause the formation of ''metal like'' or ''ligand like'' ternary surface complexes depending on whether adsorption of the ternary complex increases or decreases with increasing pH, respectively. Examples of ternary surface complexes behaving ''metal like'' include uranyl-EDTA surface complexes on goethite, neptunyl-EDTA surface complexes on hematite and neptunyl-humic surface complexes on gibbsite. Examples of ''ligand like'' ternary surface complexes include uranyl-carbonato and neptunyl-carbonato surface complexes on iron oxides. The effects of complex solutions and multimineralic systems are discussed. (authors). 39 refs., 16 figs., 8 tabs

  2. Virtuous organization: A structural equation modeling approach

    Directory of Open Access Journals (Sweden)

    Majid Zamahani

    2013-02-01

    Full Text Available For years, the idea of virtue was unfavorable among researchers and virtues were traditionally considered as culture-specific, relativistic and they were supposed to be associated with social conservatism, religious or moral dogmatism, and scientific irrelevance. Virtue and virtuousness have been recently considered seriously among organizational researchers. The proposed study of this paper examines the relationships between leadership, organizational culture, human resource, structure and processes, care for community and virtuous organization. Structural equation modeling is employed to investigate the effects of each variable on other components. The data used in this study consists of questionnaire responses from employees in Payam e Noor University in Yazd province. A total of 250 questionnaires were sent out and a total of 211 valid responses were received. Our results have revealed that all the five variables have positive and significant impacts on virtuous organization. Among the five variables, organizational culture has the most direct impact (0.80 and human resource has the most total impact (0.844 on virtuous organization.

  3. A systemic approach for modeling soil functions

    Science.gov (United States)

    Vogel, Hans-Jörg; Bartke, Stephan; Daedlow, Katrin; Helming, Katharina; Kögel-Knabner, Ingrid; Lang, Birgit; Rabot, Eva; Russell, David; Stößel, Bastian; Weller, Ulrich; Wiesmeier, Martin; Wollschläger, Ute

    2018-03-01

    The central importance of soil for the functioning of terrestrial systems is increasingly recognized. Critically relevant for water quality, climate control, nutrient cycling and biodiversity, soil provides more functions than just the basis for agricultural production. Nowadays, soil is increasingly under pressure as a limited resource for the production of food, energy and raw materials. This has led to an increasing demand for concepts assessing soil functions so that they can be adequately considered in decision-making aimed at sustainable soil management. The various soil science disciplines have progressively developed highly sophisticated methods to explore the multitude of physical, chemical and biological processes in soil. It is not obvious, however, how the steadily improving insight into soil processes may contribute to the evaluation of soil functions. Here, we present to a new systemic modeling framework that allows for a consistent coupling between reductionist yet observable indicators for soil functions with detailed process understanding. It is based on the mechanistic relationships between soil functional attributes, each explained by a network of interacting processes as derived from scientific evidence. The non-linear character of these interactions produces stability and resilience of soil with respect to functional characteristics. We anticipate that this new conceptional framework will integrate the various soil science disciplines and help identify important future research questions at the interface between disciplines. It allows the overwhelming complexity of soil systems to be adequately coped with and paves the way for steadily improving our capability to assess soil functions based on scientific understanding.

  4. An intimately bonded titanate nanotube–polyaniline–gold nanoparticle ternary composite as a scaffold for electrochemical enzyme biosensors

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiaoqiang, E-mail: liuxiaoqiang@henu.edu.cn [Institute of Environmental and Analytical Sciences, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan Province, 475004 (China); Zhu, Jie; Huo, Xiaohe; Yan, Rui [Institute of Environmental and Analytical Sciences, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan Province, 475004 (China); Wong, Danny K.Y., E-mail: Danny.Wong@mq.edu.au [Department of Chemistry and Biomolecular Sciences, Macquarie University, Sydney, NSW 2109 (Australia)

    2016-03-10

    In this work, titanate nanotubes (TNTs), polyaniline (PANI) and gold nanoparticles (GNPs) were assembled to form a ternary composite, which was then applied on an electrode as a scaffold of an electrochemical enzyme biosensor. The scaffold was constructed by oxidatively polymerising aniline to produce an emeraldine salt of PANI on TNTs, followed by gold nanoparticle deposition. A novel aspect of this scaffold lies in the use of the emeraldine salt of PANI as a molecular wire between TNTs and GNPs. Using horseradish peroxidase (HRP) as a model enzyme, voltammetric results demonstrated that direct electron transfer of HRP was achieved at both TNT-PANI and TNT-PANI-GNP-modified electrodes. More significantly, the catalytic reduction current of H{sub 2}O{sub 2} by HRP was ∼75% enhanced at the TNT-PANI-GNP-modified electrode, compared to that at the TNT-PANI-modified electrode. The heterogeneous electron transfer rate constant of HRP was found to be ∼3 times larger at the TNT-PANI-GNP-modified electrode than that at the TNT-PANI-modified electrode. Based on chronoamperometric detection of H{sub 2}O{sub 2}, a linear range from 1 to 1200 μM, a sensitivity of 22.7 μA mM{sup −1} and a detection limit of 0.13 μM were obtained at the TNT-PANI-GNP-modified electrode. The performance of the biosensor can be ascribed to the superior synergistic properties of the ternary composite. - Highlights: • A ternary TiO{sub 2} nanotube–polyaniline–gold nanoparticle composite was developed. • New synthetic route for ternary composite with a polyaniline molecular wire between TiO{sub 2} nanotubes and gold nanoparticles. • An electrochemical biosensor with ternary composite as a scaffold. • Ternary composite facilitated improved analytical performance of electrochemical biosensor.

  5. Modeling of phase equilibria with CPA using the homomorph approach

    DEFF Research Database (Denmark)

    Breil, Martin Peter; Tsivintzelis, Ioannis; Kontogeorgis, Georgios

    2011-01-01

    For association models, like CPA and SAFT, a classical approach is often used for estimating pure-compound and mixture parameters. According to this approach, the pure-compound parameters are estimated from vapor pressure and liquid density data. Then, the binary interaction parameters, kij, are ...

  6. Modular Modelling and Simulation Approach - Applied to Refrigeration Systems

    DEFF Research Database (Denmark)

    Sørensen, Kresten Kjær; Stoustrup, Jakob

    2008-01-01

    This paper presents an approach to modelling and simulation of the thermal dynamics of a refrigeration system, specifically a reefer container. A modular approach is used and the objective is to increase the speed and flexibility of the developed simulation environment. The refrigeration system...

  7. A Constructive Neural-Network Approach to Modeling Psychological Development

    Science.gov (United States)

    Shultz, Thomas R.

    2012-01-01

    This article reviews a particular computational modeling approach to the study of psychological development--that of constructive neural networks. This approach is applied to a variety of developmental domains and issues, including Piagetian tasks, shift learning, language acquisition, number comparison, habituation of visual attention, concept…

  8. The Intersystem Model of Psychotherapy: An Integrated Systems Treatment Approach

    Science.gov (United States)

    Weeks, Gerald R.; Cross, Chad L.

    2004-01-01

    This article introduces the intersystem model of psychotherapy and discusses its utility as a truly integrative and comprehensive approach. The foundation of this conceptually complex approach comes from dialectic metatheory; hence, its derivation requires an understanding of both foundational and integrational constructs. The article provides a…

  9. Bystander Approaches: Empowering Students to Model Ethical Sexual Behavior

    Science.gov (United States)

    Lynch, Annette; Fleming, Wm. Michael

    2005-01-01

    Sexual violence on college campuses is well documented. Prevention education has emerged as an alternative to victim-- and perpetrator--oriented approaches used in the past. One sexual violence prevention education approach focuses on educating and empowering the bystander to become a point of ethical intervention. In this model, bystanders to…

  10. Modelling road accidents: An approach using structural time series

    Science.gov (United States)

    Junus, Noor Wahida Md; Ismail, Mohd Tahir

    2014-09-01

    In this paper, the trend of road accidents in Malaysia for the years 2001 until 2012 was modelled using a structural time series approach. The structural time series model was identified using a stepwise method, and the residuals for each model were tested. The best-fitted model was chosen based on the smallest Akaike Information Criterion (AIC) and prediction error variance. In order to check the quality of the model, a data validation procedure was performed by predicting the monthly number of road accidents for the year 2012. Results indicate that the best specification of the structural time series model to represent road accidents is the local level with a seasonal model.

  11. Numerical approaches to expansion process modeling

    Directory of Open Access Journals (Sweden)

    G. V. Alekseev

    2017-01-01

    Full Text Available Forage production is currently undergoing a period of intensive renovation and introduction of the most advanced technologies and equipment. More and more often such methods as barley toasting, grain extrusion, steaming and grain flattening, boiling bed explosion, infrared ray treatment of cereals and legumes, followed by flattening, and one-time or two-time granulation of the purified whole grain without humidification in matrix presses By grinding the granules. These methods require special apparatuses, machines, auxiliary equipment, created on the basis of different methods of compiled mathematical models. When roasting, simulating the heat fields arising in the working chamber, provide such conditions, the decomposition of a portion of the starch to monosaccharides, which makes the grain sweetish, but due to protein denaturation the digestibility of the protein and the availability of amino acids decrease somewhat. Grain is roasted mainly for young animals in order to teach them to eat food at an early age, stimulate the secretory activity of digestion, better development of the masticatory muscles. In addition, the high temperature is detrimental to bacterial contamination and various types of fungi, which largely avoids possible diseases of the gastrointestinal tract. This method has found wide application directly on the farms. Apply when used in feeding animals and legumes: peas, soy, lupine and lentils. These feeds are preliminarily ground, and then cooked or steamed for 1 hour for 30–40 minutes. In the feed mill. Such processing of feeds allows inactivating the anti-nutrients in them, which reduce the effectiveness of their use. After processing, legumes are used as protein supplements in an amount of 25–30% of the total nutritional value of the diet. But it is recommended to cook and steal a grain of good quality. A poor-quality grain that has been stored for a long time and damaged by pathogenic micro flora is subject to

  12. Modelling and Generating Ajax Applications : A Model-Driven Approach

    NARCIS (Netherlands)

    Gharavi, V.; Mesbah, A.; Van Deursen, A.

    2008-01-01

    Preprint of paper published in: IWWOST 2008 - 7th International Workshop on Web-Oriented Software Technologies, 14-15 July 2008 AJAX is a promising and rapidly evolving approach for building highly interactive web applications. In AJAX, user interface components and the event-based interaction

  13. Tricolore. A flexible color scale for ternary compositions

    DEFF Research Database (Denmark)

    2018-01-01

    tricolore is an R library providing a flexible color scale for the visualization of three-part/ternary compositions. Its main functionality is to color-code any ternary composition as a mixture of three primary colours and to draw a suitable color-key. tricolore flexibly adapts to different...... visualisation challenges via - discrete and continuous color support - support for unbalanced compositional data via centering - support for data with very narrow range via scaling - hue, chroma and lightness options...

  14. Analytical determination of distillation boundaries for ternary azeotropic systems

    OpenAIRE

    Marcilla Gomis, Antonio; Reyes Labarta, Juan Antonio; Velasco, Raúl; Serrano Cayuelas, María Dolores; Olaya López, María del Mar

    2009-01-01

    A new straight forward algorithm to calculate distillation boundaries in ternary azeotropic systems has been developed. The proposed method allows, using cubic splines, the calculation of distillation trajectories and the calculation of that corresponding to the searched distillation boundaries. The algorithm is applied to 4 ternary liquid-vapour systems to test its validity. Vicepresidency of Research (University of Alicante) and Generalitat Valenciana (GV/2007/125)

  15. Understanding Gulf War Illness: An Integrative Modeling Approach

    Science.gov (United States)

    2017-10-01

    using a novel mathematical model. The computational biology approach will enable the consortium to quickly identify targets of dysfunction and find... computer / mathematical paradigms for evaluation of treatment strategies 12-30 50% Develop pilot clinical trials on basis of animal studies 24-36 60...the goal of testing chemical treatments. The immune and autonomic biomarkers will be tested using a computational modeling approach allowing for a

  16. A Structural Modeling Approach to a Multilevel Random Coefficients Model.

    Science.gov (United States)

    Rovine, Michael J.; Molenaar, Peter C. M.

    2000-01-01

    Presents a method for estimating the random coefficients model using covariance structure modeling and allowing one to estimate both fixed and random effects. The method is applied to real and simulated data, including marriage data from J. Belsky and M. Rovine (1990). (SLD)

  17. Data Analysis A Model Comparison Approach, Second Edition

    CERN Document Server

    Judd, Charles M; Ryan, Carey S

    2008-01-01

    This completely rewritten classic text features many new examples, insights and topics including mediational, categorical, and multilevel models. Substantially reorganized, this edition provides a briefer, more streamlined examination of data analysis. Noted for its model-comparison approach and unified framework based on the general linear model, the book provides readers with a greater understanding of a variety of statistical procedures. This consistent framework, including consistent vocabulary and notation, is used throughout to develop fewer but more powerful model building techniques. T

  18. Viscosity and density data for the ternary system water(1)–ethanol(2)–ethylene glycol(3) between 298.15 K and 328.15 K

    International Nuclear Information System (INIS)

    Quijada-Maldonado, E.; Meindersma, G.W.; Haan, A.B. de

    2013-01-01

    Highlights: ► We measure density and dynamic viscosity of pure ethylene glycol. ► We measure ternary densities with water and ethanol. ► We measure ternary dynamic viscosities with water and ethanol. ► The Eyring–Patel–Teja model correlate well ternary viscosities. ► We predict ternary dynamic viscosities with the ASOG-VISCO model. - Abstract: Ethylene glycol is an organic solvent used in extractive distillation to separate water–ethanol mixtures. An appropriate process description requires accurate physical property data. In this paper, experimental liquid densities and dynamic viscosities of pure ethylene glycol as well as the ternary system water–ethanol–ethylene glycol are presented over a wide temperature range (298.15 K to 328.15 K) at atmospheric pressure. A quadratic mixing rule was used to correlate the ternary liquid densities. The Eyring–Patel–Teja model with two Margules-type mixing rules for polar and aqueous systems is used to correlate the dynamic viscosity data over the measured ternary compositions and temperatures. An excellent agreement with experimental data is obtained. Additionally, the predictive ASOG-VISCO model demonstrated a good representation of the experimental data.

  19. Impact of ternary blends of biodiesel on diesel engine performance

    Directory of Open Access Journals (Sweden)

    Prem Kumar

    2016-06-01

    Full Text Available The Pongamia and waste cooking oils are the main non edible oils for biodiesel production in India. The aim of the present work is to evaluate the fuel properties and investigate the impact on engine performance using Pongamia and waste cooking biodiesel and their ternary blend with diesel. The investigation of the fuel properties shows that Pongamia biodiesel and waste cooking biodiesel have poor cold flow property. This will lead to starting problem in the engine operation. To overcome this problem the ternary blends of diesel, waste cooking biodiesel and Pongamia biodiesel are prepared. The cloud and pour point for ternary blend, (WCB20:PB20:D60 were found to be 7 °C and 6.5 °C which are comparable to cloud and pour point of diesel 6 °C and 5 °C, respectively. The result of the test showed that brake specific fuel consumption for Pongamia biodiesel and waste cooking biodiesel is higher than ternary blend, (WCB20:PB20:D60 due to their lower energy content. The brake thermal efficiency of ternary blend and diesel is comparable while the Pongamia and waste cooking biodiesel have low efficiency. The result of investigation showed that ternary blend can be developed as alternate fuel.

  20. Experimental and thermodynamic study of the Er-H-Zr ternary system

    International Nuclear Information System (INIS)

    Mascaro, A.

    2012-01-01

    This work at CEA is being achieved in the framework of the development of an innovating concept including the neutronic solid burnable poison, such as erbium, inside the cladding of pressurized water reactors. These new claddings are constituted by a liner of a zirconium base alloy slightly enriched in erbium between two liners of industrial zirconium alloys. Into the reactor core, the water dissociates at the surface of the cladding. So it is interesting to evaluate the interactions between the hydrogen released and the Zr-Er alloy. To do so, the Er-H-Zr ternary system has to be determined such similarly to its associated binaries. This can be done by experimental determination and by thermodynamic modelling. Both techniques were used in this work. Er-Zr and H-Zr have already been studied experimentally and modelled, but the Er-H binary system is almost unknown. So, we studied it experimentally. Then, it has been modelled using the Calphad method. We obtain a new evaluation of the Er-H binary system with phases limits rather different than what has been proposed in the literature. In order to determine the phase limits and, the potential existence of a ternary compound in the Er-H-Zr ternary system, an experimental study has been carried out. An original technique has been used to obtain the chemical compositions: ERDA combined with RBS. In this study, we propose a new isothermal section at 350 C of the Er-H-Zr ternary system. About the modelling, the compatibility of the three modelled binaries has been checked in order to optimize the ternary system by the projection of the three binaries. The calculation obtained is in good agreement with the experimental isothermal section at 350 C determined in our work. Finally, uniaxial tensile test campaigns have been conducted to evaluate the impact of erbium and/or hydrogen on the mechanical properties of an industrial zirconium pure alloy. We evidenced a hardening effect of erbium and hydrogen but these effects are not

  1. A novel approach to modeling and diagnosing the cardiovascular system

    Energy Technology Data Exchange (ETDEWEB)

    Keller, P.E.; Kangas, L.J.; Hashem, S.; Kouzes, R.T. [Pacific Northwest Lab., Richland, WA (United States); Allen, P.A. [Life Link, Richland, WA (United States)

    1995-07-01

    A novel approach to modeling and diagnosing the cardiovascular system is introduced. A model exhibits a subset of the dynamics of the cardiovascular behavior of an individual by using a recurrent artificial neural network. Potentially, a model will be incorporated into a cardiovascular diagnostic system. This approach is unique in that each cardiovascular model is developed from physiological measurements of an individual. Any differences between the modeled variables and the variables of an individual at a given time are used for diagnosis. This approach also exploits sensor fusion to optimize the utilization of biomedical sensors. The advantage of sensor fusion has been demonstrated in applications including control and diagnostics of mechanical and chemical processes.

  2. Synthesis of industrial applications of local approach to fracture models

    International Nuclear Information System (INIS)

    Eripret, C.

    1993-03-01

    This report gathers different applications of local approach to fracture models to various industrial configurations, such as nuclear pressure vessel steel, cast duplex stainless steels, or primary circuit welds such as bimetallic welds. As soon as models are developed on the basis of microstructural observations, damage mechanisms analyses, and fracture process, the local approach to fracture proves to solve problems where classical fracture mechanics concepts fail. Therefore, local approach appears to be a powerful tool, which completes the standard fracture criteria used in nuclear industry by exhibiting where and why those classical concepts become unvalid. (author). 1 tab., 18 figs., 25 refs

  3. Mathematical models for therapeutic approaches to control HIV disease transmission

    CERN Document Server

    Roy, Priti Kumar

    2015-01-01

    The book discusses different therapeutic approaches based on different mathematical models to control the HIV/AIDS disease transmission. It uses clinical data, collected from different cited sources, to formulate the deterministic as well as stochastic mathematical models of HIV/AIDS. It provides complementary approaches, from deterministic and stochastic points of view, to optimal control strategy with perfect drug adherence and also tries to seek viewpoints of the same issue from different angles with various mathematical models to computer simulations. The book presents essential methods and techniques for students who are interested in designing epidemiological models on HIV/AIDS. It also guides research scientists, working in the periphery of mathematical modeling, and helps them to explore a hypothetical method by examining its consequences in the form of a mathematical modelling and making some scientific predictions. The model equations, mathematical analysis and several numerical simulations that are...

  4. A model-driven approach to information security compliance

    Science.gov (United States)

    Correia, Anacleto; Gonçalves, António; Teodoro, M. Filomena

    2017-06-01

    The availability, integrity and confidentiality of information are fundamental to the long-term survival of any organization. Information security is a complex issue that must be holistically approached, combining assets that support corporate systems, in an extended network of business partners, vendors, customers and other stakeholders. This paper addresses the conception and implementation of information security systems, conform the ISO/IEC 27000 set of standards, using the model-driven approach. The process begins with the conception of a domain level model (computation independent model) based on information security vocabulary present in the ISO/IEC 27001 standard. Based on this model, after embedding in the model mandatory rules for attaining ISO/IEC 27001 conformance, a platform independent model is derived. Finally, a platform specific model serves the base for testing the compliance of information security systems with the ISO/IEC 27000 set of standards.

  5. A Model-Driven Approach for Telecommunications Network Services Definition

    Science.gov (United States)

    Chiprianov, Vanea; Kermarrec, Yvon; Alff, Patrick D.

    Present day Telecommunications market imposes a short concept-to-market time for service providers. To reduce it, we propose a computer-aided, model-driven, service-specific tool, with support for collaborative work and for checking properties on models. We started by defining a prototype of the Meta-model (MM) of the service domain. Using this prototype, we defined a simple graphical modeling language specific for service designers. We are currently enlarging the MM of the domain using model transformations from Network Abstractions Layers (NALs). In the future, we will investigate approaches to ensure the support for collaborative work and for checking properties on models.

  6. An approach for activity-based DEVS model specification

    DEFF Research Database (Denmark)

    Alshareef, Abdurrahman; Sarjoughian, Hessam S.; Zarrin, Bahram

    2016-01-01

    Creation of DEVS models has been advanced through Model Driven Architecture and its frameworks. The overarching role of the frameworks has been to help develop model specifications in a disciplined fashion. Frameworks can provide intermediary layers between the higher level mathematical models...... and their corresponding software specifications from both structural and behavioral aspects. Unlike structural modeling, developing models to specify behavior of systems is known to be harder and more complex, particularly when operations with non-trivial control schemes are required. In this paper, we propose specifying...... activity-based behavior modeling of parallel DEVS atomic models. We consider UML activities and actions as fundamental units of behavior modeling, especially in the presence of recent advances in the UML 2.5 specifications. We describe in detail how to approach activity modeling with a set of elemental...

  7. On the decoding process in ternary error-correcting output codes.

    Science.gov (United States)

    Escalera, Sergio; Pujol, Oriol; Radeva, Petia

    2010-01-01

    A common way to model multiclass classification problems is to design a set of binary classifiers and to combine them. Error-Correcting Output Codes (ECOC) represent a successful framework to deal with these type of problems. Recent works in the ECOC framework showed significant performance improvements by means of new problem-dependent designs based on the ternary ECOC framework. The ternary framework contains a larger set of binary problems because of the use of a "do not care" symbol that allows us to ignore some classes by a given classifier. However, there are no proper studies that analyze the effect of the new symbol at the decoding step. In this paper, we present a taxonomy that embeds all binary and ternary ECOC decoding strategies into four groups. We show that the zero symbol introduces two kinds of biases that require redefinition of the decoding design. A new type of decoding measure is proposed, and two novel decoding strategies are defined. We evaluate the state-of-the-art coding and decoding strategies over a set of UCI Machine Learning Repository data sets and into a real traffic sign categorization problem. The experimental results show that, following the new decoding strategies, the performance of the ECOC design is significantly improved.

  8. Ternary toxicological interactions of insecticides, herbicides, and a heavy metal on the earthworm Eisenia fetida

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yanhua [State Key Laboratory Breeding Base for Zhejiang Sustainable Pest and Disease Control/Key Laboratory for Pesticide Residue Detection of Ministry of Agriculture, Institute of Quality and Standard for Agro-products, Zhejiang Academy of Agricultural Sciences, Hangzhou 310021 (China); Chen, Chen [Key Laboratory of Agro-Product Quality and Safety of Ministry of Agriculture, Institute of Quality Standards and Testing Technology for Agro-Products, Chinese Academy of Agricultural Sciences, Beijing 100081 (China); Qian, Yongzhong, E-mail: qyzcaas@aliyun.com [Key Laboratory of Agro-Product Quality and Safety of Ministry of Agriculture, Institute of Quality Standards and Testing Technology for Agro-Products, Chinese Academy of Agricultural Sciences, Beijing 100081 (China); Zhao, Xueping [State Key Laboratory Breeding Base for Zhejiang Sustainable Pest and Disease Control/Key Laboratory for Pesticide Residue Detection of Ministry of Agriculture, Institute of Quality and Standard for Agro-products, Zhejiang Academy of Agricultural Sciences, Hangzhou 310021 (China); Wang, Qiang, E-mail: qiangwang2003@vip.sina.com [State Key Laboratory Breeding Base for Zhejiang Sustainable Pest and Disease Control/Key Laboratory for Pesticide Residue Detection of Ministry of Agriculture, Institute of Quality and Standard for Agro-products, Zhejiang Academy of Agricultural Sciences, Hangzhou 310021 (China)

    2015-03-02

    Highlights: • The combined toxicity of insecticides, herbicides, and a heavy metal was examined. • Acute earthworm toxicity assays were conducted in twenty-one ternary mixtures. • Synergism predominated in the majority of the mixtures at low effect levels. • Combination index method could more accurately predict the combined toxicity. - Abstract: The combined toxicities of five insecticides (chlorpyrifos, avermectin, imidacloprid, λ-cyhalothrin, and phoxim), two herbicides (atrazine and butachlor), and a heavy metal (cadmium) have been examined using the acute toxicity test on the earthworm. With a concentration of 2.75 mg/kg being lethal for 50% of the organisms, imidacloprid exhibited the highest acute toxicity toward the earthworm Eisenia fetida. Toxicological interactions of these chemicals in ternary mixtures were studied using the combination-index (CI) equation method. Twenty-one ternary mixtures exhibited various interactive effects, in which 11 combinations showed synergistic effects, four led to dual synergistic/additive behaviors, one exhibited an additive effect, and five showed increasing antagonism within the entire range of effects. The CI method was compared with the classical models of concentration addition and independent action, and it was found that the CI method could accurately predict combined toxicity of the chemicals studied. The predicted synergism in the majority of the mixtures, especially at low-effect levels, might have implications in the real terrestrial environment.

  9. Ternary toxicological interactions of insecticides, herbicides, and a heavy metal on the earthworm Eisenia fetida

    International Nuclear Information System (INIS)

    Wang, Yanhua; Chen, Chen; Qian, Yongzhong; Zhao, Xueping; Wang, Qiang

    2015-01-01

    Highlights: • The combined toxicity of insecticides, herbicides, and a heavy metal was examined. • Acute earthworm toxicity assays were conducted in twenty-one ternary mixtures. • Synergism predominated in the majority of the mixtures at low effect levels. • Combination index method could more accurately predict the combined toxicity. - Abstract: The combined toxicities of five insecticides (chlorpyrifos, avermectin, imidacloprid, λ-cyhalothrin, and phoxim), two herbicides (atrazine and butachlor), and a heavy metal (cadmium) have been examined using the acute toxicity test on the earthworm. With a concentration of 2.75 mg/kg being lethal for 50% of the organisms, imidacloprid exhibited the highest acute toxicity toward the earthworm Eisenia fetida. Toxicological interactions of these chemicals in ternary mixtures were studied using the combination-index (CI) equation method. Twenty-one ternary mixtures exhibited various interactive effects, in which 11 combinations showed synergistic effects, four led to dual synergistic/additive behaviors, one exhibited an additive effect, and five showed increasing antagonism within the entire range of effects. The CI method was compared with the classical models of concentration addition and independent action, and it was found that the CI method could accurately predict combined toxicity of the chemicals studied. The predicted synergism in the majority of the mixtures, especially at low-effect levels, might have implications in the real terrestrial environment

  10. Modelling diversity in building occupant behaviour: a novel statistical approach

    DEFF Research Database (Denmark)

    Haldi, Frédéric; Calì, Davide; Andersen, Rune Korsholm

    2016-01-01

    We propose an advanced modelling framework to predict the scope and effects of behavioural diversity regarding building occupant actions on window openings, shading devices and lighting. We develop a statistical approach based on generalised linear mixed models to account for the longitudinal nat...

  11. Sensitivity analysis approaches applied to systems biology models.

    Science.gov (United States)

    Zi, Z

    2011-11-01

    With the rising application of systems biology, sensitivity analysis methods have been widely applied to study the biological systems, including metabolic networks, signalling pathways and genetic circuits. Sensitivity analysis can provide valuable insights about how robust the biological responses are with respect to the changes of biological parameters and which model inputs are the key factors that affect the model outputs. In addition, sensitivity analysis is valuable for guiding experimental analysis, model reduction and parameter estimation. Local and global sensitivity analysis approaches are the two types of sensitivity analysis that are commonly applied in systems biology. Local sensitivity analysis is a classic method that studies the impact of small perturbations on the model outputs. On the other hand, global sensitivity analysis approaches have been applied to understand how the model outputs are affected by large variations of the model input parameters. In this review, the author introduces the basic concepts of sensitivity analysis approaches applied to systems biology models. Moreover, the author discusses the advantages and disadvantages of different sensitivity analysis methods, how to choose a proper sensitivity analysis approach, the available sensitivity analysis tools for systems biology models and the caveats in the interpretation of sensitivity analysis results.

  12. A qualitative evaluation approach for energy system modelling frameworks

    DEFF Research Database (Denmark)

    Wiese, Frauke; Hilpert, Simon; Kaldemeyer, Cord

    2018-01-01

    properties define how useful it is in regard to the existing challenges. For energy system models, evaluation methods exist, but we argue that many decisions upon properties are rather made on the model generator or framework level. Thus, this paper presents a qualitative approach to evaluate frameworks...

  13. Modeling Alaska boreal forests with a controlled trend surface approach

    Science.gov (United States)

    Mo Zhou; Jingjing Liang

    2012-01-01

    An approach of Controlled Trend Surface was proposed to simultaneously take into consideration large-scale spatial trends and nonspatial effects. A geospatial model of the Alaska boreal forest was developed from 446 permanent sample plots, which addressed large-scale spatial trends in recruitment, diameter growth, and mortality. The model was tested on two sets of...

  14. Refining the Committee Approach and Uncertainty Prediction in Hydrological Modelling

    NARCIS (Netherlands)

    Kayastha, N.

    2014-01-01

    Due to the complexity of hydrological systems a single model may be unable to capture the full range of a catchment response and accurately predict the streamflows. The multi modelling approach opens up possibilities for handling such difficulties and allows improve the predictive capability of

  15. Towards modeling future energy infrastructures - the ELECTRA system engineering approach

    DEFF Research Database (Denmark)

    Uslar, Mathias; Heussen, Kai

    2016-01-01

    of the IEC 62559 use case template as well as needed changes to cope particularly with the aspects of controller conflicts and Greenfield technology modeling. From the original envisioned use of the standards, we show a possible transfer on how to properly deal with a Greenfield approach when modeling....

  16. A Model-Driven Approach to e-Course Management

    Science.gov (United States)

    Savic, Goran; Segedinac, Milan; Milenkovic, Dušica; Hrin, Tamara; Segedinac, Mirjana

    2018-01-01

    This paper presents research on using a model-driven approach to the development and management of electronic courses. We propose a course management system which stores a course model represented as distinct machine-readable components containing domain knowledge of different course aspects. Based on this formally defined platform-independent…

  17. A study of multidimensional modeling approaches for data warehouse

    Science.gov (United States)

    Yusof, Sharmila Mat; Sidi, Fatimah; Ibrahim, Hamidah; Affendey, Lilly Suriani

    2016-08-01

    Data warehouse system is used to support the process of organizational decision making. Hence, the system must extract and integrate information from heterogeneous data sources in order to uncover relevant knowledge suitable for decision making process. However, the development of data warehouse is a difficult and complex process especially in its conceptual design (multidimensional modeling). Thus, there have been various approaches proposed to overcome the difficulty. This study surveys and compares the approaches of multidimensional modeling and highlights the issues, trend and solution proposed to date. The contribution is on the state of the art of the multidimensional modeling design.

  18. Gray-box modelling approach for description of storage tunnel

    DEFF Research Database (Denmark)

    Harremoës, Poul; Carstensen, Jacob

    1999-01-01

    The dynamics of a storage tunnel is examined using a model based on on-line measured data and a combination of simple deterministic and black-box stochastic elements. This approach, called gray-box modeling, is a new promising methodology for giving an on-line state description of sewer systems...... of the water in the overflow structures. The capacity of a pump draining the storage tunnel is estimated for two different rain events, revealing that the pump was malfunctioning during the first rain event. The proposed modeling approach can be used in automated online surveillance and control and implemented...

  19. Meta-analysis a structural equation modeling approach

    CERN Document Server

    Cheung, Mike W-L

    2015-01-01

    Presents a novel approach to conducting meta-analysis using structural equation modeling. Structural equation modeling (SEM) and meta-analysis are two powerful statistical methods in the educational, social, behavioral, and medical sciences. They are often treated as two unrelated topics in the literature. This book presents a unified framework on analyzing meta-analytic data within the SEM framework, and illustrates how to conduct meta-analysis using the metaSEM package in the R statistical environment. Meta-Analysis: A Structural Equation Modeling Approach begins by introducing the impo

  20. Learning the Task Management Space of an Aircraft Approach Model

    Science.gov (United States)

    Krall, Joseph; Menzies, Tim; Davies, Misty

    2014-01-01

    Validating models of airspace operations is a particular challenge. These models are often aimed at finding and exploring safety violations, and aim to be accurate representations of real-world behavior. However, the rules governing the behavior are quite complex: nonlinear physics, operational modes, human behavior, and stochastic environmental concerns all determine the responses of the system. In this paper, we present a study on aircraft runway approaches as modeled in Georgia Tech's Work Models that Compute (WMC) simulation. We use a new learner, Genetic-Active Learning for Search-Based Software Engineering (GALE) to discover the Pareto frontiers defined by cognitive structures. These cognitive structures organize the prioritization and assignment of tasks of each pilot during approaches. We discuss the benefits of our approach, and also discuss future work necessary to enable uncertainty quantification.

  1. A novel approach of modeling continuous dark hydrogen fermentation.

    Science.gov (United States)

    Alexandropoulou, Maria; Antonopoulou, Georgia; Lyberatos, Gerasimos

    2018-02-01

    In this study a novel modeling approach for describing fermentative hydrogen production in a continuous stirred tank reactor (CSTR) was developed, using the Aquasim modeling platform. This model accounts for the key metabolic reactions taking place in a fermentative hydrogen producing reactor, using fixed stoichiometry but different reaction rates. Biomass yields are determined based on bioenergetics. The model is capable of describing very well the variation in the distribution of metabolic products for a wide range of hydraulic retention times (HRT). The modeling approach is demonstrated using the experimental data obtained from a CSTR, fed with food industry waste (FIW), operating at different HRTs. The kinetic parameters were estimated through fitting to the experimental results. Hydrogen and total biogas production rates were predicted very well by the model, validating the basic assumptions regarding the implicated stoichiometric biochemical reactions and their kinetic rates. Copyright © 2017 Elsevier Ltd. All rights reserved.

  2. An integrated modeling approach to age invariant face recognition

    Science.gov (United States)

    Alvi, Fahad Bashir; Pears, Russel

    2015-03-01

    This Research study proposes a novel method for face recognition based on Anthropometric features that make use of an integrated approach comprising of a global and personalized models. The system is aimed to at situations where lighting, illumination, and pose variations cause problems in face recognition. A Personalized model covers the individual aging patterns while a Global model captures general aging patterns in the database. We introduced a de-aging factor that de-ages each individual in the database test and training sets. We used the k nearest neighbor approach for building a personalized model and global model. Regression analysis was applied to build the models. During the test phase, we resort to voting on different features. We used FG-Net database for checking the results of our technique and achieved 65 percent Rank 1 identification rate.

  3. Binary and ternary photofission of thorium 232

    Energy Technology Data Exchange (ETDEWEB)

    Titterton, E W; Brinkley, T A

    1950-05-01

    Work by Titterton and Goward (1949) has shown that uranium undergoes photofission into three charged fragments. Experiments have been conducted to determine whether a similar process takes place in the photofission of thorium. Some difficulties were encountered in loading plates with /sup 232/Th atoms, but this was finally accomplished by means of a technique described in detail. Plates loaded by this method were irradiated with a continuous spectrum of ..gamma.. rays of maximum energy 24 MeV from the (Atomic Energy Research Establishment) Synchrotron. Three irradiations, of 100, 150, and 180 r, were made and the resulting plates showed a fission density of 2.5 x 10/sup 4//cc at the 150 r level. In an examination involving 2500 binary photofissions, 5 cases of ternary fission involving the emission of a long range light fragment, probably an ..cap alpha..-particle, were observed. These events are described. A number-range curve was determined for the photofission tracks and is compared with a similar curve for tracks formed by the slow neutron fission of /sup 235/U in a D/sub 1/ emulsion under conditions of similar emulsion sensitivity. It appears that the energy release in the photofission of /sup 232/Th is smaller than that in the slow neutron fission of /sup 235/U. The data indicate that 124 MeV is the mean kinetic energy released in the photofission of /sup 232/Th.

  4. Anisotropy in the ternary cold fission

    CERN Document Server

    Delion, D S; Greiner, W

    2003-01-01

    We describe the spontaneous ternary cold fission of sup 2 sup 5 sup 2 Cf, accompanied by sup 4 He, sup 1 sup 0 Be and sup 1 sup 4 C within a stationary scattering formalism. We show that the light cluster should be born in the neck region. It decays from the first resonant eigenstate in the Coulomb plus harmonic oscillator potential, centred in this region and eccentric with respect to the symmetry axis. This description gives a simple answer to the question why the averaged values in the energy spectra of emitted clusters are close to each other, in spite of different Coulomb barriers. We have shown that the angular distribution of the emitted light particle is strongly connected with its deformation and the equatorial distance. Experimental angular distributions can be explained by the spherical shapes of emitted clusters, except for a deformed sup 1 sup 0 Be. We also predicted some dependences of half-lives for such tri-nuclear systems upon potential parameters.

  5. Benchmarking novel approaches for modelling species range dynamics.

    Science.gov (United States)

    Zurell, Damaris; Thuiller, Wilfried; Pagel, Jörn; Cabral, Juliano S; Münkemüller, Tamara; Gravel, Dominique; Dullinger, Stefan; Normand, Signe; Schiffers, Katja H; Moore, Kara A; Zimmermann, Niklaus E

    2016-08-01

    Increasing biodiversity loss due to climate change is one of the most vital challenges of the 21st century. To anticipate and mitigate biodiversity loss, models are needed that reliably project species' range dynamics and extinction risks. Recently, several new approaches to model range dynamics have been developed to supplement correlative species distribution models (SDMs), but applications clearly lag behind model development. Indeed, no comparative analysis has been performed to evaluate their performance. Here, we build on process-based, simulated data for benchmarking five range (dynamic) models of varying complexity including classical SDMs, SDMs coupled with simple dispersal or more complex population dynamic models (SDM hybrids), and a hierarchical Bayesian process-based dynamic range model (DRM). We specifically test the effects of demographic and community processes on model predictive performance. Under current climate, DRMs performed best, although only marginally. Under climate change, predictive performance varied considerably, with no clear winners. Yet, all range dynamic models improved predictions under climate change substantially compared to purely correlative SDMs, and the population dynamic models also predicted reasonable extinction risks for most scenarios. When benchmarking data were simulated with more complex demographic and community processes, simple SDM hybrids including only dispersal often proved most reliable. Finally, we found that structural decisions during model building can have great impact on model accuracy, but prior system knowledge on important processes can reduce these uncertainties considerably. Our results reassure the clear merit in using dynamic approaches for modelling species' response to climate change but also emphasize several needs for further model and data improvement. We propose and discuss perspectives for improving range projections through combination of multiple models and for making these approaches

  6. On a model-based approach to radiation protection

    International Nuclear Information System (INIS)

    Waligorski, M.P.R.

    2002-01-01

    There is a preoccupation with linearity and absorbed dose as the basic quantifiers of radiation hazard. An alternative is the fluence approach, whereby radiation hazard may be evaluated, at least in principle, via an appropriate action cross section. In order to compare these approaches, it may be useful to discuss them as quantitative descriptors of survival and transformation-like endpoints in cell cultures in vitro - a system thought to be relevant to modelling radiation hazard. If absorbed dose is used to quantify these biological endpoints, then non-linear dose-effect relations have to be described, and, e.g. after doses of densely ionising radiation, dose-correction factors as high as 20 are required. In the fluence approach only exponential effect-fluence relationships can be readily described. Neither approach alone exhausts the scope of experimentally observed dependencies of effect on dose or fluence. Two-component models, incorporating a suitable mixture of the two approaches, are required. An example of such a model is the cellular track structure theory developed by Katz over thirty years ago. The practical consequences of modelling radiation hazard using this mixed two-component approach are discussed. (author)

  7. Modeling gene expression measurement error: a quasi-likelihood approach

    Directory of Open Access Journals (Sweden)

    Strimmer Korbinian

    2003-03-01

    Full Text Available Abstract Background Using suitable error models for gene expression measurements is essential in the statistical analysis of microarray data. However, the true probabilistic model underlying gene expression intensity readings is generally not known. Instead, in currently used approaches some simple parametric model is assumed (usually a transformed normal distribution or the empirical distribution is estimated. However, both these strategies may not be optimal for gene expression data, as the non-parametric approach ignores known structural information whereas the fully parametric models run the risk of misspecification. A further related problem is the choice of a suitable scale for the model (e.g. observed vs. log-scale. Results Here a simple semi-parametric model for gene expression measurement error is presented. In this approach inference is based an approximate likelihood function (the extended quasi-likelihood. Only partial knowledge about the unknown true distribution is required to construct this function. In case of gene expression this information is available in the form of the postulated (e.g. quadratic variance structure of the data. As the quasi-likelihood behaves (almost like a proper likelihood, it allows for the estimation of calibration and variance parameters, and it is also straightforward to obtain corresponding approximate confidence intervals. Unlike most other frameworks, it also allows analysis on any preferred scale, i.e. both on the original linear scale as well as on a transformed scale. It can also be employed in regression approaches to model systematic (e.g. array or dye effects. Conclusions The quasi-likelihood framework provides a simple and versatile approach to analyze gene expression data that does not make any strong distributional assumptions about the underlying error model. For several simulated as well as real data sets it provides a better fit to the data than competing models. In an example it also

  8. A review of function modeling: Approaches and applications

    OpenAIRE

    Erden, M.S.; Komoto, H.; Van Beek, T.J.; D'Amelio, V.; Echavarria, E.; Tomiyama, T.

    2008-01-01

    This work is aimed at establishing a common frame and understanding of function modeling (FM) for our ongoing research activities. A comparative review of the literature is performed to grasp the various FM approaches with their commonalities and differences. The relations of FM with the research fields of artificial intelligence, design theory, and maintenance are discussed. In this discussion the goals are to highlight the features of various classical approaches in relation to FM, to delin...

  9. Top-down approach to unified supergravity models

    International Nuclear Information System (INIS)

    Hempfling, R.

    1994-03-01

    We introduce a new approach for studying unified supergravity models. In this approach all the parameters of the grand unified theory (GUT) are fixed by imposing the corresponding number of low energy observables. This determines the remaining particle spectrum whose dependence on the low energy observables can now be investigated. We also include some SUSY threshold corrections that have previously been neglected. In particular the SUSY threshold corrections to the fermion masses can have a significant impact on the Yukawa coupling unification. (orig.)

  10. Intelligent Transportation and Evacuation Planning A Modeling-Based Approach

    CERN Document Server

    Naser, Arab

    2012-01-01

    Intelligent Transportation and Evacuation Planning: A Modeling-Based Approach provides a new paradigm for evacuation planning strategies and techniques. Recently, evacuation planning and modeling have increasingly attracted interest among researchers as well as government officials. This interest stems from the recent catastrophic hurricanes and weather-related events that occurred in the southeastern United States (Hurricane Katrina and Rita). The evacuation methods that were in place before and during the hurricanes did not work well and resulted in thousands of deaths. This book offers insights into the methods and techniques that allow for implementing mathematical-based, simulation-based, and integrated optimization and simulation-based engineering approaches for evacuation planning. This book also: Comprehensively discusses the application of mathematical models for evacuation and intelligent transportation modeling Covers advanced methodologies in evacuation modeling and planning Discusses principles a...

  11. An object-oriented approach to energy-economic modeling

    Energy Technology Data Exchange (ETDEWEB)

    Wise, M.A.; Fox, J.A.; Sands, R.D.

    1993-12-01

    In this paper, the authors discuss the experiences in creating an object-oriented economic model of the U.S. energy and agriculture markets. After a discussion of some central concepts, they provide an overview of the model, focusing on the methodology of designing an object-oriented class hierarchy specification based on standard microeconomic production functions. The evolution of the model from the class definition stage to programming it in C++, a standard object-oriented programming language, will be detailed. The authors then discuss the main differences between writing the object-oriented program versus a procedure-oriented program of the same model. Finally, they conclude with a discussion of the advantages and limitations of the object-oriented approach based on the experience in building energy-economic models with procedure-oriented approaches and languages.

  12. Multi-model approach to characterize human handwriting motion.

    Science.gov (United States)

    Chihi, I; Abdelkrim, A; Benrejeb, M

    2016-02-01

    This paper deals with characterization and modelling of human handwriting motion from two forearm muscle activity signals, called electromyography signals (EMG). In this work, an experimental approach was used to record the coordinates of a pen tip moving on the (x, y) plane and EMG signals during the handwriting act. The main purpose is to design a new mathematical model which characterizes this biological process. Based on a multi-model approach, this system was originally developed to generate letters and geometric forms written by different writers. A Recursive Least Squares algorithm is used to estimate the parameters of each sub-model of the multi-model basis. Simulations show good agreement between predicted results and the recorded data.

  13. Wave Resource Characterization Using an Unstructured Grid Modeling Approach

    Directory of Open Access Journals (Sweden)

    Wei-Cheng Wu

    2018-03-01

    Full Text Available This paper presents a modeling study conducted on the central Oregon coast for wave resource characterization, using the unstructured grid Simulating WAve Nearshore (SWAN model coupled with a nested grid WAVEWATCH III® (WWIII model. The flexibility of models with various spatial resolutions and the effects of open boundary conditions simulated by a nested grid WWIII model with different physics packages were evaluated. The model results demonstrate the advantage of the unstructured grid-modeling approach for flexible model resolution and good model skills in simulating the six wave resource parameters recommended by the International Electrotechnical Commission in comparison to the observed data in Year 2009 at National Data Buoy Center Buoy 46050. Notably, spectral analysis indicates that the ST4 physics package improves upon the ST2 physics package’s ability to predict wave power density for large waves, which is important for wave resource assessment, load calculation of devices, and risk management. In addition, bivariate distributions show that the simulated sea state of maximum occurrence with the ST4 physics package matched the observed data better than with the ST2 physics package. This study demonstrated that the unstructured grid wave modeling approach, driven by regional nested grid WWIII outputs along with the ST4 physics package, can efficiently provide accurate wave hindcasts to support wave resource characterization. Our study also suggests that wind effects need to be considered if the dimension of the model domain is greater than approximately 100 km, or O (102 km.

  14. A comprehensive dynamic modeling approach for giant magnetostrictive material actuators

    International Nuclear Information System (INIS)

    Gu, Guo-Ying; Zhu, Li-Min; Li, Zhi; Su, Chun-Yi

    2013-01-01

    In this paper, a comprehensive modeling approach for a giant magnetostrictive material actuator (GMMA) is proposed based on the description of nonlinear electromagnetic behavior, the magnetostrictive effect and frequency response of the mechanical dynamics. It maps the relationships between current and magnetic flux at the electromagnetic part to force and displacement at the mechanical part in a lumped parameter form. Towards this modeling approach, the nonlinear hysteresis effect of the GMMA appearing only in the electrical part is separated from the linear dynamic plant in the mechanical part. Thus, a two-module dynamic model is developed to completely characterize the hysteresis nonlinearity and the dynamic behaviors of the GMMA. The first module is a static hysteresis model to describe the hysteresis nonlinearity, and the cascaded second module is a linear dynamic plant to represent the dynamic behavior. To validate the proposed dynamic model, an experimental platform is established. Then, the linear dynamic part and the nonlinear hysteresis part of the proposed model are identified in sequence. For the linear part, an approach based on axiomatic design theory is adopted. For the nonlinear part, a Prandtl–Ishlinskii model is introduced to describe the hysteresis nonlinearity and a constrained quadratic optimization method is utilized to identify its coefficients. Finally, experimental tests are conducted to demonstrate the effectiveness of the proposed dynamic model and the corresponding identification method. (paper)

  15. A website evaluation model by integration of previous evaluation models using a quantitative approach

    Directory of Open Access Journals (Sweden)

    Ali Moeini

    2015-01-01

    Full Text Available Regarding the ecommerce growth, websites play an essential role in business success. Therefore, many authors have offered website evaluation models since 1995. Although, the multiplicity and diversity of evaluation models make it difficult to integrate them into a single comprehensive model. In this paper a quantitative method has been used to integrate previous models into a comprehensive model that is compatible with them. In this approach the researcher judgment has no role in integration of models and the new model takes its validity from 93 previous models and systematic quantitative approach.

  16. Smeared crack modelling approach for corrosion-induced concrete damage

    DEFF Research Database (Denmark)

    Thybo, Anna Emilie Anusha; Michel, Alexander; Stang, Henrik

    2017-01-01

    In this paper a smeared crack modelling approach is used to simulate corrosion-induced damage in reinforced concrete. The presented modelling approach utilizes a thermal analogy to mimic the expansive nature of solid corrosion products, while taking into account the penetration of corrosion...... products into the surrounding concrete, non-uniform precipitation of corrosion products, and creep. To demonstrate the applicability of the presented modelling approach, numerical predictions in terms of corrosion-induced deformations as well as formation and propagation of micro- and macrocracks were......-induced damage phenomena in reinforced concrete. Moreover, good agreements were also found between experimental and numerical data for corrosion-induced deformations along the circumference of the reinforcement....

  17. A model-data based systems approach to process intensification

    DEFF Research Database (Denmark)

    Gani, Rafiqul

    . Their developments, however, are largely due to experiment based trial and error approaches and while they do not require validation, they can be time consuming and resource intensive. Also, one may ask, can a truly new intensified unit operation be obtained in this way? An alternative two-stage approach is to apply...... a model-based synthesis method to systematically generate and evaluate alternatives in the first stage and an experiment-model based validation in the second stage. In this way, the search for alternatives is done very quickly, reliably and systematically over a wide range, while resources are preserved...... for focused validation of only the promising candidates in the second-stage. This approach, however, would be limited to intensification based on “known” unit operations, unless the PI process synthesis/design is considered at a lower level of aggregation, namely the phenomena level. That is, the model-based...

  18. METHODOLOGICAL APPROACHES FOR MODELING THE RURAL SETTLEMENT DEVELOPMENT

    Directory of Open Access Journals (Sweden)

    Gorbenkova Elena Vladimirovna

    2017-10-01

    Full Text Available Subject: the paper describes the research results on validation of a rural settlement developmental model. The basic methods and approaches for solving the problem of assessment of the urban and rural settlement development efficiency are considered. Research objectives: determination of methodological approaches to modeling and creating a model for the development of rural settlements. Materials and methods: domestic and foreign experience in modeling the territorial development of urban and rural settlements and settlement structures was generalized. The motivation for using the Pentagon-model for solving similar problems was demonstrated. Based on a systematic analysis of existing development models of urban and rural settlements as well as the authors-developed method for assessing the level of agro-towns development, the systems/factors that are necessary for a rural settlement sustainable development are identified. Results: we created the rural development model which consists of five major systems that include critical factors essential for achieving a sustainable development of a settlement system: ecological system, economic system, administrative system, anthropogenic (physical system and social system (supra-structure. The methodological approaches for creating an evaluation model of rural settlements development were revealed; the basic motivating factors that provide interrelations of systems were determined; the critical factors for each subsystem were identified and substantiated. Such an approach was justified by the composition of tasks for territorial planning of the local and state administration levels. The feasibility of applying the basic Pentagon-model, which was successfully used for solving the analogous problems of sustainable development, was shown. Conclusions: the resulting model can be used for identifying and substantiating the critical factors for rural sustainable development and also become the basis of

  19. An algebraic approach to modeling in software engineering

    International Nuclear Information System (INIS)

    Loegel, C.J.; Ravishankar, C.V.

    1993-09-01

    Our work couples the formalism of universal algebras with the engineering techniques of mathematical modeling to develop a new approach to the software engineering process. Our purpose in using this combination is twofold. First, abstract data types and their specification using universal algebras can be considered a common point between the practical requirements of software engineering and the formal specification of software systems. Second, mathematical modeling principles provide us with a means for effectively analyzing real-world systems. We first use modeling techniques to analyze a system and then represent the analysis using universal algebras. The rest of the software engineering process exploits properties of universal algebras that preserve the structure of our original model. This paper describes our software engineering process and our experience using it on both research and commercial systems. We need a new approach because current software engineering practices often deliver software that is difficult to develop and maintain. Formal software engineering approaches use universal algebras to describe ''computer science'' objects like abstract data types, but in practice software errors are often caused because ''real-world'' objects are improperly modeled. There is a large semantic gap between the customer's objects and abstract data types. In contrast, mathematical modeling uses engineering techniques to construct valid models for real-world systems, but these models are often implemented in an ad hoc manner. A combination of the best features of both approaches would enable software engineering to formally specify and develop software systems that better model real systems. Software engineering, like mathematical modeling, should concern itself first and foremost with understanding a real system and its behavior under given circumstances, and then with expressing this knowledge in an executable form

  20. Ternary choices in repeated games and border collision bifurcations

    International Nuclear Information System (INIS)

    Dal Forno, Arianna; Gardini, Laura; Merlone, Ugo

    2012-01-01

    Highlights: ► We extend a model of binary choices with externalities to include more alternatives. ► Introducing one more option affects the complexity of the dynamics. ► We find bifurcation structures which where impossible to observe in binary choices. ► A ternary choice cannot simply be considered as a binary choice plus one. - Abstract: Several recent contributions formalize and analyze binary choices games with externalities as those described by Schelling. Nevertheless, in the real world choices are not always binary, and players have often to decide among more than two alternatives. These kinds of interactions are examined in game theory where, starting from the well known rock-paper-scissor game, several other kinds of strategic interactions involving more than two choices are examined. In this paper we investigate how the dynamics evolve introducing one more option in binary choice games with externalities. The dynamics we obtain are always in a stable regime, that is, the structurally stable dynamics are only attracting cycles, but of any possible positive integer as period. We show that, depending on the structure of the game, the dynamics can be quite different from those existing when considering binary choices. The bifurcation structure, due to border collisions, is explained, showing the existence of so-called big-bang bifurcation points.

  1. Symmetric and asymmetric ternary fission of hot nuclei

    International Nuclear Information System (INIS)

    Siwek-Wilczynska, K.; Wilczynski, J.; Leegte, H.K.W.; Siemssen, R.H.; Wilschut, H.W.; Grotowski, K.; Panasiewicz, A.; Sosin, Z.; Wieloch, A.

    1993-01-01

    Emission of α particles accompanying fusion-fission processes in the 40 Ar + 232 Th reaction at E( 40 Ar) = 365 MeV was studied in a wide range of in-fission-plane and out-of-plane angles. The exact determination of the emission angles of both fission fragments combined with the time-of-flight measurements allowed us to reconstruct the complete kinematics of each ternary event. The coincident energy spectra of α particles were analyzed by using predictions of the energy spectra of the statistical code CASCADE . The analysis clearly demonstrates emission from the composite system prior to fission, emission from fully accelerated fragments after fission, and also emission during scission. The analysis is presented for both symmetric and asymmetric fission. The results have been analyzed using a time-dependent statistical decay code and confronted with dynamical calculations based on a classical one-body dissipation model. The observed near-scission emission is consistent with evaporation from a dinuclear system just before scission and evaporation from separated fragments just after scission. The analysis suggests that the time scale of fission of the hot composite systems is long (about 7x10 -20 s) and the motion during the descent to scission almost completely damped

  2. Radiation-induced segregation in binary and ternary alloys

    International Nuclear Information System (INIS)

    Okamoto, P.R.; Rehn, L.E.

    1979-01-01

    A review is given of our current knowledge of radiation-induced segregation of major and minor elements in simple binary and ternary alloys as derived from experimental techniques such as Auger electron spectroscopy, secondary-ion mass spectroscopy, ion-backscattering, infrared emissivity measurements and transmission electron microscopy. Measurements of the temperature, dose and dose-rate dependences as well as of the effects of such materials variables as solute solubility, solute misfit and initial solute concentration has proved particularly valuable in understanding the mechanisms of segregation. The interpretation of these data in terms of current theoretical models which link solute segregation behavior to defect-solute binding interactions and/or to the relative diffusion rates of solute and solvent atoms the interstitial and vacancy migration mechanisms has, in general, been fairly successful and has provided considerable insight into the highly interrelated phenomena of solute-defect trapping, solute segregation, phase stability and void swelling. Specific examples in selected fcc, bcc and hcp alloy systems are discussed with particular emphasis given to the effects of radiation-induced segregation on the phase stability of single-phase and two-phase binary alloys and simple Fe-Cr-Ni alloys. (Auth.)

  3. Contribution to the aluminum-tin-zinc ternary system

    Science.gov (United States)

    Drápala, J.; Kostiuková, G.; Losertová, M.

    2017-11-01

    The Sn-Zn-Al alloys are one of significant candidates in the proposal of alternative lead-free solders for higher temperature soldering. This paper deals with the study of the aluminum-tin-zinc system. Twenty Sn-Zn-Al alloys together with six binary Sn-Zn alloys were prepared and studied experimentally. Alloys were prepared from pure Sn, Zn and Al (melting and cooling in a vacuum resistance furnace). The specimens were studied metallographically including the micro-hardness measurements, complete chemical analysis (ICP-AES, OES), X-ray micro-analysis of alloys by SEM and EDX in order to determine the composition and identification of individual phases. Significant temperatures and enthalpies of phase transformations were determined by DTA. After long-term annealing of selected alloys in vacuum followed by quenching the structural and chemical microanalyses of the present phases and their limit concentrations were carried out. The achieved results were compared with the thermodynamic modelling of the ternary Sn-Zn-Al system (computer programs THERMOCALC, MTDATA, PANDAT and databases CALPHAD, COST). Electrical resistivity, density, magnetic susceptibility and wettability of Sn-Zn-Al solders were measured as well.

  4. Towards a 3d Spatial Urban Energy Modelling Approach

    Science.gov (United States)

    Bahu, J.-M.; Koch, A.; Kremers, E.; Murshed, S. M.

    2013-09-01

    Today's needs to reduce the environmental impact of energy use impose dramatic changes for energy infrastructure and existing demand patterns (e.g. buildings) corresponding to their specific context. In addition, future energy systems are expected to integrate a considerable share of fluctuating power sources and equally a high share of distributed generation of electricity. Energy system models capable of describing such future systems and allowing the simulation of the impact of these developments thus require a spatial representation in order to reflect the local context and the boundary conditions. This paper describes two recent research approaches developed at EIFER in the fields of (a) geo-localised simulation of heat energy demand in cities based on 3D morphological data and (b) spatially explicit Agent-Based Models (ABM) for the simulation of smart grids. 3D city models were used to assess solar potential and heat energy demand of residential buildings which enable cities to target the building refurbishment potentials. Distributed energy systems require innovative modelling techniques where individual components are represented and can interact. With this approach, several smart grid demonstrators were simulated, where heterogeneous models are spatially represented. Coupling 3D geodata with energy system ABMs holds different advantages for both approaches. On one hand, energy system models can be enhanced with high resolution data from 3D city models and their semantic relations. Furthermore, they allow for spatial analysis and visualisation of the results, with emphasis on spatially and structurally correlations among the different layers (e.g. infrastructure, buildings, administrative zones) to provide an integrated approach. On the other hand, 3D models can benefit from more detailed system description of energy infrastructure, representing dynamic phenomena and high resolution models for energy use at component level. The proposed modelling strategies

  5. Modelling of ductile and cleavage fracture by local approach

    International Nuclear Information System (INIS)

    Samal, M.K.; Dutta, B.K.; Kushwaha, H.S.

    2000-08-01

    This report describes the modelling of ductile and cleavage fracture processes by local approach. It is now well known that the conventional fracture mechanics method based on single parameter criteria is not adequate to model the fracture processes. It is because of the existence of effect of size and geometry of flaw, loading type and rate on the fracture resistance behaviour of any structure. Hence, it is questionable to use same fracture resistance curves as determined from standard tests in the analysis of real life components because of existence of all the above effects. So, there is need to have a method in which the parameters used for the analysis will be true material properties, i.e. independent of geometry and size. One of the solutions to the above problem is the use of local approaches. These approaches have been extensively studied and applied to different materials (including SA33 Gr.6) in this report. Each method has been studied and reported in a separate section. This report has been divided into five sections. Section-I gives a brief review of the fundamentals of fracture process. Section-II deals with modelling of ductile fracture by locally uncoupled type of models. In this section, the critical cavity growth parameters of the different models have been determined for the primary heat transport (PHT) piping material of Indian pressurised heavy water reactor (PHWR). A comparative study has been done among different models. The dependency of the critical parameters on stress triaxiality factor has also been studied. It is observed that Rice and Tracey's model is the most suitable one. But, its parameters are not fully independent of triaxiality factor. For this purpose, a modification to Rice and Tracery's model is suggested in Section-III. Section-IV deals with modelling of ductile fracture process by locally coupled type of models. Section-V deals with the modelling of cleavage fracture process by Beremins model, which is based on Weibulls

  6. Atomistic approach for modeling metal-semiconductor interfaces

    DEFF Research Database (Denmark)

    Stradi, Daniele; Martinez, Umberto; Blom, Anders

    2016-01-01

    realistic metal-semiconductor interfaces and allows for a direct comparison between theory and experiments via the I–V curve. In particular, it will be demonstrated how doping — and bias — modifies the Schottky barrier, and how finite size models (the slab approach) are unable to describe these interfaces......We present a general framework for simulating interfaces using an atomistic approach based on density functional theory and non-equilibrium Green's functions. The method includes all the relevant ingredients, such as doping and an accurate value of the semiconductor band gap, required to model...

  7. Special quasirandom structures for binary/ternary group IV random alloys

    KAUST Repository

    Chroneos, Alexander I.

    2010-06-01

    Simulation of defect interactions in binary/ternary group IV semiconductor alloys at the density functional theory level is difficult due to the random distribution of the constituent atoms. The special quasirandom structures approach is a computationally efficient way to describe the random nature. We systematically study the efficacy of the methodology and generate a number of special quasirandom cells for future use. In order to demonstrate the applicability of the technique, the electronic structures of E centers in Si1-xGex and Si1-x -yGexSny alloys are discussed for a range of nearest neighbor environments. © 2010 Elsevier B.V. All rights reserved.

  8. Constitution of the ternary system Cr–Ni–Ti

    International Nuclear Information System (INIS)

    Krendelsberger, Natalja; Weitzer, Franz; Du, Yong; Schuster, Julius C.

    2013-01-01

    Highlights: •Reaction scheme and liquidus surface for Cr-Ni-Ti are given. •In the ternary the C14-type Laves phase coexists with the liquid phase. •Two ternary eutectics are identified. -- Abstract: The nature of solid–liquid phase equilibria in the ternary system Cr–Ni–Ti was investigated using electron microscopy, energy dispersive spectroscopy, X-ray diffraction, and differential thermal analysis. Literature data on solid state phase equilibria are confirmed. The Cr 2 Ti Laves phase modifications coexisting with Ni–Ti phases are clarified to be hexagonal C14-type and cubic C15-type. The C14-type Laves phase γCr 2 Ti is found to coexist with the liquid phase. It forms in the pseudobinary peritectic reaction p max1 from L + β(Cr,Ti) at 1389 °C. On further cooling γCr 2 Ti + NiTi solidify at 1202 °C in the pseudobinary eutectic e max2 . In the Cr-rich part of the system ternary eutectics occur at 1216 °C (E 1 : L = Ni 3 Ti + (Ni) + β(Cr,Ti)) and 1100 °C (E 2 : L = NiTi + Ni 3 Ti + β(Cr,Ti)), respectively. No ternary eutectic is found in the Ti-rich part. Rather the eutectic trough ends in the binary eutectic L = NiTi 2 + β(Ti)

  9. Ternary fission of spontaneously fissile uranium isomers excited by neutrons

    International Nuclear Information System (INIS)

    Makarenko, V.E.; Molchanov, Y.D.; Otroshchenko, G.A.; Yan'kov, G.B.

    1989-01-01

    Spontaneously fissile isomers (SFI) of uranium were excited in the reactions 236,238 U(n,n') at an average neutron energy 4.5 MeV. A pulsed electrostatic accelerator and time analysis of the fission events were used. Fission fragments were detected by the scintillation method, and long-range particles from fission were detected by an ionization method. The relative probability of fission of nuclei through a spontaneously fissile isomeric state was measured: (1.30±0.01)·10 -4 ( 236 U) and (1.48±0.02)·10 -4 ( 238 U). Half-lives of the isomers were determined: 121±2 nsec (the SFI 236 U) and 267±13 nsec (the SFI 238 U). In study of the ternary fission of spontaneously fissile isotopes of uranium it was established that the probability of the process amounts to one ternary fission per 163±44 binary fissions of the SFI 236 U and one ternary fission per 49±14 binary fissions of the SFI 238 U. The substantial increase of the probability of ternary fission of SFI of uranium in comparison with the case of ternary fission of nuclei which are not in an isomeric state may be related to a special nucleon configuration of the fissile isomers of uranium

  10. Correlation and prediction of mixing thermodynamic properties of ester-containing systems: Ester + alkane and ester + ester binary systems and the ternary dodecane + ethyl pentanoate + ethyl ethanoate

    International Nuclear Information System (INIS)

    Pérez, Noelia; Fernández, Luís; Ortega, Juan; Toledo, Francisco J.; Wisniak, Jaime

    2012-01-01

    Highlights: ► Excess enthalpies and volumes were measured for ester–ester–alkane. ► Mixing behaviour for ester–ester, ester–alkane and ester–ester–alkane are analyzed. ► Correlations with a new polynomial model reproduce well the mixing properties. ► UNIFAC predictions for h E result acceptable excluding the ester–ester mixtures. - Abstract: Excess thermodynamic properties V m E and H m E , have been measured for the ternary mixture dodecane + ethyl pentanoate + ethyl ethanoate and for the corresponding binaries dodecane + ethyl pentanoate, dodecane + ethyl ethanoate, ethyl pentanoate + ethyl ethanoate at 298.15 K. All mixtures show endothermic and expansive effects. Experimental results are correlated with a suitable equation whose final form for the excess ternary quantity M E contains the particular contributions of the three binaries (i–j) and a last term corresponding to the ternary, all of them obtained considering fourth-order interactions. The fit goodness for all mixtures is good and comparable to others equations taken from the literature. In this work the dissolution model for the binaries and ternary is analyzed with a special attention to ester–ester binaries whose behaviour is discussed. The application of the UNIFAC group contribution model to estimate the H m E yields acceptable results for the binaries (with the exception of ester–ester) and for the ternary mixture.

  11. Systems and context modeling approach to requirements analysis

    Science.gov (United States)

    Ahuja, Amrit; Muralikrishna, G.; Patwari, Puneet; Subhrojyoti, C.; Swaminathan, N.; Vin, Harrick

    2014-08-01

    Ensuring completeness and correctness of the requirements for a complex system such as the SKA is challenging. Current system engineering practice includes developing a stakeholder needs definition, a concept of operations, and defining system requirements in terms of use cases and requirements statements. We present a method that enhances this current practice into a collection of system models with mutual consistency relationships. These include stakeholder goals, needs definition and system-of-interest models, together with a context model that participates in the consistency relationships among these models. We illustrate this approach by using it to analyze the SKA system requirements.

  12. An approach to multiscale modelling with graph grammars.

    Science.gov (United States)

    Ong, Yongzhi; Streit, Katarína; Henke, Michael; Kurth, Winfried

    2014-09-01

    Functional-structural plant models (FSPMs) simulate biological processes at different spatial scales. Methods exist for multiscale data representation and modification, but the advantages of using multiple scales in the dynamic aspects of FSPMs remain unclear. Results from multiscale models in various other areas of science that share fundamental modelling issues with FSPMs suggest that potential advantages do exist, and this study therefore aims to introduce an approach to multiscale modelling in FSPMs. A three-part graph data structure and grammar is revisited, and presented with a conceptual framework for multiscale modelling. The framework is used for identifying roles, categorizing and describing scale-to-scale interactions, thus allowing alternative approaches to model development as opposed to correlation-based modelling at a single scale. Reverse information flow (from macro- to micro-scale) is catered for in the framework. The methods are implemented within the programming language XL. Three example models are implemented using the proposed multiscale graph model and framework. The first illustrates the fundamental usage of the graph data structure and grammar, the second uses probabilistic modelling for organs at the fine scale in order to derive crown growth, and the third combines multiscale plant topology with ozone trends and metabolic network simulations in order to model juvenile beech stands under exposure to a toxic trace gas. The graph data structure supports data representation and grammar operations at multiple scales. The results demonstrate that multiscale modelling is a viable method in FSPM and an alternative to correlation-based modelling. Advantages and disadvantages of multiscale modelling are illustrated by comparisons with single-scale implementations, leading to motivations for further research in sensitivity analysis and run-time efficiency for these models.

  13. A robust quantitative near infrared modeling approach for blend monitoring.

    Science.gov (United States)

    Mohan, Shikhar; Momose, Wataru; Katz, Jeffrey M; Hossain, Md Nayeem; Velez, Natasha; Drennen, James K; Anderson, Carl A

    2018-01-30

    This study demonstrates a material sparing Near-Infrared modeling approach for powder blend monitoring. In this new approach, gram scale powder mixtures are subjected to compression loads to simulate the effect of scale using an Instron universal testing system. Models prepared by the new method development approach (small-scale method) and by a traditional method development (blender-scale method) were compared by simultaneously monitoring a 1kg batch size blend run. Both models demonstrated similar model performance. The small-scale method strategy significantly reduces the total resources expended to develop Near-Infrared calibration models for on-line blend monitoring. Further, this development approach does not require the actual equipment (i.e., blender) to which the method will be applied, only a similar optical interface. Thus, a robust on-line blend monitoring method can be fully developed before any large-scale blending experiment is viable, allowing the blend method to be used during scale-up and blend development trials. Copyright © 2017. Published by Elsevier B.V.

  14. Deep Appearance Models: A Deep Boltzmann Machine Approach for Face Modeling

    OpenAIRE

    Duong, Chi Nhan; Luu, Khoa; Quach, Kha Gia; Bui, Tien D.

    2016-01-01

    The "interpretation through synthesis" approach to analyze face images, particularly Active Appearance Models (AAMs) method, has become one of the most successful face modeling approaches over the last two decades. AAM models have ability to represent face images through synthesis using a controllable parameterized Principal Component Analysis (PCA) model. However, the accuracy and robustness of the synthesized faces of AAM are highly depended on the training sets and inherently on the genera...

  15. Technical note: Comparison of methane ebullition modelling approaches used in terrestrial wetland models

    Science.gov (United States)

    Peltola, Olli; Raivonen, Maarit; Li, Xuefei; Vesala, Timo

    2018-02-01

    Emission via bubbling, i.e. ebullition, is one of the main methane (CH4) emission pathways from wetlands to the atmosphere. Direct measurement of gas bubble formation, growth and release in the peat-water matrix is challenging and in consequence these processes are relatively unknown and are coarsely represented in current wetland CH4 emission models. In this study we aimed to evaluate three ebullition modelling approaches and their effect on model performance. This was achieved by implementing the three approaches in one process-based CH4 emission model. All the approaches were based on some kind of threshold: either on CH4 pore water concentration (ECT), pressure (EPT) or free-phase gas volume (EBG) threshold. The model was run using 4 years of data from a boreal sedge fen and the results were compared with eddy covariance measurements of CH4 fluxes.Modelled annual CH4 emissions were largely unaffected by the different ebullition modelling approaches; however, temporal variability in CH4 emissions varied an order of magnitude between the approaches. Hence the ebullition modelling approach drives the temporal variability in modelled CH4 emissions and therefore significantly impacts, for instance, high-frequency (daily scale) model comparison and calibration against measurements. The modelling approach based on the most recent knowledge of the ebullition process (volume threshold, EBG) agreed the best with the measured fluxes (R2 = 0.63) and hence produced the most reasonable results, although there was a scale mismatch between the measurements (ecosystem scale with heterogeneous ebullition locations) and model results (single horizontally homogeneous peat column). The approach should be favoured over the two other more widely used ebullition modelling approaches and researchers are encouraged to implement it into their CH4 emission models.

  16. Software sensors based on the grey-box modelling approach

    DEFF Research Database (Denmark)

    Carstensen, J.; Harremoës, P.; Strube, Rune

    1996-01-01

    In recent years the grey-box modelling approach has been applied to wastewater transportation and treatment Grey-box models are characterized by the combination of deterministic and stochastic terms to form a model where all the parameters are statistically identifiable from the on......-box model for the specific dynamics is identified. Similarly, an on-line software sensor for detecting the occurrence of backwater phenomena can be developed by comparing the dynamics of a flow measurement with a nearby level measurement. For treatment plants it is found that grey-box models applied to on......-line measurements. With respect to the development of software sensors, the grey-box models possess two important features. Firstly, the on-line measurements can be filtered according to the grey-box model in order to remove noise deriving from the measuring equipment and controlling devices. Secondly, the grey...

  17. Bianchi VI0 and III models: self-similar approach

    International Nuclear Information System (INIS)

    Belinchon, Jose Antonio

    2009-01-01

    We study several cosmological models with Bianchi VI 0 and III symmetries under the self-similar approach. We find new solutions for the 'classical' perfect fluid model as well as for the vacuum model although they are really restrictive for the equation of state. We also study a perfect fluid model with time-varying constants, G and Λ. As in other studied models we find that the behaviour of G and Λ are related. If G behaves as a growing time function then Λ is a positive decreasing time function but if G is decreasing then Λ 0 is negative. We end by studying a massive cosmic string model, putting special emphasis in calculating the numerical values of the equations of state. We show that there is no SS solution for a string model with time-varying constants.

  18. Environmental Radiation Effects on Mammals A Dynamical Modeling Approach

    CERN Document Server

    Smirnova, Olga A

    2010-01-01

    This text is devoted to the theoretical studies of radiation effects on mammals. It uses the framework of developed deterministic mathematical models to investigate the effects of both acute and chronic irradiation in a wide range of doses and dose rates on vital body systems including hematopoiesis, small intestine and humoral immunity, as well as on the development of autoimmune diseases. Thus, these models can contribute to the development of the system and quantitative approaches in radiation biology and ecology. This text is also of practical use. Its modeling studies of the dynamics of granulocytopoiesis and thrombocytopoiesis in humans testify to the efficiency of employment of the developed models in the investigation and prediction of radiation effects on these hematopoietic lines. These models, as well as the properly identified models of other vital body systems, could provide a better understanding of the radiation risks to health. The modeling predictions will enable the implementation of more ef...

  19. A new approach to Naturalness in SUSY models

    CERN Document Server

    Ghilencea, D M

    2013-01-01

    We review recent results that provide a new approach to the old problem of naturalness in supersymmetric models, without relying on subjective definitions for the fine-tuning associated with {\\it fixing} the EW scale (to its measured value) in the presence of quantum corrections. The approach can address in a model-independent way many questions related to this problem. The results show that naturalness and its measure (fine-tuning) are an intrinsic part of the likelihood to fit the data that {\\it includes} the EW scale. One important consequence is that the additional {\\it constraint} of fixing the EW scale, usually not imposed in the data fits of the models, impacts on their overall likelihood to fit the data (or chi^2/ndf, ndf: number of degrees of freedom). This has negative implications for the viability of currently popular supersymmetric extensions of the Standard Model.

  20. Model selection and inference a practical information-theoretic approach

    CERN Document Server

    Burnham, Kenneth P

    1998-01-01

    This book is unique in that it covers the philosophy of model-based data analysis and an omnibus strategy for the analysis of empirical data The book introduces information theoretic approaches and focuses critical attention on a priori modeling and the selection of a good approximating model that best represents the inference supported by the data Kullback-Leibler information represents a fundamental quantity in science and is Hirotugu Akaike's basis for model selection The maximized log-likelihood function can be bias-corrected to provide an estimate of expected, relative Kullback-Leibler information This leads to Akaike's Information Criterion (AIC) and various extensions and these are relatively simple and easy to use in practice, but little taught in statistics classes and far less understood in the applied sciences than should be the case The information theoretic approaches provide a unified and rigorous theory, an extension of likelihood theory, an important application of information theory, and are ...

  1. Merits of a Scenario Approach in Dredge Plume Modelling

    DEFF Research Database (Denmark)

    Pedersen, Claus; Chu, Amy Ling Chu; Hjelmager Jensen, Jacob

    2011-01-01

    Dredge plume modelling is a key tool for quantification of potential impacts to inform the EIA process. There are, however, significant uncertainties associated with the modelling at the EIA stage when both dredging methodology and schedule are likely to be a guess at best as the dredging...... contractor would rarely have been appointed. Simulation of a few variations of an assumed full dredge period programme will generally not provide a good representation of the overall environmental risks associated with the programme. An alternative dredge plume modelling strategy that attempts to encapsulate...... uncertainties associated with preliminary dredging programmes by using a scenario-based modelling approach is presented. The approach establishes a set of representative and conservative scenarios for key factors controlling the spill and plume dispersion and simulates all combinations of e.g. dredge, climatic...

  2. Regularization of quantum gravity in the matrix model approach

    International Nuclear Information System (INIS)

    Ueda, Haruhiko

    1991-02-01

    We study divergence problem of the partition function in the matrix model approach for two-dimensional quantum gravity. We propose a new model V(φ) = 1/2Trφ 2 + g 4 /NTrφ 4 + g'/N 4 Tr(φ 4 ) 2 and show that in the sphere case it has no divergence problem and the critical exponent is of pure gravity. (author)

  3. PASSENGER TRAFFIC MOVEMENT MODELLING BY THE CELLULAR-AUTOMAT APPROACH

    Directory of Open Access Journals (Sweden)

    T. Mikhaylovskaya

    2009-01-01

    Full Text Available The mathematical model of passenger traffic movement developed on the basis of the cellular-automat approach is considered. The program realization of the cellular-automat model of pedastrians streams movement in pedestrian subways at presence of obstacles, at subway structure narrowing is presented. The optimum distances between the obstacles and the angle of subway structure narrowing providing pedastrians stream safe movement and traffic congestion occurance are determined.

  4. Ternary systems Sr-{Ni,Cu}-Si: Phase equilibria and crystal structure of ternary phases

    International Nuclear Information System (INIS)

    Nasir, Navida; Melnychenko-Koblyuk, Nataliya; Grytsiv, Andriy; Rogl, Peter; Giester, Gerald; Wosik, Jaroslaw; Nauer, Gerhard E.

    2010-01-01

    Phase relations were established in the Sr-poor part of the ternary systems Sr-Ni-Si (900 deg. C) and Sr-Cu-Si (800 deg. C) by light optical microscopy, electron probe microanalysis and X-ray diffraction on as cast and annealed alloys. Two new ternary compounds SrNiSi 3 (BaNiSn 3 -type) and SrNi 9-x Si 4+x (own-type) were found in the Sr-Ni-Si system along with previously reported Sr(Ni x Si 1-x ) 2 (AlB 2 -type). The crystal structure of SrNi 9-x Si 4+x (own-type, x=2.7, a=0.78998(3), c=1.1337(2) nm; space group P4/nbm) was determined from X-ray single crystal counter to be a low symmetry derivative of the cubic, parent NaZn 13 -type. At higher Si-content X-ray Rietveld refinements reveal the formation of a vacant site (□) corresponding to a formula SrNi 5.5 Si 6.5 □ 1.0 . Phase equilibria in the Sr-Cu-Si system are characterized by the compounds SrCu 2-x Si 2+x (ThCr 2 Si 2 -type), Sr(Cu x Si 1-x ) 2 (AlB 2 -type), SrCu 9-x Si 4+x (0≤x≤1.0; CeNi 8.5 Si 4.5 -type) and SrCu 13-x Si x (4≤x≤1.8; NaZn 13 -type). The latter two structure types appear within a continuous solid solution. Neither a type-I nor a type-IX clathrate compound was encountered in the Sr-{Cu,Ni}-Si systems. Structural details are furthermore given for about 14 new ternary compounds from related alloy systems with Ba. - Graphical abstract: The crystal structure of SrNi 9-x Si 4+x (own-type, x=2.7, a=0.78998(3), c=1.1337(2) nm; space group P4/nbm) was determined from X-ray single crystal counter to be a low symmetry derivative of the cubic, parent NaZn 13 -type and is related to CeNi 8.5 Si 4.5 -type.

  5. The Generalised Ecosystem Modelling Approach in Radiological Assessment

    International Nuclear Information System (INIS)

    Klos, Richard

    2008-03-01

    An independent modelling capability is required by SSI in order to evaluate dose assessments carried out in Sweden by, amongst others, SKB. The main focus is the evaluation of the long-term radiological safety of radioactive waste repositories for both spent fuel and low-level radioactive waste. To meet the requirement for an independent modelling tool for use in biosphere dose assessments, SSI through its modelling team CLIMB commissioned the development of a new model in 2004, a project to produce an integrated model of radionuclides in the landscape. The generalised ecosystem modelling approach (GEMA) is the result. GEMA is a modular system of compartments representing the surface environment. It can be configured, through water and solid material fluxes, to represent local details in the range of ecosystem types found in the past, present and future Swedish landscapes. The approach is generic but fine tuning can be carried out using local details of the surface drainage system. The modular nature of the modelling approach means that GEMA modules can be linked to represent large scale surface drainage features over an extended domain in the landscape. System change can also be managed in GEMA, allowing a flexible and comprehensive model of the evolving landscape to be constructed. Environmental concentrations of radionuclides can be calculated and the GEMA dose pathway model provides a means of evaluating the radiological impact of radionuclide release to the surface environment. This document sets out the philosophy and details of GEMA and illustrates the functioning of the model with a range of examples featuring the recent CLIMB review of SKB's SR-Can assessment

  6. The Generalised Ecosystem Modelling Approach in Radiological Assessment

    Energy Technology Data Exchange (ETDEWEB)

    Klos, Richard

    2008-03-15

    An independent modelling capability is required by SSI in order to evaluate dose assessments carried out in Sweden by, amongst others, SKB. The main focus is the evaluation of the long-term radiological safety of radioactive waste repositories for both spent fuel and low-level radioactive waste. To meet the requirement for an independent modelling tool for use in biosphere dose assessments, SSI through its modelling team CLIMB commissioned the development of a new model in 2004, a project to produce an integrated model of radionuclides in the landscape. The generalised ecosystem modelling approach (GEMA) is the result. GEMA is a modular system of compartments representing the surface environment. It can be configured, through water and solid material fluxes, to represent local details in the range of ecosystem types found in the past, present and future Swedish landscapes. The approach is generic but fine tuning can be carried out using local details of the surface drainage system. The modular nature of the modelling approach means that GEMA modules can be linked to represent large scale surface drainage features over an extended domain in the landscape. System change can also be managed in GEMA, allowing a flexible and comprehensive model of the evolving landscape to be constructed. Environmental concentrations of radionuclides can be calculated and the GEMA dose pathway model provides a means of evaluating the radiological impact of radionuclide release to the surface environment. This document sets out the philosophy and details of GEMA and illustrates the functioning of the model with a range of examples featuring the recent CLIMB review of SKB's SR-Can assessment

  7. Reduced modeling of signal transduction – a modular approach

    Directory of Open Access Journals (Sweden)

    Ederer Michael

    2007-09-01

    Full Text Available Abstract Background Combinatorial complexity is a challenging problem in detailed and mechanistic mathematical modeling of signal transduction. This subject has been discussed intensively and a lot of progress has been made within the last few years. A software tool (BioNetGen was developed which allows an automatic rule-based set-up of mechanistic model equations. In many cases these models can be reduced by an exact domain-oriented lumping technique. However, the resulting models can still consist of a very large number of differential equations. Results We introduce a new reduction technique, which allows building modularized and highly reduced models. Compared to existing approaches further reduction of signal transduction networks is possible. The method also provides a new modularization criterion, which allows to dissect the model into smaller modules that are called layers and can be modeled independently. Hallmarks of the approach are conservation relations within each layer and connection of layers by signal flows instead of mass flows. The reduced model can be formulated directly without previous generation of detailed model equations. It can be understood and interpreted intuitively, as model variables are macroscopic quantities that are converted by rates following simple kinetics. The proposed technique is applicable without using complex mathematical tools and even without detailed knowledge of the mathematical background. However, we provide a detailed mathematical analysis to show performance and limitations of the method. For physiologically relevant parameter domains the transient as well as the stationary errors caused by the reduction are negligible. Conclusion The new layer based reduced modeling method allows building modularized and strongly reduced models of signal transduction networks. Reduced model equations can be directly formulated and are intuitively interpretable. Additionally, the method provides very good

  8. Collective and tracer diffusion kinetics in the ternary random alloy

    International Nuclear Information System (INIS)

    Belova, I.V.; Murch, G.E.; Allnatt, A.R.

    2002-01-01

    In this study, collective and tracer diffusion kinetics is addressed for the ternary random alloy. A formal solution from the self-consistent theory of Moleko et al (Moleko L K, Allnatt A R and Allnatt E L 1989 Phil. Mag. A 59 141) is derived for collective diffusion and compared with the corresponding solution for the binary random alloy. Tracer diffusion in the ternary alloy is treated from the perspective of a special case of the quaternary random alloy. Results from Monte Carlo calculations for tracer and collective correlation factors (for the bcc ternary random alloy) are found to be in excellent agreement with this self-consistent theory but in only semi-quantitative agreement with the earlier theory of Manning (Manning J R 1971 Phys. Rev. B 4 1111). (author)

  9. Constitutional studies of the molybdenum-ruthenium-palladium ternary system

    International Nuclear Information System (INIS)

    Cornish, L.A.; Pratt, J.N.

    1997-01-01

    An experimental and computational study has been made of phase equilibria in the Mo-Ru-Pd ternary system. The constitution of annealed binary and ternary alloys was investigated using optical and electron microscopy, X-ray diffraction and SEM phase analysis techniques. Limited thermodynamic measurements were made using the ZrO 2 solid electrolyte e.m.f. method. The data obtained from the various techniques were used to construct a ternary isothermal section at 1473 K. The experimentally determined section is compared with a calculated section for the same temperature, computed using thermodynamic coefficients derived solely from binary system information. Lattice parameters are reported for the b.c.c., f.c.c. and c.p.h. solid solutions and for the σ phase. (orig.)

  10. Thermal decomposition of cesium-ethylene-ternary graphite intercalation compounds

    International Nuclear Information System (INIS)

    Matsumoto, R.; Oishi, Y.; Arii, T.

    2010-01-01

    In this paper, the thermal decomposition of air-stable Cs-ethylene-ternary graphite intercalation compounds (GICs) is discussed. The air stability of Cs-GICs is improved remarkably after the absorption of ethylene into their interlayer nanospace, because the ethylene molecules oligomerize and block the movement of Cs atoms. In addition, the evaporation of Cs atoms from the Cs-ethylene-ternary GICs is observed above 400 o C under a N 2 atmosphere of 100 Pa by ion attachment mass spectrometry. Although the results indicate that Cs-ethylene-ternary GICs remain stable up to approximately 400 o C, their thermal stability is not very high as compared to that of Cs-GICs.

  11. The partially alternating ternary sum in an associative dialgebra

    International Nuclear Information System (INIS)

    Bremner, Murray R; Sanchez-Ortega, Juana

    2010-01-01

    The alternating ternary sum in an associative algebra, abc - acb - bac + bca + cab - cba, gives rise to the partially alternating ternary sum in an associative dialgebra with products dashv and vdash by making the argument a the center of each term. We use computer algebra to determine the polynomial identities in degree ≤9 satisfied by this new trilinear operation. In degrees 3 and 5, these identities define a new variety of partially alternating ternary algebras. We show that there is a 49-dimensional space of multilinear identities in degree 7, and we find equivalent nonlinear identities. We use the representation theory of the symmetric group to show that there are no new identities in degree 9.

  12. New ternary hydride formation in U-Ti-H system

    International Nuclear Information System (INIS)

    Yamamoto, Takuya; Kayano, Hideo; Yamawaki, Michio.

    1991-01-01

    Hydrogen absorption properties of two titanium-rich uranium alloys, UTi 2 and UTi 4 , were studied in order to prepare and identify the recently found ternary hydride. They slowly reacted with hydrogen of the initial pressure of 10 5 Pa at 873K to form the ternary hydride. The hydrogenated specimen mainly consisted of the pursued ternary hydride but contained also U(or UO 2 ), TiH x , and some transient phases. X-ray powder diffraction and Electron Probe Micro Analysis proved that it was the UTi 2 H x with the expected MgCu 2 structure, though all the X-ray peaks were broad probably because of inhomogeneity. This compound had extremely high resistance to powdering on its formation, which showed high potential utilities for a non-powdering tritium storage system or for other purposes. (author)

  13. A nonlinear complementarity approach for the national energy modeling system

    International Nuclear Information System (INIS)

    Gabriel, S.A.; Kydes, A.S.

    1995-01-01

    The National Energy Modeling System (NEMS) is a large-scale mathematical model that computes equilibrium fuel prices and quantities in the U.S. energy sector. At present, to generate these equilibrium values, NEMS sequentially solves a collection of linear programs and nonlinear equations. The NEMS solution procedure then incorporates the solutions of these linear programs and nonlinear equations in a nonlinear Gauss-Seidel approach. The authors describe how the current version of NEMS can be formulated as a particular nonlinear complementarity problem (NCP), thereby possibly avoiding current convergence problems. In addition, they show that the NCP format is equally valid for a more general form of NEMS. They also describe several promising approaches for solving the NCP form of NEMS based on recent Newton type methods for general NCPs. These approaches share the feature of needing to solve their direction-finding subproblems only approximately. Hence, they can effectively exploit the sparsity inherent in the NEMS NCP

  14. Non-frontal Model Based Approach to Forensic Face Recognition

    NARCIS (Netherlands)

    Dutta, A.; Veldhuis, Raymond N.J.; Spreeuwers, Lieuwe Jan

    2012-01-01

    In this paper, we propose a non-frontal model based approach which ensures that a face recognition system always gets to compare images having similar view (or pose). This requires a virtual suspect reference set that consists of non-frontal suspect images having pose similar to the surveillance

  15. A Behavioral Decision Making Modeling Approach Towards Hedging Services

    NARCIS (Netherlands)

    Pennings, J.M.E.; Candel, M.J.J.M.; Egelkraut, T.M.

    2003-01-01

    This paper takes a behavioral approach toward the market for hedging services. A behavioral decision-making model is developed that provides insight into how and why owner-managers decide the way they do regarding hedging services. Insight into those choice processes reveals information needed by

  16. Export of microplastics from land to sea. A modelling approach

    NARCIS (Netherlands)

    Siegfried, Max; Koelmans, A.A.; Besseling, E.; Kroeze, C.

    2017-01-01

    Quantifying the transport of plastic debris from river to sea is crucial for assessing the risks of plastic debris to human health and the environment. We present a global modelling approach to analyse the composition and quantity of point-source microplastic fluxes from European rivers to the sea.

  17. The Bipolar Approach: A Model for Interdisciplinary Art History Courses.

    Science.gov (United States)

    Calabrese, John A.

    1993-01-01

    Describes a college level art history course based on the opposing concepts of Classicism and Romanticism. Contends that all creative work, such as film or architecture, can be categorized according to this bipolar model. Includes suggestions for objects to study and recommends this approach for art education at all education levels. (CFR)

  18. Teaching Modeling with Partial Differential Equations: Several Successful Approaches

    Science.gov (United States)

    Myers, Joseph; Trubatch, David; Winkel, Brian

    2008-01-01

    We discuss the introduction and teaching of partial differential equations (heat and wave equations) via modeling physical phenomena, using a new approach that encompasses constructing difference equations and implementing these in a spreadsheet, numerically solving the partial differential equations using the numerical differential equation…

  19. A review of function modeling : Approaches and applications

    NARCIS (Netherlands)

    Erden, M.S.; Komoto, H.; Van Beek, T.J.; D'Amelio, V.; Echavarria, E.; Tomiyama, T.

    2008-01-01

    This work is aimed at establishing a common frame and understanding of function modeling (FM) for our ongoing research activities. A comparative review of the literature is performed to grasp the various FM approaches with their commonalities and differences. The relations of FM with the research

  20. A novel Monte Carlo approach to hybrid local volatility models

    NARCIS (Netherlands)

    A.W. van der Stoep (Anton); L.A. Grzelak (Lech Aleksander); C.W. Oosterlee (Cornelis)

    2017-01-01

    textabstractWe present in a Monte Carlo simulation framework, a novel approach for the evaluation of hybrid local volatility [Risk, 1994, 7, 18–20], [Int. J. Theor. Appl. Finance, 1998, 1, 61–110] models. In particular, we consider the stochastic local volatility model—see e.g. Lipton et al. [Quant.

  1. Model-independent approach for dark matter phenomenology

    Indian Academy of Sciences (India)

    We have studied the phenomenology of dark matter at the ILC and cosmic positron experiments based on model-independent approach. We have found a strong correlation between dark matter signatures at the ILC and those in the indirect detection experiments of dark matter. Once the dark matter is discovered in the ...

  2. Model-independent approach for dark matter phenomenology ...

    Indian Academy of Sciences (India)

    Abstract. We have studied the phenomenology of dark matter at the ILC and cosmic positron experiments based on model-independent approach. We have found a strong correlation between dark matter signatures at the ILC and those in the indirect detec- tion experiments of dark matter. Once the dark matter is discovered ...

  3. The variational approach to the Glashow-Weinberg-Salam model

    International Nuclear Information System (INIS)

    Manka, R.; Sladkowski, J.

    1987-01-01

    The variational approach to the Glashow-Weinberg-Salam model, based on canonical quantization, is presented. It is shown that taking into consideration the Becchi-Rouet-Stora symmetry leads to the correct, temperature-dependent, effective potential. This generalization of the Weinberg-Coleman potential leads to a phase transition of the first kind

  4. Methodological Approach for Modeling of Multienzyme in-pot Processes

    DEFF Research Database (Denmark)

    Andrade Santacoloma, Paloma de Gracia; Roman Martinez, Alicia; Sin, Gürkan

    2011-01-01

    This paper presents a methodological approach for modeling multi-enzyme in-pot processes. The methodology is exemplified stepwise through the bi-enzymatic production of N-acetyl-D-neuraminic acid (Neu5Ac) from N-acetyl-D-glucosamine (GlcNAc). In this case study, sensitivity analysis is also used ...

  5. An Approach to Quality Estimation in Model-Based Development

    DEFF Research Database (Denmark)

    Holmegaard, Jens Peter; Koch, Peter; Ravn, Anders Peter

    2004-01-01

    We present an approach to estimation of parameters for design space exploration in Model-Based Development, where synthesis of a system is done in two stages. Component qualities like space, execution time or power consumption are defined in a repository by platform dependent values. Connectors...

  6. EXTENDE MODEL OF COMPETITIVITY THROUG APPLICATION OF NEW APPROACH DIRECTIVES

    Directory of Open Access Journals (Sweden)

    Slavko Arsovski

    2009-03-01

    Full Text Available The basic subject of this work is the model of new approach impact on quality and safety products, and competency of our companies. This work represents real hypothesis on the basis of expert's experiences, in regard to that the infrastructure with using new approach directives wasn't examined until now, it isn't known which product or industry of Serbia is related to directives of the new approach and CE mark, and it is not known which are effects of the use of the CE mark. This work should indicate existing quality reserves and product's safety, the level of possible competency improvement and increasing the profit by discharging new approach directive requires.

  7. Equilibrium phase diagram of the Ag-Au-Pb ternary system

    International Nuclear Information System (INIS)

    Hassam, S.; Bahari, Z.

    2005-01-01

    The phase diagram of the ternary system Ag-Au-Pb has been established using differential thermal analysis and X-ray powder diffraction analysis. Four vertical sections were studied: X Pb = 0.40, X Au /X Pb = 1/3, X Ag /X Au = 4/1 and X Ag /X Au = 1/1. Two ternary transitory peritectics and one ternary eutectic were characterized. A schematic representation of the ternary equilibria is given

  8. Setting conservation management thresholds using a novel participatory modeling approach.

    Science.gov (United States)

    Addison, P F E; de Bie, K; Rumpff, L

    2015-10-01

    We devised a participatory modeling approach for setting management thresholds that show when management intervention is required to address undesirable ecosystem changes. This approach was designed to be used when management thresholds: must be set for environmental indicators in the face of multiple competing objectives; need to incorporate scientific understanding and value judgments; and will be set by participants with limited modeling experience. We applied our approach to a case study where management thresholds were set for a mat-forming brown alga, Hormosira banksii, in a protected area management context. Participants, including management staff and scientists, were involved in a workshop to test the approach, and set management thresholds to address the threat of trampling by visitors to an intertidal rocky reef. The approach involved trading off the environmental objective, to maintain the condition of intertidal reef communities, with social and economic objectives to ensure management intervention was cost-effective. Ecological scenarios, developed using scenario planning, were a key feature that provided the foundation for where to set management thresholds. The scenarios developed represented declines in percent cover of H. banksii that may occur under increased threatening processes. Participants defined 4 discrete management alternatives to address the threat of trampling and estimated the effect of these alternatives on the objectives under each ecological scenario. A weighted additive model was used to aggregate participants' consequence estimates. Model outputs (decision scores) clearly expressed uncertainty, which can be considered by decision makers and used to inform where to set management thresholds. This approach encourages a proactive form of conservation, where management thresholds and associated actions are defined a priori for ecological indicators, rather than reacting to unexpected ecosystem changes in the future. © 2015 The

  9. Accurate phenotyping: Reconciling approaches through Bayesian model averaging.

    Directory of Open Access Journals (Sweden)

    Carla Chia-Ming Chen

    Full Text Available Genetic research into complex diseases is frequently hindered by a lack of clear biomarkers for phenotype ascertainment. Phenotypes for such diseases are often identified on the basis of clinically defined criteria; however such criteria may not be suitable for understanding the genetic composition of the diseases. Various statistical approaches have been proposed for phenotype definition; however our previous studies have shown that differences in phenotypes estimated using different approaches have substantial impact on subsequent analyses. Instead of obtaining results based upon a single model, we propose a new method, using Bayesian model averaging to overcome problems associated with phenotype definition. Although Bayesian model averaging has been used in other fields of research, this is the first study that uses Bayesian model averaging to reconcile phenotypes obtained using multiple models. We illustrate the new method by applying it to simulated genetic and phenotypic data for Kofendred personality disorder-an imaginary disease with several sub-types. Two separate statistical methods were used to identify clusters of individuals with distinct phenotypes: latent class analysis and grade of membership. Bayesian model averaging was then used to combine the two clusterings for the purpose of subsequent linkage analyses. We found that causative genetic loci for the disease produced higher LOD scores using model averaging than under either individual model separately. We attribute this improvement to consolidation of the cores of phenotype clusters identified using each individual method.

  10. An Alternative Approach to the Extended Drude Model

    Science.gov (United States)

    Gantzler, N. J.; Dordevic, S. V.

    2018-05-01

    The original Drude model, proposed over a hundred years ago, is still used today for the analysis of optical properties of solids. Within this model, both the plasma frequency and quasiparticle scattering rate are constant, which makes the model rather inflexible. In order to circumvent this problem, the so-called extended Drude model was proposed, which allowed for the frequency dependence of both the quasiparticle scattering rate and the effective mass. In this work we will explore an alternative approach to the extended Drude model. Here, one also assumes that the quasiparticle scattering rate is frequency dependent; however, instead of the effective mass, the plasma frequency becomes frequency-dependent. This alternative model is applied to the high Tc superconductor Bi2Sr2CaCu2O8+δ (Bi2212) with Tc = 92 K, and the results are compared and contrasted with the ones obtained from the conventional extended Drude model. The results point to several advantages of this alternative approach to the extended Drude model.

  11. Multiphysics modeling using COMSOL a first principles approach

    CERN Document Server

    Pryor, Roger W

    2011-01-01

    Multiphysics Modeling Using COMSOL rapidly introduces the senior level undergraduate, graduate or professional scientist or engineer to the art and science of computerized modeling for physical systems and devices. It offers a step-by-step modeling methodology through examples that are linked to the Fundamental Laws of Physics through a First Principles Analysis approach. The text explores a breadth of multiphysics models in coordinate systems that range from 1D to 3D and introduces the readers to the numerical analysis modeling techniques employed in the COMSOL Multiphysics software. After readers have built and run the examples, they will have a much firmer understanding of the concepts, skills, and benefits acquired from the use of computerized modeling techniques to solve their current technological problems and to explore new areas of application for their particular technological areas of interest.

  12. Evaluation of Workflow Management Systems - A Meta Model Approach

    Directory of Open Access Journals (Sweden)

    Michael Rosemann

    1998-11-01

    Full Text Available The automated enactment of processes through the use of workflow management systems enables the outsourcing of the control flow from application systems. By now a large number of systems, that follow different workflow paradigms, are available. This leads to the problem of selecting the appropriate workflow management system for a given situation. In this paper we outline the benefits of a meta model approach for the evaluation and comparison of different workflow management systems. After a general introduction on the topic of meta modeling the meta models of the workflow management systems WorkParty (Siemens Nixdorf and FlowMark (IBM are compared as an example. These product specific meta models can be generalized to meta reference models, which helps to specify a workflow methodology. Exemplary, an organisational reference meta model is presented, which helps users in specifying their requirements for a workflow management system.

  13. Generalised additive modelling approach to the fermentation process of glutamate.

    Science.gov (United States)

    Liu, Chun-Bo; Li, Yun; Pan, Feng; Shi, Zhong-Ping

    2011-03-01

    In this work, generalised additive models (GAMs) were used for the first time to model the fermentation of glutamate (Glu). It was found that three fermentation parameters fermentation time (T), dissolved oxygen (DO) and oxygen uptake rate (OUR) could capture 97% variance of the production of Glu during the fermentation process through a GAM model calibrated using online data from 15 fermentation experiments. This model was applied to investigate the individual and combined effects of T, DO and OUR on the production of Glu. The conditions to optimize the fermentation process were proposed based on the simulation study from this model. Results suggested that the production of Glu can reach a high level by controlling concentration levels of DO and OUR to the proposed optimization conditions during the fermentation process. The GAM approach therefore provides an alternative way to model and optimize the fermentation process of Glu. Crown Copyright © 2010. Published by Elsevier Ltd. All rights reserved.

  14. Validation of Slosh Modeling Approach Using STAR-CCM+

    Science.gov (United States)

    Benson, David J.; Ng, Wanyi

    2018-01-01

    Without an adequate understanding of propellant slosh, the spacecraft attitude control system may be inadequate to control the spacecraft or there may be an unexpected loss of science observation time due to higher slosh settling times. Computational fluid dynamics (CFD) is used to model propellant slosh. STAR-CCM+ is a commercially available CFD code. This paper seeks to validate the CFD modeling approach via a comparison between STAR-CCM+ liquid slosh modeling results and experimental, empirically, and analytically derived results. The geometries examined are a bare right cylinder tank and a right cylinder with a single ring baffle.

  15. A novel ternary logic circuit using Josephson junction

    International Nuclear Information System (INIS)

    Morisue, M.; Oochi, K.; Nishizawa, M.

    1989-01-01

    This paper describes a novel Josephson complementary ternary logic circuit named as JCTL. This fundamental circuit is constructed by combination of two SQUIDs, one of which is switched in the positive direction and the other in the negative direction. The JCTL can perform the fundamental operations of AND, OR, NOT and Double NOT in ternary form. The principle of the operation and design criteria are described in detail. The results of the simulation show that the reliable operations of these circuits can be achieved with a high performance

  16. PM1 steganographic algorithm using ternary Hamming Code

    Directory of Open Access Journals (Sweden)

    Kamil Kaczyński

    2015-12-01

    Full Text Available PM1 algorithm is a modification of well-known LSB steganographic algorithm. It has increased resistance to selected steganalytic attacks and increased embedding efficiency. Due to its uniqueness, PM1 algorithm allows us to use of larger alphabet of symbols, making it possible to further increase steganographic capacity. In this paper, we present the modified PM1 algorithm which utilizies so-called syndrome coding and ternary Hamming code. The modified algorithm has increased embedding efficiency, which means fewer changes introduced to carrier and increased capacity.[b]Keywords[/b]: steganography, linear codes, PM1, LSB, ternary Hamming code

  17. Feedback structure based entropy approach for multiple-model estimation

    Institute of Scientific and Technical Information of China (English)

    Shen-tu Han; Xue Anke; Guo Yunfei

    2013-01-01

    The variable-structure multiple-model (VSMM) approach, one of the multiple-model (MM) methods, is a popular and effective approach in handling problems with mode uncertainties. The model sequence set adaptation (MSA) is the key to design a better VSMM. However, MSA methods in the literature have big room to improve both theoretically and practically. To this end, we propose a feedback structure based entropy approach that could find the model sequence sets with the smallest size under certain conditions. The filtered data are fed back in real time and can be used by the minimum entropy (ME) based VSMM algorithms, i.e., MEVSMM. Firstly, the full Markov chains are used to achieve optimal solutions. Secondly, the myopic method together with particle filter (PF) and the challenge match algorithm are also used to achieve sub-optimal solutions, a trade-off between practicability and optimality. The numerical results show that the proposed algorithm provides not only refined model sets but also a good robustness margin and very high accuracy.

  18. Polynomial Chaos Expansion Approach to Interest Rate Models

    Directory of Open Access Journals (Sweden)

    Luca Di Persio

    2015-01-01

    Full Text Available The Polynomial Chaos Expansion (PCE technique allows us to recover a finite second-order random variable exploiting suitable linear combinations of orthogonal polynomials which are functions of a given stochastic quantity ξ, hence acting as a kind of random basis. The PCE methodology has been developed as a mathematically rigorous Uncertainty Quantification (UQ method which aims at providing reliable numerical estimates for some uncertain physical quantities defining the dynamic of certain engineering models and their related simulations. In the present paper, we use the PCE approach in order to analyze some equity and interest rate models. In particular, we take into consideration those models which are based on, for example, the Geometric Brownian Motion, the Vasicek model, and the CIR model. We present theoretical as well as related concrete numerical approximation results considering, without loss of generality, the one-dimensional case. We also provide both an efficiency study and an accuracy study of our approach by comparing its outputs with the ones obtained adopting the Monte Carlo approach, both in its standard and its enhanced version.

  19. Popularity Modeling for Mobile Apps: A Sequential Approach.

    Science.gov (United States)

    Zhu, Hengshu; Liu, Chuanren; Ge, Yong; Xiong, Hui; Chen, Enhong

    2015-07-01

    The popularity information in App stores, such as chart rankings, user ratings, and user reviews, provides an unprecedented opportunity to understand user experiences with mobile Apps, learn the process of adoption of mobile Apps, and thus enables better mobile App services. While the importance of popularity information is well recognized in the literature, the use of the popularity information for mobile App services is still fragmented and under-explored. To this end, in this paper, we propose a sequential approach based on hidden Markov model (HMM) for modeling the popularity information of mobile Apps toward mobile App services. Specifically, we first propose a popularity based HMM (PHMM) to model the sequences of the heterogeneous popularity observations of mobile Apps. Then, we introduce a bipartite based method to precluster the popularity observations. This can help to learn the parameters and initial values of the PHMM efficiently. Furthermore, we demonstrate that the PHMM is a general model and can be applicable for various mobile App services, such as trend based App recommendation, rating and review spam detection, and ranking fraud detection. Finally, we validate our approach on two real-world data sets collected from the Apple Appstore. Experimental results clearly validate both the effectiveness and efficiency of the proposed popularity modeling approach.

  20. Common modelling approaches for training simulators for nuclear power plants

    International Nuclear Information System (INIS)

    1990-02-01

    Training simulators for nuclear power plant operating staff have gained increasing importance over the last twenty years. One of the recommendations of the 1983 IAEA Specialists' Meeting on Nuclear Power Plant Training Simulators in Helsinki was to organize a Co-ordinated Research Programme (CRP) on some aspects of training simulators. The goal statement was: ''To establish and maintain a common approach to modelling for nuclear training simulators based on defined training requirements''. Before adapting this goal statement, the participants considered many alternatives for defining the common aspects of training simulator models, such as the programming language used, the nature of the simulator computer system, the size of the simulation computers, the scope of simulation. The participants agreed that it was the training requirements that defined the need for a simulator, the scope of models and hence the type of computer complex that was required, the criteria for fidelity and verification, and was therefore the most appropriate basis for the commonality of modelling approaches. It should be noted that the Co-ordinated Research Programme was restricted, for a variety of reasons, to consider only a few aspects of training simulators. This report reflects these limitations, and covers only the topics considered within the scope of the programme. The information in this document is intended as an aid for operating organizations to identify possible modelling approaches for training simulators for nuclear power plants. 33 refs

  1. Binary and ternary carbides and nitrides of the transition metals and their phase relations

    International Nuclear Information System (INIS)

    Holleck, H.

    1981-01-01

    The occurrance and the structure of the binary and ternary transition metal carbides and nitrides are described. Phase diagrams are assessed for most of the binary and ternary systems. Many ternary phase diagrams are published in this report for the first time. (orig.) [de

  2. An approach to ductile fracture resistance modelling in pipeline steels

    Energy Technology Data Exchange (ETDEWEB)

    Pussegoda, L.N.; Fredj, A. [BMT Fleet Technology Ltd., Kanata (Canada)

    2009-07-01

    Ductile fracture resistance studies of high grade steels in the pipeline industry often included analyses of the crack tip opening angle (CTOA) parameter using 3-point bend steel specimens. The CTOA is a function of specimen ligament size in high grade materials. Other resistance measurements may include steady state fracture propagation energy, critical fracture strain, and the adoption of damage mechanisms. Modelling approaches for crack propagation were discussed in this abstract. Tension tests were used to calibrate damage model parameters. Results from the tests were then applied to the crack propagation in a 3-point bend specimen using modern 1980 vintage steels. Limitations and approaches to overcome the difficulties associated with crack propagation modelling were discussed.

  3. High dimensions - a new approach to fermionic lattice models

    International Nuclear Information System (INIS)

    Vollhardt, D.

    1991-01-01

    The limit of high spatial dimensions d, which is well-established in the theory of classical and localized spin models, is shown to be a fruitful approach also to itinerant fermion systems, such as the Hubbard model and the periodic Anderson model. Many investigations which are probability difficult in finite dimensions, become tractable in d=∞. At the same time essential features of systems in d=3 and even lower dimensions are very well described by the results obtained in d=∞. A wide range of applications of this new concept (e.g., in perturbation theory, Fermi liquid theory, variational approaches, exact results, etc.) is discussed and the state-of-the-art is reviewed. (orig.)

  4. A fuzzy approach for modelling radionuclide in lake system

    International Nuclear Information System (INIS)

    Desai, H.K.; Christian, R.A.; Banerjee, J.; Patra, A.K.

    2013-01-01

    Radioactive liquid waste is generated during operation and maintenance of Pressurised Heavy Water Reactors (PHWRs). Generally low level liquid waste is diluted and then discharged into the near by water-body through blowdown water discharge line as per the standard waste management practice. The effluents from nuclear installations are treated adequately and then released in a controlled manner under strict compliance of discharge criteria. An attempt was made to predict the concentration of 3 H released from Kakrapar Atomic Power Station at Ratania Regulator, about 2.5 km away from the discharge point, where human exposure is expected. Scarcity of data and complex geometry of the lake prompted the use of Heuristic approach. Under this condition, Fuzzy rule based approach was adopted to develop a model, which could predict 3 H concentration at Ratania Regulator. Three hundred data were generated for developing the fuzzy rules, in which input parameters were water flow from lake and 3 H concentration at discharge point. The Output was 3 H concentration at Ratania Regulator. These data points were generated by multiple regression analysis of the original data. Again by using same methodology hundred data were generated for the validation of the model, which were compared against the predicted output generated by using Fuzzy Rule based approach. Root Mean Square Error of the model came out to be 1.95, which showed good agreement by Fuzzy model of natural ecosystem. -- Highlights: • Uncommon approach (Fuzzy Rule Base) of modelling radionuclide dispersion in Lake. • Predicts 3 H released from Kakrapar Atomic Power Station at a point of human exposure. • RMSE of fuzzy model is 1.95, which means, it has well imitated natural ecosystem

  5. Modeling energy fluxes in heterogeneous landscapes employing a mosaic approach

    Science.gov (United States)

    Klein, Christian; Thieme, Christoph; Priesack, Eckart

    2015-04-01

    Recent studies show that uncertainties in regional and global climate and weather simulations are partly due to inadequate descriptions of the energy flux exchanges between the land surface and the atmosphere. One major shortcoming is the limitation of the grid-cell resolution, which is recommended to be about at least 3x3 km² in most models due to limitations in the model physics. To represent each individual grid cell most models select one dominant soil type and one dominant land use type. This resolution, however, is often too coarse in regions where the spatial diversity of soil and land use types are high, e.g. in Central Europe. An elegant method to avoid the shortcoming of grid cell resolution is the so called mosaic approach. This approach is part of the recently developed ecosystem model framework Expert-N 5.0. The aim of this study was to analyze the impact of the characteristics of two managed fields, planted with winter wheat and potato, on the near surface soil moistures and on the near surface energy flux exchanges of the soil-plant-atmosphere interface. The simulated energy fluxes were compared with eddy flux tower measurements between the respective fields at the research farm Scheyern, North-West of Munich, Germany. To perform these simulations, we coupled the ecosystem model Expert-N 5.0 to an analytical footprint model. The coupled model system has the ability to calculate the mixing ratio of the surface energy fluxes at a given point within one grid cell (in this case at the flux tower between the two fields). This approach accounts for the differences of the two soil types, of land use managements, and of canopy properties due to footprint size dynamics. Our preliminary simulation results show that a mosaic approach can improve modeling and analyzing energy fluxes when the land surface is heterogeneous. In this case our applied method is a promising approach to extend weather and climate models on the regional and on the global scale.

  6. A global sensitivity analysis approach for morphogenesis models

    KAUST Repository

    Boas, Sonja E. M.

    2015-11-21

    Background Morphogenesis is a developmental process in which cells organize into shapes and patterns. Complex, non-linear and multi-factorial models with images as output are commonly used to study morphogenesis. It is difficult to understand the relation between the uncertainty in the input and the output of such ‘black-box’ models, giving rise to the need for sensitivity analysis tools. In this paper, we introduce a workflow for a global sensitivity analysis approach to study the impact of single parameters and the interactions between them on the output of morphogenesis models. Results To demonstrate the workflow, we used a published, well-studied model of vascular morphogenesis. The parameters of this cellular Potts model (CPM) represent cell properties and behaviors that drive the mechanisms of angiogenic sprouting. The global sensitivity analysis correctly identified the dominant parameters in the model, consistent with previous studies. Additionally, the analysis provided information on the relative impact of single parameters and of interactions between them. This is very relevant because interactions of parameters impede the experimental verification of the predicted effect of single parameters. The parameter interactions, although of low impact, provided also new insights in the mechanisms of in silico sprouting. Finally, the analysis indicated that the model could be reduced by one parameter. Conclusions We propose global sensitivity analysis as an alternative approach to study the mechanisms of morphogenesis. Comparison of the ranking of the impact of the model parameters to knowledge derived from experimental data and from manipulation experiments can help to falsify models and to find the operand mechanisms in morphogenesis. The workflow is applicable to all ‘black-box’ models, including high-throughput in vitro models in which output measures are affected by a set of experimental perturbations.

  7. A global sensitivity analysis approach for morphogenesis models.

    Science.gov (United States)

    Boas, Sonja E M; Navarro Jimenez, Maria I; Merks, Roeland M H; Blom, Joke G

    2015-11-21

    Morphogenesis is a developmental process in which cells organize into shapes and patterns. Complex, non-linear and multi-factorial models with images as output are commonly used to study morphogenesis. It is difficult to understand the relation between the uncertainty in the input and the output of such 'black-box' models, giving rise to the need for sensitivity analysis tools. In this paper, we introduce a workflow for a global sensitivity analysis approach to study the impact of single parameters and the interactions between them on the output of morphogenesis models. To demonstrate the workflow, we used a published, well-studied model of vascular morphogenesis. The parameters of this cellular Potts model (CPM) represent cell properties and behaviors that drive the mechanisms of angiogenic sprouting. The global sensitivity analysis correctly identified the dominant parameters in the model, consistent with previous studies. Additionally, the analysis provided information on the relative impact of single parameters and of interactions between them. This is very relevant because interactions of parameters impede the experimental verification of the predicted effect of single parameters. The parameter interactions, although of low impact, provided also new insights in the mechanisms of in silico sprouting. Finally, the analysis indicated that the model could be reduced by one parameter. We propose global sensitivity analysis as an alternative approach to study the mechanisms of morphogenesis. Comparison of the ranking of the impact of the model parameters to knowledge derived from experimental data and from manipulation experiments can help to falsify models and to find the operand mechanisms in morphogenesis. The workflow is applicable to all 'black-box' models, including high-throughput in vitro models in which output measures are affected by a set of experimental perturbations.

  8. Towards a CPN-Based Modelling Approach for Reconciling Verification and Implementation of Protocol Models

    DEFF Research Database (Denmark)

    Simonsen, Kent Inge; Kristensen, Lars Michael

    2013-01-01

    Formal modelling of protocols is often aimed at one specific purpose such as verification or automatically generating an implementation. This leads to models that are useful for one purpose, but not for others. Being able to derive models for verification and implementation from a single model...... is beneficial both in terms of reduced total modelling effort and confidence that the verification results are valid also for the implementation model. In this paper we introduce the concept of a descriptive specification model and an approach based on refining a descriptive model to target both verification...... how this model can be refined to target both verification and implementation....

  9. Unraveling the Mechanisms of Manual Therapy: Modeling an Approach.

    Science.gov (United States)

    Bialosky, Joel E; Beneciuk, Jason M; Bishop, Mark D; Coronado, Rogelio A; Penza, Charles W; Simon, Corey B; George, Steven Z

    2018-01-01

    Synopsis Manual therapy interventions are popular among individual health care providers and their patients; however, systematic reviews do not strongly support their effectiveness. Small treatment effect sizes of manual therapy interventions may result from a "one-size-fits-all" approach to treatment. Mechanistic-based treatment approaches to manual therapy offer an intriguing alternative for identifying patients likely to respond to manual therapy. However, the current lack of knowledge of the mechanisms through which manual therapy interventions inhibit pain limits such an approach. The nature of manual therapy interventions further confounds such an approach, as the related mechanisms are likely a complex interaction of factors related to the patient, the provider, and the environment in which the intervention occurs. Therefore, a model to guide both study design and the interpretation of findings is necessary. We have previously proposed a model suggesting that the mechanical force from a manual therapy intervention results in systemic neurophysiological responses leading to pain inhibition. In this clinical commentary, we provide a narrative appraisal of the model and recommendations to advance the study of manual therapy mechanisms. J Orthop Sports Phys Ther 2018;48(1):8-18. doi:10.2519/jospt.2018.7476.

  10. (Liquid + liquid) equilibria for ternary mixtures of (water + propionic acid + organic solvent) at T = 303.2 K

    International Nuclear Information System (INIS)

    Ghanadzadeh, H.; Ghanadzadeh Gilani, A.; Bahrpaima, Kh.; Sariri, R.

    2010-01-01

    Experimental tie-line results and phase diagrams were obtained for the ternary systems of {water + propionic acid + organic solvent (cyclohexane, toluene, and methylcyclohexane)} at T = 303.2 K and atmospheric pressure. The organic solvents were two cycloaliphatic hydrocarbons (i.e., cyclohexane and methylcyclohexane) and an aromatic hydrocarbon (toluene). The experimental tie-lines values were also compared with those calculated by the UNIQUAC and NRTL models. The consistency of the values of the experimental tie-lines was determined through the Othmer-Tobias and Hands plots. Distribution coefficients and separation factors were evaluated over the immiscibility regions and a comparison of the extracting capabilities of the solvents was made with respect to distribution coefficients and separation factors. The Kamlet LSER model was applied to correlate distribution coefficients and separation factors in these ternary systems. The LSER model values showed a good regression to the experimental results.

  11. Implementation of Reseptive Esteemy Approach Model in Learning Reading Literature

    Directory of Open Access Journals (Sweden)

    Titin Nurhayatin

    2017-03-01

    Full Text Available Research on the implementation of aesthetic model of receptive aesthetic approach in learning to read the literature on the background of the low quality of results and learning process of Indonesian language, especially the study of literature. Students as prospective teachers of Indonesian language are expected to have the ability to speak, have literature, and their learning in a balanced manner in accordance with the curriculum demands. This study examines the effectiveness, quality, acceptability, and sustainability of the aesthetic approach of receptions in improving students' literary skills. Based on these problems, this study is expected to produce a learning model that contributes high in improving the quality of results and the process of learning literature. This research was conducted on the students of Language Education Program, Indonesian Literature and Regional FKIP Pasundan University. The research method used is experiment with randomized type pretest-posttest control group design. Based on preliminary and final test data obtained in the experimental class the average preliminary test was 55.86 and the average final test was 76.75. From the preliminary test data in the control class the average score was 55.07 and the average final test was 68.76. These data suggest that there is a greater increase in grades in the experimental class using the aesthetic approach of the reception compared with the increase in values in the control class using a conventional approach. The results show that the aesthetic approach of receptions is more effective than the conventional approach in literary reading. Based on observations, acceptance, and views of sustainability, the aesthetic approach of receptions in literary learning is expected to be an alternative and solution in overcoming the problems of literary learning and improving the quality of Indonesian learning outcomes and learning process.

  12. Polynomial fuzzy model-based approach for underactuated surface vessels

    DEFF Research Database (Denmark)

    Khooban, Mohammad Hassan; Vafamand, Navid; Dragicevic, Tomislav

    2018-01-01

    The main goal of this study is to introduce a new polynomial fuzzy model-based structure for a class of marine systems with non-linear and polynomial dynamics. The suggested technique relies on a polynomial Takagi–Sugeno (T–S) fuzzy modelling, a polynomial dynamic parallel distributed compensation...... surface vessel (USV). Additionally, in order to overcome the USV control challenges, including the USV un-modelled dynamics, complex nonlinear dynamics, external disturbances and parameter uncertainties, the polynomial fuzzy model representation is adopted. Moreover, the USV-based control structure...... and a sum-of-squares (SOS) decomposition. The new proposed approach is a generalisation of the standard T–S fuzzy models and linear matrix inequality which indicated its effectiveness in decreasing the tracking time and increasing the efficiency of the robust tracking control problem for an underactuated...

  13. Bayesian approach to errors-in-variables in regression models

    Science.gov (United States)

    Rozliman, Nur Aainaa; Ibrahim, Adriana Irawati Nur; Yunus, Rossita Mohammad

    2017-05-01

    In many applications and experiments, data sets are often contaminated with error or mismeasured covariates. When at least one of the covariates in a model is measured with error, Errors-in-Variables (EIV) model can be used. Measurement error, when not corrected, would cause misleading statistical inferences and analysis. Therefore, our goal is to examine the relationship of the outcome variable and the unobserved exposure variable given the observed mismeasured surrogate by applying the Bayesian formulation to the EIV model. We shall extend the flexible parametric method proposed by Hossain and Gustafson (2009) to another nonlinear regression model which is the Poisson regression model. We shall then illustrate the application of this approach via a simulation study using Markov chain Monte Carlo sampling methods.

  14. A hidden Markov model approach to neuron firing patterns.

    Science.gov (United States)

    Camproux, A C; Saunier, F; Chouvet, G; Thalabard, J C; Thomas, G

    1996-11-01

    Analysis and characterization of neuronal discharge patterns are of interest to neurophysiologists and neuropharmacologists. In this paper we present a hidden Markov model approach to modeling single neuron electrical activity. Basically the model assumes that each interspike interval corresponds to one of several possible states of the neuron. Fitting the model to experimental series of interspike intervals by maximum likelihood allows estimation of the number of possible underlying neuron states, the probability density functions of interspike intervals corresponding to each state, and the transition probabilities between states. We present an application to the analysis of recordings of a locus coeruleus neuron under three pharmacological conditions. The model distinguishes two states during halothane anesthesia and during recovery from halothane anesthesia, and four states after administration of clonidine. The transition probabilities yield additional insights into the mechanisms of neuron firing.

  15. Prediction of the Flash Point of Binary and Ternary Straight-Chain Alkane Mixtures

    Directory of Open Access Journals (Sweden)

    X. Li

    2014-01-01

    Full Text Available The flash point is an important physical property used to estimate the fire hazard of a flammable liquid. To avoid the occurrence of fire or explosion, many models are used to predict the flash point; however, these models are complex, and the calculation process is cumbersome. For pure flammable substances, the research for predicting the flash point is systematic and comprehensive. For multicomponent mixtures, especially a hydrocarbon mixture, the current research is insufficient to predict the flash point. In this study, a model was developed to predict the flash point of straight-chain alkane mixtures using a simple calculation process. The pressure, activity coefficient, and other associated physicochemical parameters are not required for the calculation in the proposed model. A series of flash points of binary and ternary mixtures of straight-chain alkanes were determined. The results of the model present consistent experimental results with an average absolute deviation for the binary mixtures of 0.7% or lower and an average absolute deviation for the ternary mixtures of 1.03% or lower.

  16. Practical modeling approaches for geological storage of carbon dioxide.

    Science.gov (United States)

    Celia, Michael A; Nordbotten, Jan M

    2009-01-01

    The relentless increase of anthropogenic carbon dioxide emissions and the associated concerns about climate change have motivated new ideas about carbon-constrained energy production. One technological approach to control carbon dioxide emissions is carbon capture and storage, or CCS. The underlying idea of CCS is to capture the carbon before it emitted to the atmosphere and store it somewhere other than the atmosphere. Currently, the most attractive option for large-scale storage is in deep geological formations, including deep saline aquifers. Many physical and chemical processes can affect the fate of the injected CO2, with the overall mathematical description of the complete system becoming very complex. Our approach to the problem has been to reduce complexity as much as possible, so that we can focus on the few truly important questions about the injected CO2, most of which involve leakage out of the injection formation. Toward this end, we have established a set of simplifying assumptions that allow us to derive simplified models, which can be solved numerically or, for the most simplified cases, analytically. These simplified models allow calculation of solutions to large-scale injection and leakage problems in ways that traditional multicomponent multiphase simulators cannot. Such simplified models provide important tools for system analysis, screening calculations, and overall risk-assessment calculations. We believe this is a practical and important approach to model geological storage of carbon dioxide. It also serves as an example of how complex systems can be simplified while retaining the essential physics of the problem.

  17. A fuzzy approach for modelling radionuclide in lake system.

    Science.gov (United States)

    Desai, H K; Christian, R A; Banerjee, J; Patra, A K

    2013-10-01

    Radioactive liquid waste is generated during operation and maintenance of Pressurised Heavy Water Reactors (PHWRs). Generally low level liquid waste is diluted and then discharged into the near by water-body through blowdown water discharge line as per the standard waste management practice. The effluents from nuclear installations are treated adequately and then released in a controlled manner under strict compliance of discharge criteria. An attempt was made to predict the concentration of (3)H released from Kakrapar Atomic Power Station at Ratania Regulator, about 2.5 km away from the discharge point, where human exposure is expected. Scarcity of data and complex geometry of the lake prompted the use of Heuristic approach. Under this condition, Fuzzy rule based approach was adopted to develop a model, which could predict (3)H concentration at Ratania Regulator. Three hundred data were generated for developing the fuzzy rules, in which input parameters were water flow from lake and (3)H concentration at discharge point. The Output was (3)H concentration at Ratania Regulator. These data points were generated by multiple regression analysis of the original data. Again by using same methodology hundred data were generated for the validation of the model, which were compared against the predicted output generated by using Fuzzy Rule based approach. Root Mean Square Error of the model came out to be 1.95, which showed good agreement by Fuzzy model of natural ecosystem. Copyright © 2013 Elsevier Ltd. All rights reserved.

  18. The Establishment, Plotting and Statistic– Mathematical Interpretation of the Liquidus Surface from the Phase Equilibrium Diagram of the Ternary System Al-Cu-Si

    Directory of Open Access Journals (Sweden)

    Florentina A. Cziple

    2006-10-01

    Full Text Available The paper forwards the conclusions of a survey performed on a mathematical model of the phase equilibrium from the ternary system Al-Cu-Si. The author presents the calculus of the statistic equation of the liquidus surface model from this diagram, the plotting and statistical-mathematical interpretation of the results obtained.

  19. Anthropomorphic Coding of Speech and Audio: A Model Inversion Approach

    Directory of Open Access Journals (Sweden)

    W. Bastiaan Kleijn

    2005-06-01

    Full Text Available Auditory modeling is a well-established methodology that provides insight into human perception and that facilitates the extraction of signal features that are most relevant to the listener. The aim of this paper is to provide a tutorial on perceptual speech and audio coding using an invertible auditory model. In this approach, the audio signal is converted into an auditory representation using an invertible auditory model. The auditory representation is quantized and coded. Upon decoding, it is then transformed back into the acoustic domain. This transformation converts a complex distortion criterion into a simple one, thus facilitating quantization with low complexity. We briefly review past work on auditory models and describe in more detail the components of our invertible model and its inversion procedure, that is, the method to reconstruct the signal from the output of the auditory model. We summarize attempts to use the auditory representation for low-bit-rate coding. Our approach also allows the exploitation of the inherent redundancy of the human auditory system for the purpose of multiple description (joint source-channel coding.

  20. A modal approach to modeling spatially distributed vibration energy dissipation.

    Energy Technology Data Exchange (ETDEWEB)

    Segalman, Daniel Joseph

    2010-08-01

    The nonlinear behavior of mechanical joints is a confounding element in modeling the dynamic response of structures. Though there has been some progress in recent years in modeling individual joints, modeling the full structure with myriad frictional interfaces has remained an obstinate challenge. A strategy is suggested for structural dynamics modeling that can account for the combined effect of interface friction distributed spatially about the structure. This approach accommodates the following observations: (1) At small to modest amplitudes, the nonlinearity of jointed structures is manifest primarily in the energy dissipation - visible as vibration damping; (2) Correspondingly, measured vibration modes do not change significantly with amplitude; and (3) Significant coupling among the modes does not appear to result at modest amplitudes. The mathematical approach presented here postulates the preservation of linear modes and invests all the nonlinearity in the evolution of the modal coordinates. The constitutive form selected is one that works well in modeling spatially discrete joints. When compared against a mathematical truth model, the distributed dissipation approximation performs well.