Data-based robust multiobjective optimization of interconnected processes: energy efficiency case study in papermaking.

Reducing energy consumption is a major challenge for "energy-intensive" industries such as papermaking. A commercially viable energy saving solution is to employ data-based optimization techniques to obtain a set of "optimized" operational settings that satisfy certain performance indices. The difficulties of this are: 1) the problems of this type are inherently multicriteria in the sense that improving one performance index might result in compromising the other important measures; 2) practical systems often exhibit unknown complex dynamics and several interconnections which make the modeling task difficult; and 3) as the models are acquired from the existing historical data, they are valid only locally and extrapolations incorporate risk of increasing process variability. To overcome these difficulties, this paper presents a new decision support system for robust multiobjective optimization of interconnected processes. The plant is first divided into serially connected units to model the process, product quality, energy consumption, and corresponding uncertainty measures. Then multiobjective gradient descent algorithm is used to solve the problem in line with user's preference information. Finally, the optimization results are visualized for analysis and decision making. In practice, if further iterations of the optimization algorithm are considered, validity of the local models must be checked prior to proceeding to further iterations. The method is implemented by a MATLAB-based interactive tool DataExplorer supporting a range of data analysis, modeling, and multiobjective optimization techniques. The proposed approach was tested in two U.K.-based commercial paper mills where the aim was reducing steam consumption and increasing productivity while maintaining the product quality by optimization of vacuum pressures in forming and press sections. The experimental results demonstrate the effectiveness of the method.

Data-based robust multiobjective optimization of interconnected processes: Energy efficiency case study in papermaking

Reducing energy consumption is a major challenge for energy-intensive industries such as papermaking. A commercially viable energy saving solution is to employ data-based optimization techniques to obtain a set of optimized operational settings that satisfy certain performance indices. The difficulties of this are: 1) the problems of this type are inherently multicriteria in the sense that improving one performance index might result in compromising the other important measures; 2) practical systems often exhibit unknown complex dynamics and several interconnections which make the modeling task difficult; and 3) as the models are acquired from the existing historical data, they are valid only locally and extrapolations incorporate risk of increasing process variability. To overcome these difficulties, this paper presents a new decision support system for robust multiobjective optimization of interconnected processes. The plant is first divided into serially connected units to model the process, product quality, energy consumption, and corresponding uncertainty measures. Then multiobjective gradient descent algorithm is used to solve the problem in line with user's preference information. Finally, the optimization results are visualized for analysis and decision making. In practice, if further iterations of the optimization algorithm are considered, validity of the local models must be checked prior to proceeding to further iterations. The method is implemented by a MATLAB-based interactive tool DataExplorer supporting a range of data analysis, modeling, and multiobjective optimization techniques. The proposed approach was tested in two U.K.-based commercial paper mills where the aim was reducing steam consumption and increasing productivity while maintaining the product quality by optimization of vacuum pressures in forming and press sections. The experimental results demonstrate the effectiveness of the method. © 2006 IEEE.

Observation and modeling for terrestrial processes in alpine meadow

The water-heat transfer process between land and atmosphere in Haibei alpine meadow area has been systematically observed. A multi-layer coupling model for land-atmosphere interaction was presented with special attention paid to the moisture transfer in leaf stomata under unsaturated condition. A profound investigation on the physical process of turbulent transfer inside the vegetation has been performed with a revised formula of water absorption for root system. The present model facilitates the study of vertically distributed physical variables in detail. Numerical simulation was conducted according to the transfer process of Kinesia humility meadow in the area of Haibei Alpine Meadow Ecosystem Station, CAS. The calculated results agree well with observation.

Analysis and modeling of heaping behavior of granular mixtures within a computational mechanics framework

This paper presents a continuum model of the flow of granular material during filling of a silo, using a viscoplastic constitutive relation based on the Drucker-Prager plasticity yield function. The performed simulations demonstrate the ability of the model to realistically represent complex features of granular flows during filling processes, such as heap formation and non-zero inclination angle of the bulk material-air interface. In addition, micro-mechanical parametrizations which account for particle size segregation are incorporated into the model. It is found that numerical predictions of segregation phenomena during filling of a binary granular mixture agree well with experimental results. Further numerical tests indicate the capability of the model to cope successfully with complex operations involving granular mixtures.

Structure and thermal properties of salicylate-based-protic ionic liquids as new heat storage media. COSMO-RS structure characterization and modeling of heat capacities

During this research, we present a study on the thermal properties, such as the melting, cold crystallization, and glass transition temperatures as well as heat capacities from 293.15 K to 323.15 K of nine in-house synthesized protic ionic liquids based on the 3-(alkoxymethyl)-1H-imidazol-3-ium salicylate ([H-Im-C₁OC_n][Sal]) with n = 3–11. The 3D structures, surface charge distributions and COSMO volumes of all investigated ions are obtained by combining DFT calculations and the COSMO-RS methodology. The heat capacity data sets as a function of temperature of the 3-(alkoxymethyl)-1H-imidazol-3-ium salicylate are then predicted using the methodology originally proposed in the case of ionic liquids by Ge et al. 3-(Alkoxymethyl)-1H-imidazol-3-ium salicylate based ionic liquids present specific heat capacities higher in many cases than other ionic liquids that make them suitable as heat storage media and in heat transfer processes. It was found experimentally that the heat capacity increases linearly with increasing alkyl chain length of the alkoxymethyl group of 3-(alkoxymethyl)-1H-imidazol-3-ium salicylate as was expected and predicted using the Ge et al. method with an overall relative absolute deviation close to 3.2% for temperatures up to 323.15 K.

Non-equilibrium modeling of the FE XVII 3C/3D Line Ratio in an Intense X-ray Free-electron Laser Excited Plasma

Recent measurements using an X-ray Free Electron Laser (XFEL) and an Electron Beam Ion Trap at the Linac Coherent Light Source facility highlighted large discrepancies between the observed and theoretical values for the Fe XVII 3C/3D line intensity ratio. This result raised the question of whether the theoretical oscillator strengths may be significantly in error, due to insufficiencies in the atomic structure calculations. We present time-dependent spectral modeling of this experiment and show that non-equilibrium effects can dramatically reduce the predicted 3C/3D line intensity ratio, compared with that obtained by simply taking the ratio of oscillator strengths. Once these non-equilibrium effects are accounted for, the measured line intensity ratio can be used to determine a revised value for the 3C/3D oscillator strength ratio, giving a range from 3.0 to 3.5. We also provide a framework to narrow this range further, if more precise information about the pulse parameters can be determined. We discuss the implications of the new results for the use of Fe XVII spectral features as astrophysical diagnostics and investigate the importance of time-dependent effects in interpreting XFEL-excited plasmas.

M Dwarf Flare Continuum Variations on One-second Timescales: Calibrating and Modeling of ULTRACAM Flare Color Indices

We present a large data set of high-cadence dMe flare light curves obtained with custom continuum filters on the triple-beam, high-speed camera system ULTRACAM. The measurements provide constraints for models of the near-ultraviolet (NUV) and optical continuum spectral evolution on timescales of ≈1 s. We provide a robust interpretation of the flare emission in the ULTRACAM filters using simultaneously obtained low-resolution spectra during two moderate-sized flares in the dM4.5e star YZ CMi. By avoiding the spectral complexity within the broadband Johnson filters, the ULTRACAM filters are shown to characterize bona fide continuum emission in the NUV, blue, and red wavelength regimes. The NUV/blue flux ratio in flares is equivalent to a Balmer jump ratio, and the blue/red flux ratio provides an estimate for the color temperature of the optical continuum emission. We present a new “color-color” relationship for these continuum flux ratios at the peaks of the flares. Using the RADYN and RH codes, we interpret the ULTRACAM filter emission using the dominant emission processes from a radiative-hydrodynamic flare model with a high nonthermal electron beam flux, which explains a hot, T ≈ 104 K, color temperature at blue-to-red optical wavelengths and a small Balmer jump ratio as observed in moderate-sized and large flares alike. We also discuss the high time resolution, high signal-to-noise continuum color variations observed in YZ CMi during a giant flare, which increased the NUV flux from this star by over a factor of 100. Based on observations obtained with the Apache Point Observatory 3.5 m telescope, which is owned and operated by the Astrophysical Research Consortium, based on observations made with the William Herschel Telescope operated on the island of La Palma by the Isaac Newton Group in the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrofsica de Canarias, and observations, and based on observations made with the ESO Telescopes at the La Silla Paranal Observatory under programme ID 085.D-0501(A).

ARMA modeling of time series based on rational approximation of spectral density function

This study is concerned with Autoregressive Moving Average (ARMA) models of time series. ARMA models form a subclass of the class of general linear models which represents stationary time series, a phenomenon encountered most often in practice by engineers, scientists and economists. It is always desirable to employ models which use parameters parsimoniously. Parsimony will be achieved by ARMA models because it has only finite number of parameters. Even though the discussion is primarily concerned with stationary time series, later we will take up the case of homogeneous non stationary time series which can be transformed to stationary time series. Time series models, obtained with the help of the present and past data is used for forecasting future values. Physical science as well as social science take benefits of forecasting models. The role of forecasting cuts across all fields of management-—finance, marketing, production, business economics, as also in signal process, communication engineering, chemical processes, electronics etc. This high applicability of time series is the motivation to this study.

Atomistic-continuum modeling of ultrafast laser-induced melting of silicon targets

In this work, we present an atomistic-continuum model for simulations of ultrafast laser-induced melting processes in semiconductors on the example of silicon. The kinetics of transient non-equilibrium phase transition mechanisms is addressed with MD method on the atomic level, whereas the laser light absorption, strong generated electron-phonon nonequilibrium, fast heat conduction, and photo-excited free carrier diffusion are accounted for with a continuum TTM-like model (called nTTM). First, we independently consider the applications of nTTM and MD for the description of silicon, and then construct the combined MD-nTTM model. Its development and thorough testing is followed by a comprehensive computational study of fast nonequilibrium processes induced in silicon by an ultrashort laser irradiation. The new model allowed to investigate the effect of laser-induced pressure and temperature of the lattice on the melting kinetics. Two competing melting mechanisms, heterogeneous and homogeneous, were identified in our big-scale simulations. Apart from the classical heterogeneous melting mechanism, the nucleation of the liquid phase homogeneously inside the material significantly contributes to the melting process. The simulations showed, that due to the open diamond structure of the crystal, the laser-generated internal compressive stresses reduce the crystal stability against the homogeneous melting. Consequently, the latter can take a massive character within several picoseconds upon the laser heating. Due to the large negative volume of melting of silicon, the material contracts upon the phase transition, relaxes the compressive stresses, and the subsequent melting proceeds heterogeneously until the excess of thermal energy is consumed. A series of simulations for a range of absorbed fluences allowed us to find the threshold fluence value at which homogeneous liquid nucleation starts contributing to the classical heterogeneous propagation of the solid-liquid interface. A series of simulations for a range of the material thicknesses showed that the sample width we chosen in our simulations (800 nm) corresponds to a thick sample. Additionally, in order to support the main conclusions, the results were verified for a different interatomic potential. Possible improvements of the model to account for nonthermal effects are discussed and certain restrictions on the suitable interatomic potentials are found. As a first step towards the inclusion of these effects into MD-nTTM, we performed nanometer-scale MD simulations with a new interatomic potential, designed to reproduce ab initio calculations at the laser-induced electronic temperature of 18946 K. The simulations demonstrated that, similarly to thermal melting, nonthermal phase transition occurs through nucleation. A series of simulations showed that higher (lower) initial pressure reinforces (hinders) the creation and the growth of nonthermal liquid nuclei. For the example of Si, the laser melting kinetics of semiconductors was found to be noticeably different from that of metals with a face-centered cubic crystal structure. The results of this study, therefore, have important implications for interpretation of experimental data on the kinetics of melting process of semiconductors.

Fractional order modeling of large three-dimensional RC networks

An incidence matrix analysis is used to model a three-dimensional network consisting of resistive and capacitive elements distributed across several interconnected layers. A systematic methodology for deriving a descriptor representation of the network with random allocation of the resistors and capacitors is proposed. Using a transformation of the descriptor representation into standard state-space form, amplitude and phase admittance responses of three-dimensional random RC networks are obtained. Such networks display an emergent behavior with a characteristic Jonscher-like response over a wide range of frequencies. A model approximation study of these networks is performed to infer the admittance response using integral and fractional order models. It was found that a fractional order model with only seven parameters can accurately describe the responses of networks composed of more than 70 nodes and 200 branches with 100 resistors and 100 capacitors. The proposed analysis can be used to model charge migration in amorphous materials, which may be associated to specific macroscopic or microscopic scale fractal geometrical structures in composites displaying a viscoelastic electromechanical response, as well as to model the collective responses of processes governed by random events described using statistical mechanics.

Parmodel: a web server for automated comparative modeling of proteins

Parmodel is a web server for automated comparative modeling and evaluation of protein structures. The aim of this tool is to help inexperienced users to perform modeling, assessment, visualization, and optimization of protein models as well as crystallographers to evaluate structures solved experimentally. It is subdivided in four modules: Parmodel Modeling, Parmodel Assessment, Parmodel Visualization, and Parmodel Optimization. The main module is the Parmodel Modeling that allows the building of several models ford a same protein in a reduced time, through the distribution of modeling processes on a Beowulf cluster. Parmodel automates and integrates the main softwares used in comparative modeling as MODELLER, Whatcheck, Procheck, Raster3D, Molscript, and Gromacs. This web server is freely accessible at http://www.biocristalografia.df.ibilce.unesp.br/tools/parmodel. (C) 2004 Elsevier B.V. All rights reserved.

Analog Modeling of Human Cognitive Functions with Tripartite Synapses

Searching for an understanding of how the brain supports conscious processes, cognitive scientists have proposed two main classes of theory: Global Workspace and Information Integration theories. These theories seem to be complementary, but both still lack grounding in terms of brain mechanisms responsible for the production of coherent and unitary conscious states. Here we propose following James Robertson's "Astrocentric Hypothesis" - that conscious processing is based on analog computing in astrocytes. The "hardware" for these computations is calcium waves mediated by adenosine triphosphate signaling. Besides presenting our version of this hypothesis, we also review recent findings on astrocyte morphology that lend support to their functioning as Local Hubs (composed of protoplasmic astrocytes) that integrate synaptic activity, and as a Master Hub (composed, in the human brain, by a combination of interlaminar, fibrous, polarized and varicose projection astrocytes) that integrates whole-brain activity.

Modeling of hydraulic and energy efficiency indicators for water supply systems

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Flexibility and modeling in business processes: a multi-dimensional relationship

Over the last few years, Business Process Management (BPM) has achieved increasing popularity and dissemination. An analysis of the underlying assumptions of BPM shows that it pursues two apparently contradicting goals: on the one hand it aims at formalising work practices into business process models; on the other hand, it intends to confer flexibility to the organization - i.e. to maintain its ability to respond to new and unforeseen situations. This paper analyses the relationship between formalisation and flexibility in business process modelling by means of an empirical case study of a BPM project in an aircraft maintenance company. A qualitative approach is adopted based on the Actor-Network Theory. The paper offers two major contributions: (a) it illustrates the sociotechnical complexity involved in BPM initiatives; (b) it points towards a multidimensional understanding of the relation between formalization and flexibility in BPM projects.