Numerical implementation and oceanographic application of the Gibbs thermodynamic potential of seawater

Directory of Open Access Journals (Sweden)

R. Feistel

2005-01-01

Full Text Available The 2003 Gibbs thermodynamic potential function represents a very accurate, compact, consistent and comprehensive formulation of equilibrium properties of seawater. It is expressed in the International Temperature Scale ITS-90 and is fully consistent with the current scientific pure water standard, IAPWS-95. Source code examples in FORTRAN, C++ and Visual Basic are presented for the numerical implementation of the potential function and its partial derivatives, as well as for potential temperature. A collection of thermodynamic formulas and relations is given for possible applications in oceanography, from density and chemical potential over entropy and potential density to mixing heat and entropy production. For colligative properties like vapour pressure, freezing points, and for a Gibbs potential of sea ice, the equations relating the Gibbs function of seawater to those of vapour and ice are presented.

Enzyme Catalysis and the Gibbs Energy

Science.gov (United States)

Ault, Addison

2009-01-01

Gibbs-energy profiles are often introduced during the first semester of organic chemistry, but are less often presented in connection with enzyme-catalyzed reactions. In this article I show how the Gibbs-energy profile corresponds to the characteristic kinetics of a simple enzyme-catalyzed reaction. (Contains 1 figure and 1 note.)

Rapidly Mixing Gibbs Sampling for a Class of Factor Graphs Using Hierarchy Width.

Science.gov (United States)

De Sa, Christopher; Zhang, Ce; Olukotun, Kunle; Ré, Christopher

2015-12-01

Gibbs sampling on factor graphs is a widely used inference technique, which often produces good empirical results. Theoretical guarantees for its performance are weak: even for tree structured graphs, the mixing time of Gibbs may be exponential in the number of variables. To help understand the behavior of Gibbs sampling, we introduce a new (hyper)graph property, called hierarchy width . We show that under suitable conditions on the weights, bounded hierarchy width ensures polynomial mixing time. Our study of hierarchy width is in part motivated by a class of factor graph templates, hierarchical templates , which have bounded hierarchy width-regardless of the data used to instantiate them. We demonstrate a rich application from natural language processing in which Gibbs sampling provably mixes rapidly and achieves accuracy that exceeds human volunteers.

Oxidation potentials, Gibbs energies, enthalpies and entropies of actinide ions in aqueous solutions

International Nuclear Information System (INIS)

1977-01-01

The values of the Gibbs energy, enthalpy, and entropy of different actinide ions, thermodynamic characteristics of the processes of hydration of these ions, and the presently known ionization potentials of actinides are given. The enthalpy and entropy components of the oxidation potentials of actinide elements are considered. The curves of the dependence of the Gibbs energy of ion formation on the atomic number of the element and the Frost diagrams are analyzed. The diagram proposed by Frost represents the graphical dependence of the Gibbs energy of hydrated ions on the degree of oxidation of the element. Using the Frost diagram it is easy to establish whether a given ion is stable to disproportioning

Evolution algebras generated by Gibbs measures

International Nuclear Information System (INIS)

Rozikov, Utkir A.; Tian, Jianjun Paul

2009-03-01

In this article we study algebraic structures of function spaces defined by graphs and state spaces equipped with Gibbs measures by associating evolution algebras. We give a constructive description of associating evolution algebras to the function spaces (cell spaces) defined by graphs and state spaces and Gibbs measure μ. For finite graphs we find some evolution subalgebras and other useful properties of the algebras. We obtain a structure theorem for evolution algebras when graphs are finite and connected. We prove that for a fixed finite graph, the function spaces have a unique algebraic structure since all evolution algebras are isomorphic to each other for whichever Gibbs measures are assigned. When graphs are infinite graphs then our construction allows a natural introduction of thermodynamics in studying of several systems of biology, physics and mathematics by theory of evolution algebras. (author)

Modeling adsorption of cationic surfactants at air/water interface without using the Gibbs equation.

Science.gov (United States)

Phan, Chi M; Le, Thu N; Nguyen, Cuong V; Yusa, Shin-ichi

2013-04-16

The Gibbs adsorption equation has been indispensable in predicting the surfactant adsorption at the interfaces, with many applications in industrial and natural processes. This study uses a new theoretical framework to model surfactant adsorption at the air/water interface without the Gibbs equation. The model was applied to two surfactants, C14TAB and C16TAB, to determine the maximum surface excesses. The obtained values demonstrated a fundamental change, which was verified by simulations, in the molecular arrangement at the interface. The new insights, in combination with recent discoveries in the field, expose the limitations of applying the Gibbs adsorption equation to cationic surfactants at the air/water interface.

Theoretical Understanding the Relations of Melting-point Determination Methods from Gibbs Thermodynamic Surface and Applications on Melting Curves of Lower Mantle Minerals

Science.gov (United States)

Yin, K.; Belonoshko, A. B.; Zhou, H.; Lu, X.

2016-12-01

The melting temperatures of materials in the interior of the Earth has significant implications in many areas of geophysics. The direct calculations of the melting point by atomic simulations would face substantial hysteresis problem. To overcome the hysteresis encountered in the atomic simulations there are a few different melting-point determination methods available nowadays, which are founded independently, such as the free energy method, the two-phase or coexistence method, and the Z method, etc. In this study, we provide a theoretical understanding the relations of these methods from a geometrical perspective based on a quantitative construction of the volume-entropy-energy thermodynamic surface, a model first proposed by J. Willard Gibbs in 1873. Then combining with an experimental data and/or a previous melting-point determination method, we apply this model to derive the high-pressure melting curves for several lower mantle minerals with less computational efforts relative to using previous methods only. Through this way, some polyatomic minerals at extreme pressures which are almost unsolvable before are calculated fully from first principles now.

Gibbs perturbations of a two-dimensional gauge field

International Nuclear Information System (INIS)

Petrova, E.N.

1981-01-01

Small Gibbs perturbations of random fields have been investigated up to now for a few initial fields only. Among them there are independent fields, Gaussian fields and some others. The possibility for the investigation of Gibbs modifications of a random field depends essentially on the existence of good estimates for semiinvariants of this field. This is the reason why the class of random fields for which the investigation of Gibbs perturbations with arbitrary potential of bounded support is possible is rather small. The author takes as initial a well-known model: a two-dimensional gauge field. (Auth.)

Reflections on Gibbs: From Critical Phenomena to the Amistad

Science.gov (United States)

Kadanoff, Leo P.

2003-03-01

J. Willard Gibbs, the younger was the first American theorist. He was one of the inventors of statistical physics. His introduction and development of the concepts of phase space, phase transitions, and thermodynamic surfaces was remarkably correct and elegant. These three concepts form the basis of different but related areas of physics. The connection among these areas has been a subject of deep reflection from Gibbs' time to our own. I shall talk about these connections by using concepts suggested by the work of Michael Berry and explicitly put forward by the philosopher Robert Batterman. This viewpoint relates theory-connection to the applied mathematics concepts of asymptotic analysis and singular perturbations. J. Willard Gibbs, the younger, had all his achievements concentrated in science. His father, also J. Willard Gibbs, also a Professor at Yale, had one great achievement that remains unmatched in our day. I shall describe it.

A brief critique of the Adam-Gibbs entropy model

DEFF Research Database (Denmark)

Dyre, J. C.; Hecksher, Tina; Niss, Kristine

2009-01-01

This paper critically discusses the entropy model proposed by Adam and Gibbs in 1965 for the dramatic temperature dependence of glass-forming liquids' average relaxation time, which is one of the most influential models during the last four decades. We discuss the Adam-Gibbs model's theoretical...

Thermodynamic fluctuations within the Gibbs and Einstein approaches

International Nuclear Information System (INIS)

Rudoi, Yurii G; Sukhanov, Alexander D

2000-01-01

A comparative analysis of the descriptions of fluctuations in statistical mechanics (the Gibbs approach) and in statistical thermodynamics (the Einstein approach) is given. On this basis solutions are obtained for the Gibbs and Einstein problems that arise in pressure fluctuation calculations for a spatially limited equilibrium (or slightly nonequilibrium) macroscopic system. A modern formulation of the Gibbs approach which allows one to calculate equilibrium pressure fluctuations without making any additional assumptions is presented; to this end the generalized Bogolyubov - Zubarev and Hellmann - Feynman theorems are proved for the classical and quantum descriptions of a macrosystem. A statistical version of the Einstein approach is developed which shows a fundamental difference in pressure fluctuation results obtained within the context of two approaches. Both the 'genetic' relation between the Gibbs and Einstein approaches and the conceptual distinction between their physical grounds are demonstrated. To illustrate the results, which are valid for any thermodynamic system, an ideal nondegenerate gas of microparticles is considered, both classically and quantum mechanically. Based on the results obtained, the correspondence between the micro- and macroscopic descriptions is considered and the prospects of statistical thermodynamics are discussed. (reviews of topical problems)

Reflections on Gibbs: From Statistical Physics to the Amistad V3.0

Science.gov (United States)

Kadanoff, Leo P.

2014-07-01

This note is based upon a talk given at an APS meeting in celebration of the achievements of J. Willard Gibbs. J. Willard Gibbs, the younger, was the first American physical sciences theorist. He was one of the inventors of statistical physics. He introduced and developed the concepts of phase space, phase transitions, and thermodynamic surfaces in a remarkably correct and elegant manner. These three concepts form the basis of different areas of physics. The connection among these areas has been a subject of deep reflection from Gibbs' time to our own. This talk therefore celebrated Gibbs by describing modern ideas about how different parts of physics fit together. I finished with a more personal note. Our own J. Willard Gibbs had all his many achievements concentrated in science. His father, also J. Willard Gibbs, also a Professor at Yale, had one great non-academic achievement that remains unmatched in our day. I describe it.

Gibbs phenomenon for dispersive PDEs on the line

OpenAIRE

Biondini, Gino; Trogdon, Thomas

2014-01-01

We investigate the Cauchy problem for linear, constant-coefficient evolution PDEs on the real line with discontinuous initial conditions (ICs) in the small-time limit. The small-time behavior of the solution near discontinuities is expressed in terms of universal, computable special functions. We show that the leading-order behavior of the solution of dispersive PDEs near a discontinuity of the ICs is characterized by Gibbs-type oscillations and gives exactly the Wilbraham-Gibbs constant.

Inference with minimal Gibbs free energy in information field theory

International Nuclear Information System (INIS)

Ensslin, Torsten A.; Weig, Cornelius

2010-01-01

Non-linear and non-Gaussian signal inference problems are difficult to tackle. Renormalization techniques permit us to construct good estimators for the posterior signal mean within information field theory (IFT), but the approximations and assumptions made are not very obvious. Here we introduce the simple concept of minimal Gibbs free energy to IFT, and show that previous renormalization results emerge naturally. They can be understood as being the Gaussian approximation to the full posterior probability, which has maximal cross information with it. We derive optimized estimators for three applications, to illustrate the usage of the framework: (i) reconstruction of a log-normal signal from Poissonian data with background counts and point spread function, as it is needed for gamma ray astronomy and for cosmography using photometric galaxy redshifts, (ii) inference of a Gaussian signal with unknown spectrum, and (iii) inference of a Poissonian log-normal signal with unknown spectrum, the combination of (i) and (ii). Finally we explain how Gaussian knowledge states constructed by the minimal Gibbs free energy principle at different temperatures can be combined into a more accurate surrogate of the non-Gaussian posterior.

A comparison of various Gibbs energy dissipation correlations for predicting microbial growth yields

Energy Technology Data Exchange (ETDEWEB)

Liu, J.-S. [Laboratory of Chemical and Biochemical Engineering, Swiss Federal Institute of Technology, EPFL, CH-1015 Lausanne (Switzerland); Vojinovic, V. [Laboratory of Chemical and Biochemical Engineering, Swiss Federal Institute of Technology, EPFL, CH-1015 Lausanne (Switzerland); Patino, R. [Cinvestav-Merida, Departamento de Fisica Aplicada, Km. 6 carretera antigua a Progreso, AP 73 Cordemex, 97310 Merida, Yucatan (Mexico); Maskow, Th. [UFZ Centre for Environmental Research, Department of Environmental Microbiology, Permoserstrasse 15, D-04318 Leipzig (Germany); Stockar, U. von [Laboratory of Chemical and Biochemical Engineering, Swiss Federal Institute of Technology, EPFL, CH-1015 Lausanne (Switzerland)]. E-mail: urs.vonStockar@epfl.ch

2007-06-25

Thermodynamic analysis may be applied in order to predict microbial growth yields roughly, based on an empirical correlation of the Gibbs energy of the overall growth reaction or Gibbs energy dissipation. Due to the well-known trade-off between high biomass yield and high Gibbs energy dissipation necessary for fast growth, an optimal range of Gibbs energy dissipation exists and it can be correlated to physical characteristics of the growth substrates. A database previously available in the literature has been extended significantly in order to test such correlations. An analysis of the relationship between biomass yield and Gibbs energy dissipation reveals that one does not need a very precise estimation of the latter to predict the former roughly. Approximating the Gibbs energy dissipation with a constant universal value of -500 kJ C-mol{sup -1} of dry biomass grown predicts many experimental growth yields nearly as well as a carefully designed, complex correlation available from the literature, even though a number of predictions are grossly out of range. A new correlation for Gibbs energy dissipation is proposed which is just as accurate as the complex literature correlation despite its dramatically simpler structure.

A comparison of various Gibbs energy dissipation correlations for predicting microbial growth yields

International Nuclear Information System (INIS)

Liu, J.-S.; Vojinovic, V.; Patino, R.; Maskow, Th.; Stockar, U. von

2007-01-01

Thermodynamic analysis may be applied in order to predict microbial growth yields roughly, based on an empirical correlation of the Gibbs energy of the overall growth reaction or Gibbs energy dissipation. Due to the well-known trade-off between high biomass yield and high Gibbs energy dissipation necessary for fast growth, an optimal range of Gibbs energy dissipation exists and it can be correlated to physical characteristics of the growth substrates. A database previously available in the literature has been extended significantly in order to test such correlations. An analysis of the relationship between biomass yield and Gibbs energy dissipation reveals that one does not need a very precise estimation of the latter to predict the former roughly. Approximating the Gibbs energy dissipation with a constant universal value of -500 kJ C-mol -1 of dry biomass grown predicts many experimental growth yields nearly as well as a carefully designed, complex correlation available from the literature, even though a number of predictions are grossly out of range. A new correlation for Gibbs energy dissipation is proposed which is just as accurate as the complex literature correlation despite its dramatically simpler structure

Extension of Gibbs-Duhem equation including influences of external fields

Science.gov (United States)

Guangze, Han; Jianjia, Meng

2018-03-01

Gibbs-Duhem equation is one of the fundamental equations in thermodynamics, which describes the relation among changes in temperature, pressure and chemical potential. Thermodynamic system can be affected by external field, and this effect should be revealed by thermodynamic equations. Based on energy postulate and the first law of thermodynamics, the differential equation of internal energy is extended to include the properties of external fields. Then, with homogeneous function theorem and a redefinition of Gibbs energy, a generalized Gibbs-Duhem equation with influences of external fields is derived. As a demonstration of the application of this generalized equation, the influences of temperature and external electric field on surface tension, surface adsorption controlled by external electric field, and the derivation of a generalized chemical potential expression are discussed, which show that the extended Gibbs-Duhem equation developed in this paper is capable to capture the influences of external fields on a thermodynamic system.

Uniqueness of Gibbs measure for Potts model with countable set of spin values

International Nuclear Information System (INIS)

Ganikhodjaev, N.N.; Rozikov, U.A.

2004-11-01

We consider a nearest-neighbor Potts model with countable spin values 0,1,..., and non zero external field, on a Cayley tree of order k (with k+1 neighbors). We study translation-invariant 'splitting' Gibbs measures. We reduce the problem to the description of the solutions of some infinite system of equations. For any k≥1 and any fixed probability measure ν with ν(i)>0 on the set of all non negative integer numbers Φ={0,1,...} we show that the set of translation-invariant splitting Gibbs measures contains at most one point, independently on parameters of the Potts model with countable set of spin values on Cayley tree. Also we give a full description of the class of measures ν on Φ such that wit respect to each element of this class our infinite system of equations has unique solution {a i =1,2,...}, where a is an element of (0,1). (author)

Quantitative Boltzmann-Gibbs Principles via Orthogonal Polynomial Duality

Science.gov (United States)

Ayala, Mario; Carinci, Gioia; Redig, Frank

2018-06-01

We study fluctuation fields of orthogonal polynomials in the context of particle systems with duality. We thereby obtain a systematic orthogonal decomposition of the fluctuation fields of local functions, where the order of every term can be quantified. This implies a quantitative generalization of the Boltzmann-Gibbs principle. In the context of independent random walkers, we complete this program, including also fluctuation fields in non-stationary context (local equilibrium). For other interacting particle systems with duality such as the symmetric exclusion process, similar results can be obtained, under precise conditions on the n particle dynamics.

Dynamical predictive power of the generalized Gibbs ensemble revealed in a second quench.

Science.gov (United States)

Zhang, J M; Cui, F C; Hu, Jiangping

2012-04-01

We show that a quenched and relaxed completely integrable system is hardly distinguishable from the corresponding generalized Gibbs ensemble in a dynamical sense. To be specific, the response of the quenched and relaxed system to a second quench can be accurately reproduced by using the generalized Gibbs ensemble as a substitute. Remarkably, as demonstrated with the transverse Ising model and the hard-core bosons in one dimension, not only the steady values but even the transient, relaxation dynamics of the physical variables can be accurately reproduced by using the generalized Gibbs ensemble as a pseudoinitial state. This result is an important complement to the previously established result that a quenched and relaxed system is hardly distinguishable from the generalized Gibbs ensemble in a static sense. The relevance of the generalized Gibbs ensemble in the nonequilibrium dynamics of completely integrable systems is then greatly strengthened.

Time-dependent generalized Gibbs ensembles in open quantum systems

Science.gov (United States)

Lange, Florian; Lenarčič, Zala; Rosch, Achim

2018-04-01

Generalized Gibbs ensembles have been used as powerful tools to describe the steady state of integrable many-particle quantum systems after a sudden change of the Hamiltonian. Here, we demonstrate numerically that they can be used for a much broader class of problems. We consider integrable systems in the presence of weak perturbations which break both integrability and drive the system to a state far from equilibrium. Under these conditions, we show that the steady state and the time evolution on long timescales can be accurately described by a (truncated) generalized Gibbs ensemble with time-dependent Lagrange parameters, determined from simple rate equations. We compare the numerically exact time evolutions of density matrices for small systems with a theory based on block-diagonal density matrices (diagonal ensemble) and a time-dependent generalized Gibbs ensemble containing only a small number of approximately conserved quantities, using the one-dimensional Heisenberg model with perturbations described by Lindblad operators as an example.

Determination of Gibbs energies of formation in aqueous solution using chemical engineering tools.

Science.gov (United States)

Toure, Oumar; Dussap, Claude-Gilles

2016-08-01

Standard Gibbs energies of formation are of primary importance in the field of biothermodynamics. In the absence of any directly measured values, thermodynamic calculations are required to determine the missing data. For several biochemical species, this study shows that the knowledge of the standard Gibbs energy of formation of the pure compounds (in the gaseous, solid or liquid states) enables to determine the corresponding standard Gibbs energies of formation in aqueous solutions. To do so, using chemical engineering tools (thermodynamic tables and a model enabling to predict activity coefficients, solvation Gibbs energies and pKa data), it becomes possible to determine the partial chemical potential of neutral and charged components in real metabolic conditions, even in concentrated mixtures. Copyright © 2016 Elsevier Ltd. All rights reserved.

Poisson branching point processes

International Nuclear Information System (INIS)

Matsuo, K.; Teich, M.C.; Saleh, B.E.A.

1984-01-01

We investigate the statistical properties of a special branching point process. The initial process is assumed to be a homogeneous Poisson point process (HPP). The initiating events at each branching stage are carried forward to the following stage. In addition, each initiating event independently contributes a nonstationary Poisson point process (whose rate is a specified function) located at that point. The additional contributions from all points of a given stage constitute a doubly stochastic Poisson point process (DSPP) whose rate is a filtered version of the initiating point process at that stage. The process studied is a generalization of a Poisson branching process in which random time delays are permitted in the generation of events. Particular attention is given to the limit in which the number of branching stages is infinite while the average number of added events per event of the previous stage is infinitesimal. In the special case when the branching is instantaneous this limit of continuous branching corresponds to the well-known Yule--Furry process with an initial Poisson population. The Poisson branching point process provides a useful description for many problems in various scientific disciplines, such as the behavior of electron multipliers, neutron chain reactions, and cosmic ray showers

Consistent estimation of Gibbs energy using component contributions.

Directory of Open Access Journals (Sweden)

Elad Noor

Full Text Available Standard Gibbs energies of reactions are increasingly being used in metabolic modeling for applying thermodynamic constraints on reaction rates, metabolite concentrations and kinetic parameters. The increasing scope and diversity of metabolic models has led scientists to look for genome-scale solutions that can estimate the standard Gibbs energy of all the reactions in metabolism. Group contribution methods greatly increase coverage, albeit at the price of decreased precision. We present here a way to combine the estimations of group contribution with the more accurate reactant contributions by decomposing each reaction into two parts and applying one of the methods on each of them. This method gives priority to the reactant contributions over group contributions while guaranteeing that all estimations will be consistent, i.e. will not violate the first law of thermodynamics. We show that there is a significant increase in the accuracy of our estimations compared to standard group contribution. Specifically, our cross-validation results show an 80% reduction in the median absolute residual for reactions that can be derived by reactant contributions only. We provide the full framework and source code for deriving estimates of standard reaction Gibbs energy, as well as confidence intervals, and believe this will facilitate the wide use of thermodynamic data for a better understanding of metabolism.

Thinning spatial point processes into Poisson processes

DEFF Research Database (Denmark)

Møller, Jesper; Schoenberg, Frederic Paik

, and where one simulates backwards and forwards in order to obtain the thinned process. In the case of a Cox process, a simple independent thinning technique is proposed. In both cases, the thinning results in a Poisson process if and only if the true Papangelou conditional intensity is used, and thus can......This paper describes methods for randomly thinning certain classes of spatial point processes. In the case of a Markov point process, the proposed method involves a dependent thinning of a spatial birth-and-death process, where clans of ancestors associated with the original points are identified...... be used as a diagnostic for assessing the goodness-of-fit of a spatial point process model. Several examples, including clustered and inhibitive point processes, are considered....

Thinning spatial point processes into Poisson processes

DEFF Research Database (Denmark)

Møller, Jesper; Schoenberg, Frederic Paik

2010-01-01

are identified, and where we simulate backwards and forwards in order to obtain the thinned process. In the case of a Cox process, a simple independent thinning technique is proposed. In both cases, the thinning results in a Poisson process if and only if the true Papangelou conditional intensity is used, and......In this paper we describe methods for randomly thinning certain classes of spatial point processes. In the case of a Markov point process, the proposed method involves a dependent thinning of a spatial birth-and-death process, where clans of ancestors associated with the original points......, thus, can be used as a graphical exploratory tool for inspecting the goodness-of-fit of a spatial point process model. Several examples, including clustered and inhibitive point processes, are considered....

Gibbs equilibrium averages and Bogolyubov measure

International Nuclear Information System (INIS)

Sankovich, D.P.

2011-01-01

Application of the functional integration methods in equilibrium statistical mechanics of quantum Bose-systems is considered. We show that Gibbs equilibrium averages of Bose-operators can be represented as path integrals over a special Gauss measure defined in the corresponding space of continuous functions. We consider some problems related to integration with respect to this measure

Gibbs free energy of formation of liquid lanthanide-bismuth alloys

International Nuclear Information System (INIS)

Sheng Jiawei; Yamana, Hajimu; Moriyama, Hirotake

2001-01-01

The linear free energy relationship developed by Sverjensky and Molling provides a way to predict Gibbs free energies of liquid Ln-Bi alloys formation from the known thermodynamic properties of aqueous trivalent lanthanides (Ln 3(5(6+ ). The Ln-Bi alloys are divided into two isostructural families named as the LnBi 2 (Ln=La, Ce, Pr, Nd and Pm) and LnBi (Ln=Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm and Yb). The calculated Gibbs free energy values are well agreed with experimental data

Boltzmann, Gibbs and Darwin-Fowler approaches in parastatistics

International Nuclear Information System (INIS)

Ponczek, R.L.; Yan, C.C.

1976-01-01

Derivations of the equilibrium values of occupation numbers are made using three approaches, namely, the Boltzmann 'elementary' one, the ensemble method of Gibbs, and that of Darwin and Fowler as well [pt

Continuous spin mean-field models : Limiting kernels and Gibbs properties of local transforms

NARCIS (Netherlands)

Kulske, Christof; Opoku, Alex A.

2008-01-01

We extend the notion of Gibbsianness for mean-field systems to the setup of general (possibly continuous) local state spaces. We investigate the Gibbs properties of systems arising from an initial mean-field Gibbs measure by application of given local transition kernels. This generalizes previous

Large scale inference in the Infinite Relational Model: Gibbs sampling is not enough

DEFF Research Database (Denmark)

Albers, Kristoffer Jon; Moth, Andreas Leon Aagard; Mørup, Morten

2013-01-01

. We find that Gibbs sampling can be computationally scaled to handle millions of nodes and billions of links. Investigating the behavior of the Gibbs sampler for different sizes of networks we find that the mixing ability decreases drastically with the network size, clearly indicating a need...

GPU-accelerated Gibbs ensemble Monte Carlo simulations of Lennard-Jonesium

Science.gov (United States)

Mick, Jason; Hailat, Eyad; Russo, Vincent; Rushaidat, Kamel; Schwiebert, Loren; Potoff, Jeffrey

2013-12-01

This work describes an implementation of canonical and Gibbs ensemble Monte Carlo simulations on graphics processing units (GPUs). The pair-wise energy calculations, which consume the majority of the computational effort, are parallelized using the energetic decomposition algorithm. While energetic decomposition is relatively inefficient for traditional CPU-bound codes, the algorithm is ideally suited to the architecture of the GPU. The performance of the CPU and GPU codes are assessed for a variety of CPU and GPU combinations for systems containing between 512 and 131,072 particles. For a system of 131,072 particles, the GPU-enabled canonical and Gibbs ensemble codes were 10.3 and 29.1 times faster (GTX 480 GPU vs. i5-2500K CPU), respectively, than an optimized serial CPU-bound code. Due to overhead from memory transfers from system RAM to the GPU, the CPU code was slightly faster than the GPU code for simulations containing less than 600 particles. The critical temperature Tc∗=1.312(2) and density ρc∗=0.316(3) were determined for the tail corrected Lennard-Jones potential from simulations of 10,000 particle systems, and found to be in exact agreement with prior mixed field finite-size scaling calculations [J.J. Potoff, A.Z. Panagiotopoulos, J. Chem. Phys. 109 (1998) 10914].

Illustrating Enzyme Inhibition Using Gibbs Energy Profiles

Science.gov (United States)

Bearne, Stephen L.

2012-01-01

Gibbs energy profiles have great utility as teaching and learning tools because they present students with a visual representation of the energy changes that occur during enzyme catalysis. Unfortunately, most textbooks divorce discussions of traditional kinetic topics, such as enzyme inhibition, from discussions of these same topics in terms of…

The Role of Shearing Energy and Interfacial Gibbs Free Energy in the Emulsification Mechanism of Waxy Crude Oil

Directory of Open Access Journals (Sweden)

Zhihua Wang

2017-05-01

Full Text Available Crude oil is generally produced with water, and the water cut produced by oil wells is increasingly common over their lifetime, so it is inevitable to create emulsions during oil production. However, the formation of emulsions presents a costly problem in surface process particularly, both in terms of transportation energy consumption and separation efficiency. To deal with the production and operational problems which are related to crude oil emulsions, especially to ensure the separation and transportation of crude oil-water systems, it is necessary to better understand the emulsification mechanism of crude oil under different conditions from the aspects of bulk and interfacial properties. The concept of shearing energy was introduced in this study to reveal the driving force for emulsification. The relationship between shearing stress in the flow field and interfacial tension (IFT was established, and the correlation between shearing energy and interfacial Gibbs free energy was developed. The potential of the developed correlation model was validated using the experimental and field data on emulsification behavior. It was also shown how droplet deformation could be predicted from a random deformation degree and orientation angle. The results indicated that shearing energy as the energy produced by shearing stress working in the flow field is the driving force activating the emulsification behavior. The deformation degree and orientation angle of dispersed phase droplet are associated with the interfacial properties, rheological properties and the experienced turbulence degree. The correlation between shearing stress and IFT can be quantified if droplet deformation degree vs. droplet orientation angle data is available. When the water cut is close to the inversion point of waxy crude oil emulsion, the interfacial Gibbs free energy change decreased and the shearing energy increased. This feature is also presented in the special regions where

On P-Adic Quasi Gibbs Measures for Q + 1-State Potts Model on the Cayley Tree

International Nuclear Information System (INIS)

Mukhamedov, Farrukh

2010-06-01

In the present paper we introduce a new class of p-adic measures, associated with q +1-state Potts model, called p-adic quasi Gibbs measure, which is totally different from the p-adic Gibbs measure. We establish the existence p-adic quasi Gibbs measures for the model on a Cayley tree. If q is divisible by p, then we prove the occurrence of a strong phase transition. If q and p are relatively prime, then there is a quasi phase transition. These results are totally different from the results of [F.M.Mukhamedov, U.A. Rozikov, Indag. Math. N.S. 15(2005) 85-100], since q is divisible by p, which means that q + 1 is not divided by p, so according to a main result of the mentioned paper, there is a unique and bounded p-adic Gibbs measure (different from p-adic quasi Gibbs measure). (author)

An Introduction to the DA-T Gibbs Sampler for the Two-Parameter Logistic (2PL Model and Beyond

Directory of Open Access Journals (Sweden)

Gunter Maris

2005-01-01

Full Text Available The DA-T Gibbs sampler is proposed by Maris and Maris (2002 as a Bayesian estimation method for a wide variety of Item Response Theory (IRT models. The present paper provides an expository account of the DAT Gibbs sampler for the 2PL model. However, the scope is not limited to the 2PL model. It is demonstrated how the DA-T Gibbs sampler for the 2PL may be used to build, quite easily, Gibbs samplers for other IRT models. Furthermore, the paper contains a novel, intuitive derivation of the Gibbs sampler and could be read for a graduate course on sampling.

The use of computational thermodynamics for the determination of surface tension and Gibbs-Thomson coefficient of multicomponent alloys

Science.gov (United States)

Ferreira, D. J. S.; Bezerra, B. N.; Collyer, M. N.; Garcia, A.; Ferreira, I. L.

2018-04-01

The simulation of casting processes demands accurate information on the thermophysical properties of the alloy; however, such information is scarce in the literature for multicomponent alloys. Generally, metallic alloys applied in industry have more than three solute components. In the present study, a general solution of Butler's formulation for surface tension is presented for multicomponent alloys and is applied in quaternary Al-Cu-Si-Fe alloys, thus permitting the Gibbs-Thomson coefficient to be determined. Such coefficient is a determining factor to the reliability of predictions furnished by microstructure growth models and by numerical computations of solidification thermal parameters, which will depend on the thermophysical properties assumed in the calculations. The Gibbs-Thomson coefficient for ternary and quaternary alloys is seldom reported in the literature. A numerical model based on Powell's hybrid algorithm and a finite difference Jacobian approximation has been coupled to a Thermo-Calc TCAPI interface to assess the excess Gibbs energy of the liquid phase, permitting liquidus temperature, latent heat, alloy density, surface tension and Gibbs-Thomson coefficient for Al-Cu-Si-Fe hypoeutectic alloys to be calculated, as an example of calculation capabilities for multicomponent alloys of the proposed method. The computed results are compared with thermophysical properties of binary Al-Cu and ternary Al-Cu-Si alloys found in the literature and presented as a function of the Cu solute composition.

Inferring the Gibbs state of a small quantum system

International Nuclear Information System (INIS)

Rau, Jochen

2011-01-01

Gibbs states are familiar from statistical mechanics, yet their use is not limited to that domain. For instance, they also feature in the maximum entropy reconstruction of quantum states from incomplete measurement data. Outside the macroscopic realm, however, estimating a Gibbs state is a nontrivial inference task, due to two complicating factors: the proper set of relevant observables might not be evident a priori; and whenever data are gathered from a small sample only, the best estimate for the Lagrange parameters is invariably affected by the experimenter's prior bias. I show how the two issues can be tackled with the help of Bayesian model selection and Bayesian interpolation, respectively, and illustrate the use of these Bayesian techniques with a number of simple examples.

Entropy Calculation of Reversible Mixing of Ideal Gases Shows Absence of Gibbs Paradox

OpenAIRE

Oleg Borodiouk; Vasili Tatarin

1999-01-01

Abstract: We consider the work of reversible mixing of ideal gases using a real process. Now assumptions were made concerning infinite shifts, infinite number of cycles and infinite work to provide an accurate calculation of entropy resulting from reversible mixing of ideal gases. We derived an equation showing the dependence of this entropy on the difference in potential of mixed gases, which is evidence for the absence of Gibbs' paradox.

An efficient estimator for Gibbs random fields

Czech Academy of Sciences Publication Activity Database

Janžura, Martin

2014-01-01

Roč. 50, č. 6 (2014), s. 883-895 ISSN 0023-5954 R&D Projects: GA ČR(CZ) GBP402/12/G097 Institutional support: RVO:67985556 Keywords : Gibbs random field * efficient estimator * empirical estimator Subject RIV: BA - General Mathematics Impact factor: 0.541, year: 2014 http://library.utia.cas.cz/separaty/2015/SI/janzura-0441325.pdf

Periodic p-adic Gibbs Measures of q-State Potts Model on Cayley Trees I: The Chaos Implies the Vastness of the Set of p-Adic Gibbs Measures

Science.gov (United States)

Ahmad, Mohd Ali Khameini; Liao, Lingmin; Saburov, Mansoor

2018-06-01

We study the set of p-adic Gibbs measures of the q-state Potts model on the Cayley tree of order three. We prove the vastness of the set of the periodic p-adic Gibbs measures for such model by showing the chaotic behavior of the corresponding Potts-Bethe mapping over Q_p for the prime numbers p≡1 (mod 3). In fact, for 0< |θ -1|_p< |q|_p^2 < 1 where θ =\\exp _p(J) and J is a coupling constant, there exists a subsystem that is isometrically conjugate to the full shift on three symbols. Meanwhile, for 0< |q|_p^2 ≤ |θ -1|_p< |q|_p < 1, there exists a subsystem that is isometrically conjugate to a subshift of finite type on r symbols where r ≥ 4. However, these subshifts on r symbols are all topologically conjugate to the full shift on three symbols. The p-adic Gibbs measures of the same model for the prime numbers p=2,3 and the corresponding Potts-Bethe mapping are also discussed. On the other hand, for 0< |θ -1|_p< |q|_p < 1, we remark that the Potts-Bethe mapping is not chaotic when p=3 and p≡ 2 (mod 3) and we could not conclude the vastness of the set of the periodic p-adic Gibbs measures. In a forthcoming paper with the same title, we will treat the case 0< |q|_p ≤ |θ -1|_p < 1 for all prime numbers p.

Entropy Calculation of Reversible Mixing of Ideal Gases Shows Absence of Gibbs Paradox

Directory of Open Access Journals (Sweden)

Oleg Borodiouk

1999-05-01

Full Text Available Abstract: We consider the work of reversible mixing of ideal gases using a real process. Now assumptions were made concerning infinite shifts, infinite number of cycles and infinite work to provide an accurate calculation of entropy resulting from reversible mixing of ideal gases. We derived an equation showing the dependence of this entropy on the difference in potential of mixed gases, which is evidence for the absence of Gibbs' paradox.

The MaxEnt extension of a quantum Gibbs family, convex geometry and geodesics

International Nuclear Information System (INIS)

Weis, Stephan

2015-01-01

We discuss methods to analyze a quantum Gibbs family in the ultra-cold regime where the norm closure of the Gibbs family fails due to discontinuities of the maximum-entropy inference. The current discussion of maximum-entropy inference and irreducible correlation in the area of quantum phase transitions is a major motivation for this research. We extend a representation of the irreducible correlation from finite temperatures to absolute zero

Detecting determinism from point processes.

Science.gov (United States)

Andrzejak, Ralph G; Mormann, Florian; Kreuz, Thomas

2014-12-01

The detection of a nonrandom structure from experimental data can be crucial for the classification, understanding, and interpretation of the generating process. We here introduce a rank-based nonlinear predictability score to detect determinism from point process data. Thanks to its modular nature, this approach can be adapted to whatever signature in the data one considers indicative of deterministic structure. After validating our approach using point process signals from deterministic and stochastic model dynamics, we show an application to neuronal spike trains recorded in the brain of an epilepsy patient. While we illustrate our approach in the context of temporal point processes, it can be readily applied to spatial point processes as well.

Prediction of Gibbs energies of formation and stability constants of some secondary uranium minerals containing the uranyl group

International Nuclear Information System (INIS)

Genderen, A.C.G. van; Weijden, C.H. van der

1984-01-01

For a group of minerals containing a common anion there exists a linear relationship between two parameters called ΔO and ΔF.ΔO is defined as the difference between the Gibbs energy of formation of a solid oxide and the Gibbs energy of formation of its aqueous cation, while ΔF is defined as the Gibbs energy of reaction of the formation of a mineral from the constituting oxide(s) and the acid. Using the Gibbs energies of formation of a number of known minerals the corresponding ΔO's and ΔF's were calculated and with the resulting regression equation it is possible to predict values for the Gibbs energies of formation of other minerals containing the same anion. This was done for 29 minerals containing the uranyl-ion together with phosphate, vanadate, arsenate or carbonate. (orig.)

Existence and uniqueness of Gibbs states for a statistical mechanical polyacetylene model

International Nuclear Information System (INIS)

Park, Y.M.

1987-01-01

One-dimensional polyacetylene is studied as a model of statistical mechanics. In a semiclassical approximation the system is equivalent to a quantum XY model interacting with unbounded classical spins in one-dimensional lattice space Z. By establishing uniform estimates, an infinite-volume-limit Hilbert space, a strongly continuous time evolution group of unitary operators, and an invariant vector are constructed. Moreover, it is proven that any infinite-limit state satisfies Gibbs conditions. Finally, a modification of Araki's relative entropy method is used to establish the uniqueness of Gibbs states

Exploring Fourier Series and Gibbs Phenomenon Using Mathematica

Science.gov (United States)

Ghosh, Jonaki B.

2011-01-01

This article describes a laboratory module on Fourier series and Gibbs phenomenon which was undertaken by 32 Year 12 students. It shows how the use of CAS played the role of an "amplifier" by making higher level mathematical concepts accessible to students of year 12. Using Mathematica students were able to visualise Fourier series of…

Activity coefficients and excess Gibbs' free energy of some binary mixtures formed by p-cresol at 95.23 kPa

Energy Technology Data Exchange (ETDEWEB)

Prasad, T.E. Vittal [Properties Group, Chemical Engineering Laboratory, Indian Institute of Chemical Technology, Hyderabad 500 007 (India); Venkanna, N. [Swamy Ramanandateertha Institute of Science and Technology, Hyderabad 508 004 (India); Kumar, Y. Naveen [Swamy Ramanandateertha Institute of Science and Technology, Hyderabad 508 004 (India); Ashok, K. [Swamy Ramanandateertha Institute of Science and Technology, Hyderabad 508 004 (India); Sirisha, N.M. [Swamy Ramanandateertha Institute of Science and Technology, Hyderabad 508 004 (India); Prasad, D.H.L. [Properties Group, Chemical Engineering Laboratory, Indian Institute of Chemical Technology, Hyderabad 500 007 (India)]. E-mail: dasika@iict.res.in

2007-07-15

Bubble point temperatures at 95.23 kPa, over the entire composition range are measured for the binary mixtures formed by p-cresol with 1,2-dichloroethane, 1,1,2,2-tetrachloroethane trichloroethylene, tetrachloroethylene, and o- , m- , and p-xylenes, making use of a Swietoslawski-type ebulliometer. Liquid phase mole fraction (x {sub 1}) versus bubble point temperature (T) measurements are found to be well represented by the Wilson model. The optimum Wilson parameters are used to calculate the vapor phase composition, activity coefficients, and excess Gibbs free energy. The results are discussed.

Inhomogeneous Markov point processes by transformation

DEFF Research Database (Denmark)

Jensen, Eva B. Vedel; Nielsen, Linda Stougaard

2000-01-01

We construct parametrized models for point processes, allowing for both inhomogeneity and interaction. The inhomogeneity is obtained by applying parametrized transformations to homogeneous Markov point processes. An interesting model class, which can be constructed by this transformation approach......, is that of exponential inhomogeneous Markov point processes. Statistical inference For such processes is discussed in some detail....

On the Tsallis Entropy for Gibbs Random Fields

Czech Academy of Sciences Publication Activity Database

Janžura, Martin

2014-01-01

Roč. 21, č. 33 (2014), s. 59-69 ISSN 1212-074X R&D Projects: GA ČR(CZ) GBP402/12/G097 Institutional research plan: CEZ:AV0Z1075907 Keywords : Tsallis entropy * Gibbs random fields * phase transitions * Tsallis entropy rate Subject RIV: BB - Applied Statistics, Operational Research http://library.utia.cas.cz/separaty/2014/SI/janzura-0441885.pdf

Discrete tomographic reconstruction of 2D polycrystal orientation maps from X-ray diffraction projections using Gibbs priors

DEFF Research Database (Denmark)

Rodek, L.; Knudsen, E.; Poulsen, H.F.

2005-01-01

discrete tomographic algorithm, applying image-modelling Gibbs priors and a homogeneity condition. The optimization of the objective function is accomplished via the Gibbs Sampler in conjunction with simulated annealing. In order to express the structure of the orientation map, the similarity...

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

Science.gov (United States)

Vargas, Francisco M.

2014-01-01

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

First-Year University Chemistry Textbooks' Misrepresentation of Gibbs Energy

Science.gov (United States)

Quilez, Juan

2012-01-01

This study analyzes the misrepresentation of Gibbs energy by college chemistry textbooks. The article reports the way first-year university chemistry textbooks handle the concepts of spontaneity and equilibrium. Problems with terminology are found; confusion arises in the meaning given to [delta]G, [delta][subscript r]G, [delta]G[degrees], and…

Virial theorem and Gibbs thermodynamic potential for Coulomb systems

International Nuclear Information System (INIS)

Bobrov, V. B.; Trigger, S. A.

2014-01-01

Using the grand canonical ensemble and the virial theorem, we show that the Gibbs thermodynamic potential of the non-relativistic system of charged particles is uniquely defined by single-particle Green functions of electrons and nuclei. This result is valid beyond the perturbation theory with respect to the interparticle interaction

Virial theorem and Gibbs thermodynamic potential for Coulomb systems

OpenAIRE

Bobrov, V. B.; Trigger, S. A.

2013-01-01

Using the grand canonical ensemble and the virial theorem, we show that the Gibbs thermodynamic potential of the non-relativistic system of charged particles is uniquely defined by single-particle Green functions of electrons and nuclei. This result is valid beyond the perturbation theory with respect to the interparticle interaction.

Lévy based Cox point processes

DEFF Research Database (Denmark)

Hellmund, Gunnar; Prokesová, Michaela; Jensen, Eva Bjørn Vedel

2008-01-01

In this paper we introduce Lévy-driven Cox point processes (LCPs) as Cox point processes with driving intensity function Λ defined by a kernel smoothing of a Lévy basis (an independently scattered, infinitely divisible random measure). We also consider log Lévy-driven Cox point processes (LLCPs......) with Λ equal to the exponential of such a kernel smoothing. Special cases are shot noise Cox processes, log Gaussian Cox processes, and log shot noise Cox processes. We study the theoretical properties of Lévy-based Cox processes, including moment properties described by nth-order product densities...

Local thermodynamics and the generalized Gibbs-Duhem equation in systems with long-range interactions.

Science.gov (United States)

Latella, Ivan; Pérez-Madrid, Agustín

2013-10-01

The local thermodynamics of a system with long-range interactions in d dimensions is studied using the mean-field approximation. Long-range interactions are introduced through pair interaction potentials that decay as a power law in the interparticle distance. We compute the local entropy, Helmholtz free energy, and grand potential per particle in the microcanonical, canonical, and grand canonical ensembles, respectively. From the local entropy per particle we obtain the local equation of state of the system by using the condition of local thermodynamic equilibrium. This local equation of state has the form of the ideal gas equation of state, but with the density depending on the potential characterizing long-range interactions. By volume integration of the relation between the different thermodynamic potentials at the local level, we find the corresponding equation satisfied by the potentials at the global level. It is shown that the potential energy enters as a thermodynamic variable that modifies the global thermodynamic potentials. As a result, we find a generalized Gibbs-Duhem equation that relates the potential energy to the temperature, pressure, and chemical potential. For the marginal case where the power of the decaying interaction potential is equal to the dimension of the space, the usual Gibbs-Duhem equation is recovered. As examples of the application of this equation, we consider spatially uniform interaction potentials and the self-gravitating gas. We also point out a close relationship with the thermodynamics of small systems.

One of Gibbs's ideas that has gone unnoticed (comment on chapter IX of his classic book)

International Nuclear Information System (INIS)

Sukhanov, Alexander D; Rudoi, Yurii G

2006-01-01

We show that contrary to the commonly accepted view, Chapter IX of Gibbs's book [1] contains the prolegomena to a macroscopic statistical theory that is qualitatively different from his own microscopic statistical mechanics. The formulas obtained by Gibbs were the first results in the history of physics related to the theory of fluctuations in any macroparameters, including temperature. (from the history of physics)

Gibbs free energy of formation of lanthanum rhodate by quadrupole mass spectrometer

International Nuclear Information System (INIS)

Prasad, R.; Banerjee, Aparna; Venugopal, V.

2003-01-01

The ternary oxide in the system La-Rh-O is of considerable importance because of its application in catalysis. Phase equilibria in the pseudo-binary system La 2 O 3 -Rh 2 O 3 has been investigated by Shevyakov et. al. Gibbs free energy of LaRhO 3 (s) was determined by Jacob et. al. using a solid state Galvanic cell in the temperature range 890 to 1310 K. No other thermodynamic data were available in the literature. Hence it was decided to determine Gibbs free energy of formation of LaRhO 3 (s) by an independent technique, viz. quadrupole mass spectrometer (QMS) coupled with a Knudsen effusion cell and the results are presented

Bayesian analysis of Markov point processes

DEFF Research Database (Denmark)

Berthelsen, Kasper Klitgaard; Møller, Jesper

2006-01-01

Recently Møller, Pettitt, Berthelsen and Reeves introduced a new MCMC methodology for drawing samples from a posterior distribution when the likelihood function is only specified up to a normalising constant. We illustrate the method in the setting of Bayesian inference for Markov point processes...... a partially ordered Markov point process as the auxiliary variable. As the method requires simulation from the "unknown" likelihood, perfect simulation algorithms for spatial point processes become useful....

Unifying hydrotropy under Gibbs phase rule.

Science.gov (United States)

Shimizu, Seishi; Matubayasi, Nobuyuki

2017-09-13

The task of elucidating the mechanism of solubility enhancement using hydrotropes has been hampered by the wide variety of phase behaviour that hydrotropes can exhibit, encompassing near-ideal aqueous solution, self-association, micelle formation, and micro-emulsions. Instead of taking a field guide or encyclopedic approach to classify hydrotropes into different molecular classes, we take a rational approach aiming at constructing a unified theory of hydrotropy based upon the first principles of statistical thermodynamics. Achieving this aim can be facilitated by the two key concepts: (1) the Gibbs phase rule as the basis of classifying the hydrotropes in terms of the degrees of freedom and the number of variables to modulate the solvation free energy; (2) the Kirkwood-Buff integrals to quantify the interactions between the species and their relative contributions to the process of solubilization. We demonstrate that the application of the two key concepts can in principle be used to distinguish the different molecular scenarios at work under apparently similar solubility curves observed from experiments. In addition, a generalization of our previous approach to solutes beyond dilution reveals the unified mechanism of hydrotropy, driven by a strong solute-hydrotrope interaction which overcomes the apparent per-hydrotrope inefficiency due to hydrotrope self-clustering.

State estimation for temporal point processes

NARCIS (Netherlands)

van Lieshout, Maria Nicolette Margaretha

2015-01-01

This paper is concerned with combined inference for point processes on the real line observed in a broken interval. For such processes, the classic history-based approach cannot be used. Instead, we adapt tools from sequential spatial point processes. For a range of models, the marginal and

Inverse Gaussian model for small area estimation via Gibbs sampling

African Journals Online (AJOL)

We present a Bayesian method for estimating small area parameters under an inverse Gaussian model. The method is extended to estimate small area parameters for finite populations. The Gibbs sampler is proposed as a mechanism for implementing the Bayesian paradigm. We illustrate the method by application to ...

The Gibbs-Thomson equation for a spherical coherent precipitate with applications to nucleation

International Nuclear Information System (INIS)

Rottman, C.; Voorhees, P.W.; Johnson, W.C.

1988-01-01

The conditions for interfacial thermodynamic equilibrium form the basis for the derivation of a number of basic equations in materials science, including the various forms of the Gibbs-Thomson equation. The equilibrium conditions pertaining to a curved interface in a two-phase fluid system are well-known. In contrast, the conditions for thermodynamic equilibrium at a curved interface in nonhydrostatically stressed solids have only recently been examined. These conditions can be much different from those at a fluid interface and, as a result, the Gibbs-Thomson equation appropriate to coherent solids is likely to be considerably different from that for fluids. In this paper, the authors first derive the conditions necessary for thermodynamic equilibrium at the precipitate-matrix interface of a coherent spherical precipitate. The authors' derivation of these equilibrium conditions includes a correction to the equilibrium conditions of Johnson and Alexander for a spherical precipitate in an isotropic matrix. They then use these conditions to derive the dependence of the interfacial precipitate and matrix concentrations on precipitate radius (Gibbs-Thomson equation) for a such a precipitate. In addition, these relationships are then used to calculate the critical radius for the nucleation of a coherent misfitting precipitate

LA CASA GIBBS Y EL MONOPOLIO SALITRERO PERUANO: 1876-1878

Directory of Open Access Journals (Sweden)

Manuel Ravest Mora

2008-06-01

Full Text Available El objeto de este breve trabajo es mostrar la disposición de Anthony Gibbs & Sons, y de sus filiales, a apoyar el proyecto monopólico salitrero del Perú con recursos monetarios y los manejos de sus directores en la única empresa que, dada su capacidad de elaboración, podía hacerlo fracasar: la Compañía de Salitres y Ferrocarril de Antofagasta, de la que Gibbs era el segundo mayor accionista. Para el gobierno chileno la causa primaria de la guerra de 1879 fue el intento del Perú por monopolizar la producción salitrera. Bolivia, su aliada secreta desde 1873, colaboró arrendándole y vendiéndole sus depósitos de nitrato, e imponiendo a la exportación del salitre un tributo que infringió la condición -estipulada en un Tratado de Límites- bajo la cual Chile le cedió territorio. Su recuperación manu militari inició el conflicto. A partir de la segunda mitad del siglo pasado esta tesis economicista-legalista fue cuestionada en Chile y en el exterior, desplazando el acento causal al reordenamiento de los mercados de materias primas -de las que los beligerantes eran exportadores- a consecuencia de la crisis mundial de la década de 1870.This brief study aims at showing Anthony Gibbs & Sons disposition in supporting the Peruvian monopolistic nitrate project with monetary resources and its Director's influences in the only company which, due its production's capacity, could make the project fail: the Chilean Antofagasta Nitrate and Railway Co. in which Gibbs was the second most important stockholder. According to Chilean government the primary cause of 1879's war was Peru's attempt to monopolize nitrate production. Bolivia, its secret allied since 1873, helped renting and selling him her nitrate fields and imposing a tax on the nitrate exports of the Chilean company in Antofagasta, thus violating the condition stated in a Border Treaty by which Chile had ceded territory. Its recovery through the use of military forcé was the first act

Estimates of Gibbs free energies of formation of chlorinated aliphatic compounds

NARCIS (Netherlands)

Dolfing, Jan; Janssen, Dick B.

1994-01-01

The Gibbs free energy of formation of chlorinated aliphatic compounds was estimated with Mavrovouniotis' group contribution method. The group contribution of chlorine was estimated from the scarce data available on chlorinated aliphatics in the literature, and found to vary somewhat according to the

GibbsCluster: unsupervised clustering and alignment of peptide sequences

DEFF Research Database (Denmark)

Andreatta, Massimo; Alvarez, Bruno; Nielsen, Morten

2017-01-01

motif characterizing each cluster. Several parameters are available to customize cluster analysis, including adjustable penalties for small clusters and overlapping groups and a trash cluster to remove outliers. As an example application, we used the server to deconvolute multiple specificities in large......-scale peptidome data generated by mass spectrometry. The server is available at http://www.cbs.dtu.dk/services/GibbsCluster-2.0....

Determination of standard molar Gibbs energy of formation of Sm6UO12(s)

International Nuclear Information System (INIS)

Sahu, Manjulata; Dash, Smruti

2015-01-01

The standard molar Gibbs energies of formation of Sm 6 UO 12 (s) have been measured using an oxygen concentration cell with yttria stabilized zirconia as solid electrolyte. Δ f G o m (T) for Sm 6 UO 12 (s) has been calculated using the measured and required thermodynamic data from the literature. The calculated Gibbs energy expression in the temperature range 899 to 1127 K can be given as: Δ f G o m (Nd 6 UO 12 , s,T)/(±2.3) kJ∙ mol -1 = -6681 +1.099 (T/K) (899-1127 K)(T/K). (author)

Simultaneous alignment and clustering of peptide data using a Gibbs sampling approach

DEFF Research Database (Denmark)

Andreatta, Massimo; Lund, Ole; Nielsen, Morten

2013-01-01

Motivation: Proteins recognizing short peptide fragments play a central role in cellular signaling. As a result of high-throughput technologies, peptide-binding protein specificities can be studied using large peptide libraries at dramatically lower cost and time. Interpretation of such large...... peptide datasets, however, is a complex task, especially when the data contain multiple receptor binding motifs, and/or the motifs are found at different locations within distinct peptides.Results: The algorithm presented in this article, based on Gibbs sampling, identifies multiple specificities...... of unaligned peptide datasets of variable length. Example applications described in this article include mixtures of binders to different MHC class I and class II alleles, distinct classes of ligands for SH3 domains and sub-specificities of the HLA-A*02:01 molecule.Availability: The Gibbs clustering method...

Gibbs' theorem for open systems with incomplete statistics

International Nuclear Information System (INIS)

Bagci, G.B.

2009-01-01

Gibbs' theorem, which is originally intended for canonical ensembles with complete statistics has been generalized to open systems with incomplete statistics. As a result of this generalization, it is shown that the stationary equilibrium distribution of inverse power law form associated with the incomplete statistics has maximum entropy even for open systems with energy or matter influx. The renormalized entropy definition given in this paper can also serve as a measure of self-organization in open systems described by incomplete statistics.

Standard Gibbs free energies for transfer of actinyl ions at the aqueous/organic solution interface

International Nuclear Information System (INIS)

Kitatsuji, Yoshihiro; Okugaki, Tomohiko; Kasuno, Megumi; Kubota, Hiroki; Maeda, Kohji; Kimura, Takaumi; Yoshida, Zenko; Kihara, Sorin

2011-01-01

Research highlights: → Standard Gibbs free energies for ion-transfer of tri- to hexavalent actinide ions. → Determination is based on distribution method combined with ion-transfer voltammetry. → Organic solvents examined are nitrobenzene, DCE, benzonitrile, acetophenone and NPOE. → Gibbs free energies of U(VI), Np(VI) and Pu(VI) are similar to each other. → Gibbs free energies of Np(V) is very large, comparing with ordinary monovalent cations. - Abstract: Standard Gibbs free energies for transfer (ΔG tr 0 ) of actinyl ions (AnO 2 z+ ; z = 2 or 1; An: U, Np, or Pu) between an aqueous solution and an organic solution were determined based on distribution method combined with voltammetry for ion transfer at the interface of two immiscible electrolyte solutions. The organic solutions examined were nitrobenzene, 1,2-dichloroethane, benzonitrile, acetophenone, and 2-nitrophenyl octyl ether. Irrespective of the type of organic solutions, ΔG tr 0 of UO 2 2+ ,NpO 2 2+ , and PuO 2 2+ were nearly equal to each other and slightly larger than that of Mg 2+ . The ΔG tr 0 of NpO 2 + was extraordinary large compared with those of ordinary monovalent cations. The dependence of ΔG tr 0 of AnO 2 z+ on the type of organic solutions was similar to that of H + or Mg 2+ . The ΔG tr 0 of An 3+ and An 4+ were also discussed briefly.

Uniqueness of Gibbs Measure for Models with Uncountable Set of Spin Values on a Cayley Tree

International Nuclear Information System (INIS)

Eshkabilov, Yu. Kh.; Haydarov, F. H.; Rozikov, U. A.

2013-01-01

We consider models with nearest-neighbor interactions and with the set [0, 1] of spin values, on a Cayley tree of order K ≥ 1. It is known that the ‘splitting Gibbs measures’ of the model can be described by solutions of a nonlinear integral equation. For arbitrary k ≥ 2 we find a sufficient condition under which the integral equation has unique solution, hence under the condition the corresponding model has unique splitting Gibbs measure.

Modeling fixation locations using spatial point processes.

Science.gov (United States)

Barthelmé, Simon; Trukenbrod, Hans; Engbert, Ralf; Wichmann, Felix

2013-10-01

Whenever eye movements are measured, a central part of the analysis has to do with where subjects fixate and why they fixated where they fixated. To a first approximation, a set of fixations can be viewed as a set of points in space; this implies that fixations are spatial data and that the analysis of fixation locations can be beneficially thought of as a spatial statistics problem. We argue that thinking of fixation locations as arising from point processes is a very fruitful framework for eye-movement data, helping turn qualitative questions into quantitative ones. We provide a tutorial introduction to some of the main ideas of the field of spatial statistics, focusing especially on spatial Poisson processes. We show how point processes help relate image properties to fixation locations. In particular we show how point processes naturally express the idea that image features' predictability for fixations may vary from one image to another. We review other methods of analysis used in the literature, show how they relate to point process theory, and argue that thinking in terms of point processes substantially extends the range of analyses that can be performed and clarify their interpretation.

Gibbs Free Energy of Formation for Selected Platinum Group Minerals (PGM

Directory of Open Access Journals (Sweden)

Spiros Olivotos

2016-01-01

Full Text Available Thermodynamic data for platinum group (Os, Ir, Ru, Rh, Pd and Pt minerals are very limited. The present study is focused on the calculation of the Gibbs free energy of formation (ΔfG° for selected PGM occurring in layered intrusions and ophiolite complexes worldwide, applying available experimental data on their constituent elements at their standard state (ΔG = G(species − ΔG(elements, using the computer program HSC Chemistry software 6.0. The evaluation of the accuracy of the calculation method was made by the calculation of (ΔGf of rhodium sulfide phases. The calculated values were found to be ingood agreement with those measured in the binary system (Rh + S as a function of temperature by previous authors (Jacob and Gupta (2014. The calculated Gibbs free energy (ΔfG° followed the order RuS2 < (Ir,OsS2 < (Pt, PdS < (Pd, PtTe2, increasing from compatible to incompatible noble metals and from sulfides to tellurides.

Mechanistic spatio-temporal point process models for marked point processes, with a view to forest stand data

DEFF Research Database (Denmark)

Møller, Jesper; Ghorbani, Mohammad; Rubak, Ege Holger

We show how a spatial point process, where to each point there is associated a random quantitative mark, can be identified with a spatio-temporal point process specified by a conditional intensity function. For instance, the points can be tree locations, the marks can express the size of trees......, and the conditional intensity function can describe the distribution of a tree (i.e., its location and size) conditionally on the larger trees. This enable us to construct parametric statistical models which are easily interpretable and where likelihood-based inference is tractable. In particular, we consider maximum...

Inverse problems with non-trivial priors: efficient solution through sequential Gibbs sampling

DEFF Research Database (Denmark)

Hansen, Thomas Mejer; Cordua, Knud Skou; Mosegaard, Klaus

2012-01-01

Markov chain Monte Carlo methods such as the Gibbs sampler and the Metropolis algorithm can be used to sample solutions to non-linear inverse problems. In principle, these methods allow incorporation of prior information of arbitrary complexity. If an analytical closed form description of the prior...... is available, which is the case when the prior can be described by a multidimensional Gaussian distribution, such prior information can easily be considered. In reality, prior information is often more complex than can be described by the Gaussian model, and no closed form expression of the prior can be given....... We propose an algorithm, called sequential Gibbs sampling, allowing the Metropolis algorithm to efficiently incorporate complex priors into the solution of an inverse problem, also for the case where no closed form description of the prior exists. First, we lay out the theoretical background...

Uniqueness of Gibbs states and global Markov property for Euclidean fields

International Nuclear Information System (INIS)

Albeverio, S.; Hoeegh-Krohn, R.

1981-01-01

The authors briefly discuss the proof of the uniqueness of solutions of the DLR equations (uniqueness of Gibbs states) in the class of regular generalized random fields (in the sense of having second moments bounded by those of some Euclidean field), for the Euclidean fields with trigonometric interaction. (Auth.)

Proposed Empirical Entropy and Gibbs Energy Based on Observations of Scale Invariance in Open Nonequilibrium Systems.

Science.gov (United States)

Tuck, Adrian F

2017-09-07

There is no widely agreed definition of entropy, and consequently Gibbs energy, in open systems far from equilibrium. One recent approach has sought to formulate an entropy and Gibbs energy based on observed scale invariances in geophysical variables, particularly in atmospheric quantities, including the molecules constituting stratospheric chemistry. The Hamiltonian flux dynamics of energy in macroscopic open nonequilibrium systems maps to energy in equilibrium statistical thermodynamics, and corresponding equivalences of scale invariant variables with other relevant statistical mechanical variables such as entropy, Gibbs energy, and 1/(k Boltzmann T), are not just formally analogous but are also mappings. Three proof-of-concept representative examples from available adequate stratospheric chemistry observations-temperature, wind speed and ozone-are calculated, with the aim of applying these mappings and equivalences. Potential applications of the approach to scale invariant observations from the literature, involving scales from molecular through laboratory to astronomical, are considered. Theoretical support for the approach from the literature is discussed.

Testing Local Independence between Two Point Processes

DEFF Research Database (Denmark)

Allard, Denis; Brix, Anders; Chadæuf, Joël

2001-01-01

Independence test, Inhomogeneous point processes, Local test, Monte Carlo, Nonstationary, Rotations, Spatial pattern, Tiger bush......Independence test, Inhomogeneous point processes, Local test, Monte Carlo, Nonstationary, Rotations, Spatial pattern, Tiger bush...

Dew point vs bubble point : a misunderstood constraint on gravity drainage processes

Energy Technology Data Exchange (ETDEWEB)

Nenninger, J. [N-Solv Corp., Calgary, AB (Canada); Gunnewiek, L. [Hatch Ltd., Mississauga, ON (Canada)

2009-07-01

This study demonstrated that gravity drainage processes that use blended fluids such as solvents have an inherently unstable material balance due to differences between dew point and bubble point compositions. The instability can lead to the accumulation of volatile components within the chamber, and impair mass and heat transfer processes. Case studies were used to demonstrate the large temperature gradients within the vapour chamber caused by temperature differences between the bubble point and dew point for blended fluids. A review of published data showed that many experiments on in-situ processes do not account for unstable material balances caused by a lack of steam trap control. A study of temperature profiles during steam assisted gravity drainage (SAGD) studies showed significant temperature depressions caused by methane accumulations at the outside perimeter of the steam chamber. It was demonstrated that the condensation of large volumes of purified solvents provided an efficient mechanism for the removal of methane from the chamber. It was concluded that gravity drainage processes can be optimized by using pure propane during the injection process. 22 refs., 1 tab., 18 figs.

Experimental Determination of Third Derivative of the Gibbs Free Energy, G II

DEFF Research Database (Denmark)

Koga, Yoshikata; Westh, Peter; Inaba, Akira

2010-01-01

We have been evaluating third derivative quantities of the Gibbs free energy, G, by graphically differentiating the second derivatives that are accessible experimentally, and demonstrated their power in elucidating the mixing schemes in aqueous solutions. Here we determine directly one of the third...

The importance of the photosynthetic Gibbs effect in the elucidation of the Calvin-Benson-Bassham cycle.

Science.gov (United States)

Ebenhöh, Oliver; Spelberg, Stephanie

2018-02-19

The photosynthetic carbon reduction cycle, or Calvin-Benson-Bassham (CBB) cycle, is now contained in every standard biochemistry textbook. Although the cycle was already proposed in 1954, it is still the subject of intense research, and even the structure of the cycle, i.e. the exact series of reactions, is still under debate. The controversy about the cycle's structure was fuelled by the findings of Gibbs and Kandler in 1956 and 1957, when they observed that radioactive 14 CO 2 was dynamically incorporated in hexoses in a very atypical and asymmetrical way, a phenomenon later termed the 'photosynthetic Gibbs effect'. Now, it is widely accepted that the photosynthetic Gibbs effect is not in contradiction to the reaction scheme proposed by CBB, but the arguments given have been largely qualitative and hand-waving. To fully appreciate the controversy and to understand the difficulties in interpreting the Gibbs effect, it is illustrative to illuminate the history of the discovery of the CBB cycle. We here give an account of central scientific advances and discoveries, which were essential prerequisites for the elucidation of the cycle. Placing the historic discoveries in the context of the modern textbook pathway scheme illustrates the complexity of the cycle and demonstrates why especially dynamic labelling experiments are far from easy to interpret. We conclude by arguing that it requires sound theoretical approaches to resolve conflicting interpretations and to provide consistent quantitative explanations. © 2018 The Author(s).

Gibbs paradox of entropy of mixing experimental facts. Its rejection, and the theoretical consequences

International Nuclear Information System (INIS)

Lin, Shu-Kun

1996-01-01

Gibbs paradox statement of entropy of mixing has been regarded as the theoretical foundation of statistical mechanics, quantum theory and biophysics. However, all the relevant chemical experimental observations and logical analyses indicate that the Gibbs paradox statement is false. I prove that this statement is wrong: Gibbs paradox statement implies that entropy decreases with the increase in symmetry (as represented by a symmetry number σ; see any statistical mechanics textbook). From group theory any system has at least a symmetry number σ=1 which is the identity operation for a strictly asymmetric system. It follows that the entropy of a system is equal to, or less than, zero. However, from either von Neumann-Shannon entropy formula (S(w) =-Σ ω in p 1 ) or the Boltzmann entropy formula (S = in w) and the original definition, entropy is non-negative. Therefore, this statement is false. It should not be a surprise that for the first time, many outstanding problems such as the validity of Pauling's resonance theory, the explanation of second order phase transition phenomena, the biophysical problem of protein folding and the related hydrophobic effect, etc., can be solved. Empirical principles such as Pauli principle (and Hund's rule) and HSAB principle, etc., can also be given a theoretical explanation

Improved prediction of MHC class I and class II epitopes using a novel Gibbs sampling approach

DEFF Research Database (Denmark)

Nielsen, Morten; Lundegaard, Claus; Worning, Peder

2004-01-01

Prediction of which peptides will bind a specific major histocompatibility complex (MHC) constitutes an important step in identifying potential T-cell epitopes suitable as vaccine candidates. MHC class II binding peptides have a broad length distribution complicating such predictions. Thus......, identifying the correct alignment is a crucial part of identifying the core of an MHC class II binding motif. In this context, we wish to describe a novel Gibbs motif sampler method ideally suited for recognizing such weak sequence motifs. The method is based on the Gibbs sampling method, and it incorporates...

Fixed-point signal processing

CERN Document Server

Padgett, Wayne T

2009-01-01

This book is intended to fill the gap between the ""ideal precision"" digital signal processing (DSP) that is widely taught, and the limited precision implementation skills that are commonly required in fixed-point processors and field programmable gate arrays (FPGAs). These skills are often neglected at the university level, particularly for undergraduates. We have attempted to create a resource both for a DSP elective course and for the practicing engineer with a need to understand fixed-point implementation. Although we assume a background in DSP, Chapter 2 contains a review of basic theory

New Comment on Gibbs Density Surface of Fluid Argon: Revised Critical Parameters, L. V. Woodcock, Int. J. Thermophys. (2014) 35, 1770-1784

Science.gov (United States)

Umirzakov, I. H.

2018-01-01

The author comments on an article by Woodcock (Int J Thermophys 35:1770-1784, 2014), who investigates the idea of a critical line instead of a single critical point using the example of argon. In the introduction, Woodcock states that "The Van der Waals critical point does not comply with the Gibbs phase rule. Its existence is based upon a hypothesis rather than a thermodynamic definition". The present comment is a response to the statement by Woodcock. The comment mathematically demonstrates that a critical point is not only based on a hypothesis that is used to define values of two parameters of the Van der Waals equation of state. Instead, the author argues that a critical point is a direct consequence of the thermodynamic phase equilibrium conditions resulting in a single critical point. It is shown that the thermodynamic conditions result in the first and second partial derivatives of pressure with respect to volume at constant temperature at a critical point equal to zero which are usual conditions of an existence of a critical point.

Shot-noise-weighted processes : a new family of spatial point processes

NARCIS (Netherlands)

M.N.M. van Lieshout (Marie-Colette); I.S. Molchanov (Ilya)

1995-01-01

textabstractThe paper suggests a new family of of spatial point processes distributions. They are defined by means of densities with respect to the Poisson point process within a bounded set. These densities are given in terms of a functional of the shot-noise process with a given influence

Thermodynamics, Gibbs Method and Statistical Physics of Electron Gases Gibbs Method and Statistical Physics of Electron Gases

CERN Document Server

Askerov, Bahram M

2010-01-01

This book deals with theoretical thermodynamics and the statistical physics of electron and particle gases. While treating the laws of thermodynamics from both classical and quantum theoretical viewpoints, it posits that the basis of the statistical theory of macroscopic properties of a system is the microcanonical distribution of isolated systems, from which all canonical distributions stem. To calculate the free energy, the Gibbs method is applied to ideal and non-ideal gases, and also to a crystalline solid. Considerable attention is paid to the Fermi-Dirac and Bose-Einstein quantum statistics and its application to different quantum gases, and electron gas in both metals and semiconductors is considered in a nonequilibrium state. A separate chapter treats the statistical theory of thermodynamic properties of an electron gas in a quantizing magnetic field.

Extensitivity of entropy and modern form of Gibbs paradox

International Nuclear Information System (INIS)

Home, D.; Sengupta, S.

1981-01-01

The extensivity property of entropy is clarified in the light of a critical examination of the entropy formula based on quantum statistics and the relevant thermodynamic requirement. The modern form of the Gibbs paradox, related to the discontinuous jump in entropy due to identity or non-identity of particles, is critically investigated. Qualitative framework of a new resolution of this paradox, which analyses the general effect of distinction mark on the Hamiltonian of a system of identical particles, is outlined. (author)

Excess Gibbs energy for six binary solid solutions of molecularly simple substances

Energy Technology Data Exchange (ETDEWEB)

Lobo, L J; Staveley, L A.K.

1985-01-01

In this paper we apply the method developed in a previous study of Ar + CH/sub 4/ to the evaluation of the excess Gibbs energy G /SUP E.S/ for solid solutions of two molecularly simple components. The method depends on combining information on the excess Gibbs energy G /SUP E.L/ for the liquid mixture of the two components with a knowledge of the (T, x) solid-liquid phase diagram. Certain thermal properties o the pure substances are also needed. G /SUP E.S/ has been calculated for binary mixtures of Ar + Kr, Kr + CH/sub 4/, CO + N/sub 2/, Kr + Xe, Ar + N/sub 2/, and Ar + CO. In general, but not always, the solid mixtures are more non-ideal than the liquid mixtures of the same composition at the same temperature. Except for the Kr + CH/sub 4/ system, the ratio r = G /SUP E.S/ /G /SUP E.L/ is larger the richer the solution in the component with the smaller molecules.

Self-exciting point process in modeling earthquake occurrences

International Nuclear Information System (INIS)

Pratiwi, H.; Slamet, I.; Respatiwulan; Saputro, D. R. S.

2017-01-01

In this paper, we present a procedure for modeling earthquake based on spatial-temporal point process. The magnitude distribution is expressed as truncated exponential and the event frequency is modeled with a spatial-temporal point process that is characterized uniquely by its associated conditional intensity process. The earthquakes can be regarded as point patterns that have a temporal clustering feature so we use self-exciting point process for modeling the conditional intensity function. The choice of main shocks is conducted via window algorithm by Gardner and Knopoff and the model can be fitted by maximum likelihood method for three random variables. (paper)

Comment on "Inference with minimal Gibbs free energy in information field theory".

Science.gov (United States)

Iatsenko, D; Stefanovska, A; McClintock, P V E

2012-03-01

Enßlin and Weig [Phys. Rev. E 82, 051112 (2010)] have introduced a "minimum Gibbs free energy" (MGFE) approach for estimation of the mean signal and signal uncertainty in Bayesian inference problems: it aims to combine the maximum a posteriori (MAP) and maximum entropy (ME) principles. We point out, however, that there are some important questions to be clarified before the new approach can be considered fully justified, and therefore able to be used with confidence. In particular, after obtaining a Gaussian approximation to the posterior in terms of the MGFE at some temperature T, this approximation should always be raised to the power of T to yield a reliable estimate. In addition, we show explicitly that MGFE indeed incorporates the MAP principle, as well as the MDI (minimum discrimination information) approach, but not the well-known ME principle of Jaynes [E.T. Jaynes, Phys. Rev. 106, 620 (1957)]. We also illuminate some related issues and resolve apparent discrepancies. Finally, we investigate the performance of MGFE estimation for different values of T, and we discuss the advantages and shortcomings of the approach.

The Concentration Dependence of the (Delta)s Term in the Gibbs Free Energy Function: Application to Reversible Reactions in Biochemistry

Science.gov (United States)

Gary, Ronald K.

2004-01-01

The concentration dependence of (delta)S term in the Gibbs free energy function is described in relation to its application to reversible reactions in biochemistry. An intuitive and non-mathematical argument for the concentration dependence of the (delta)S term in the Gibbs free energy equation is derived and the applicability of the equation to…

A course on large deviations with an introduction to Gibbs measures

CERN Document Server

Rassoul-Agha, Firas

2015-01-01

This is an introductory course on the methods of computing asymptotics of probabilities of rare events: the theory of large deviations. The book combines large deviation theory with basic statistical mechanics, namely Gibbs measures with their variational characterization and the phase transition of the Ising model, in a text intended for a one semester or quarter course. The book begins with a straightforward approach to the key ideas and results of large deviation theory in the context of independent identically distributed random variables. This includes Cramér's theorem, relative entropy, Sanov's theorem, process level large deviations, convex duality, and change of measure arguments. Dependence is introduced through the interactions potentials of equilibrium statistical mechanics. The phase transition of the Ising model is proved in two different ways: first in the classical way with the Peierls argument, Dobrushin's uniqueness condition, and correlation inequalities and then a second time through the ...

Estimating Function Approaches for Spatial Point Processes

Science.gov (United States)

Deng, Chong

Spatial point pattern data consist of locations of events that are often of interest in biological and ecological studies. Such data are commonly viewed as a realization from a stochastic process called spatial point process. To fit a parametric spatial point process model to such data, likelihood-based methods have been widely studied. However, while maximum likelihood estimation is often too computationally intensive for Cox and cluster processes, pairwise likelihood methods such as composite likelihood, Palm likelihood usually suffer from the loss of information due to the ignorance of correlation among pairs. For many types of correlated data other than spatial point processes, when likelihood-based approaches are not desirable, estimating functions have been widely used for model fitting. In this dissertation, we explore the estimating function approaches for fitting spatial point process models. These approaches, which are based on the asymptotic optimal estimating function theories, can be used to incorporate the correlation among data and yield more efficient estimators. We conducted a series of studies to demonstrate that these estmating function approaches are good alternatives to balance the trade-off between computation complexity and estimating efficiency. First, we propose a new estimating procedure that improves the efficiency of pairwise composite likelihood method in estimating clustering parameters. Our approach combines estimating functions derived from pairwise composite likeli-hood estimation and estimating functions that account for correlations among the pairwise contributions. Our method can be used to fit a variety of parametric spatial point process models and can yield more efficient estimators for the clustering parameters than pairwise composite likelihood estimation. We demonstrate its efficacy through a simulation study and an application to the longleaf pine data. Second, we further explore the quasi-likelihood approach on fitting

SHAPE FROM TEXTURE USING LOCALLY SCALED POINT PROCESSES

Directory of Open Access Journals (Sweden)

Eva-Maria Didden

2015-09-01

Full Text Available Shape from texture refers to the extraction of 3D information from 2D images with irregular texture. This paper introduces a statistical framework to learn shape from texture where convex texture elements in a 2D image are represented through a point process. In a first step, the 2D image is preprocessed to generate a probability map corresponding to an estimate of the unnormalized intensity of the latent point process underlying the texture elements. The latent point process is subsequently inferred from the probability map in a non-parametric, model free manner. Finally, the 3D information is extracted from the point pattern by applying a locally scaled point process model where the local scaling function represents the deformation caused by the projection of a 3D surface onto a 2D image.

Processing Terrain Point Cloud Data

KAUST Repository

DeVore, Ronald

2013-01-10

Terrain point cloud data are typically acquired through some form of Light Detection And Ranging sensing. They form a rich resource that is important in a variety of applications including navigation, line of sight, and terrain visualization. Processing terrain data has not received the attention of other forms of surface reconstruction or of image processing. The goal of terrain data processing is to convert the point cloud into a succinct representation system that is amenable to the various application demands. The present paper presents a platform for terrain processing built on the following principles: (i) measuring distortion in the Hausdorff metric, which we argue is a good match for the application demands, (ii) a multiscale representation based on tree approximation using local polynomial fitting. The basic elements held in the nodes of the tree can be efficiently encoded, transmitted, visualized, and utilized for the various target applications. Several challenges emerge because of the variable resolution of the data, missing data, occlusions, and noise. Techniques for identifying and handling these challenges are developed. © 2013 Society for Industrial and Applied Mathematics.

Work and entropy production in generalised Gibbs ensembles

International Nuclear Information System (INIS)

Perarnau-Llobet, Martí; Riera, Arnau; Gallego, Rodrigo; Wilming, Henrik; Eisert, Jens

2016-01-01

Recent years have seen an enormously revived interest in the study of thermodynamic notions in the quantum regime. This applies both to the study of notions of work extraction in thermal machines in the quantum regime, as well as to questions of equilibration and thermalisation of interacting quantum many-body systems as such. In this work we bring together these two lines of research by studying work extraction in a closed system that undergoes a sequence of quenches and equilibration steps concomitant with free evolutions. In this way, we incorporate an important insight from the study of the dynamics of quantum many body systems: the evolution of closed systems is expected to be well described, for relevant observables and most times, by a suitable equilibrium state. We will consider three kinds of equilibration, namely to (i) the time averaged state, (ii) the Gibbs ensemble and (iii) the generalised Gibbs ensemble, reflecting further constants of motion in integrable models. For each effective description, we investigate notions of entropy production, the validity of the minimal work principle and properties of optimal work extraction protocols. While we keep the discussion general, much room is dedicated to the discussion of paradigmatic non-interacting fermionic quantum many-body systems, for which we identify significant differences with respect to the role of the minimal work principle. Our work not only has implications for experiments with cold atoms, but also can be viewed as suggesting a mindset for quantum thermodynamics where the role of the external heat baths is instead played by the system itself, with its internal degrees of freedom bringing coarse-grained observables to equilibrium. (paper)

The application of computational thermodynamics and a numerical model for the determination of surface tension and Gibbs-Thomson coefficient of aluminum based alloys

International Nuclear Information System (INIS)

Jacome, Paulo A.D.; Landim, Mariana C.; Garcia, Amauri; Furtado, Alexandre F.; Ferreira, Ivaldo L.

2011-01-01

Highlights: → Surface tension and the Gibbs-Thomson coefficient are computed for Al-based alloys. → Butler's scheme and ThermoCalc are used to compute the thermophysical properties. → Predictive cell/dendrite growth models depend on accurate thermophysical properties. → Mechanical properties can be related to the microstructural cell/dendrite spacing. - Abstract: In this paper, a solution for Butler's formulation is presented permitting the surface tension and the Gibbs-Thomson coefficient of Al-based binary alloys to be determined. The importance of Gibbs-Thomson coefficient for binary alloys is related to the reliability of predictions furnished by predictive cellular and dendritic growth models and of numerical computations of solidification thermal variables, which will be strongly dependent on the thermophysical properties assumed for the calculations. A numerical model based on Powell hybrid algorithm and a finite difference Jacobian approximation was coupled to a specific interface of a computational thermodynamics software in order to assess the excess Gibbs energy of the liquid phase, permitting the surface tension and Gibbs-Thomson coefficient for Al-Fe, Al-Ni, Al-Cu and Al-Si hypoeutectic alloys to be calculated. The computed results are presented as a function of the alloy composition.

Experimental Pragmatics and What Is Said: A Response to Gibbs and Moise.

Science.gov (United States)

Nicolle, Steve; Clark, Billy

1999-01-01

Attempted replication of Gibbs and Moise (1997) experiments regarding the recognition of a distinction between what is said and what is implicated. Results showed that, under certain conditions, subject selected implicatures when asked to select the paraphrase best reflecting what a speaker has said. Suggests that results can be explained with the…

Near-Optimal Detection in MIMO Systems using Gibbs Sampling

DEFF Research Database (Denmark)

Hansen, Morten; Hassibi, Babak; Dimakis, Georgios Alexandros

2009-01-01

In this paper we study a Markov Chain Monte Carlo (MCMC) Gibbs sampler for solving the integer least-squares problem. In digital communication the problem is equivalent to preforming Maximum Likelihood (ML) detection in Multiple-Input Multiple-Output (MIMO) systems. While the use of MCMC methods...... sampler provides a computationally efficient way of achieving approximative ML detection in MIMO systems having a huge number of transmit and receive dimensions. In fact, they further suggest that the Markov chain is rapidly mixing. Thus, it has been observed that even in cases were ML detection using, e...

Demonstration and resolution of the Gibbs paradox of the first kind

International Nuclear Information System (INIS)

Peters, Hjalmar

2014-01-01

The Gibbs paradox of the first kind (GP1) refers to the false increase in entropy which, in statistical mechanics, is calculated from the process of combining two gas systems S1 and S2 consisting of distinguishable particles. Presented in a somewhat modified form, the GP1 manifests as a contradiction to the second law of thermodynamics. Contrary to popular belief, this contradiction affects not only classical but also quantum statistical mechanics. This paper resolves the GP1 by considering two effects. (i) The uncertainty about which particles are located in S1 and which in S2 contributes to the entropies of S1 and S2. (ii) S1 and S2 are correlated by the fact that if a certain particle is located in one system, it cannot be located in the other. As a consequence, the entropy of the total system consisting of S1 and S2 is not the sum of the entropies of S1 and S2. (paper)

Transforming spatial point processes into Poisson processes using random superposition

DEFF Research Database (Denmark)

Møller, Jesper; Berthelsen, Kasper Klitgaaard

with a complementary spatial point process Y  to obtain a Poisson process X∪Y  with intensity function β. Underlying this is a bivariate spatial birth-death process (Xt,Yt) which converges towards the distribution of (X,Y). We study the joint distribution of X and Y, and their marginal and conditional distributions....... In particular, we introduce a fast and easy simulation procedure for Y conditional on X. This may be used for model checking: given a model for the Papangelou intensity of the original spatial point process, this model is used to generate the complementary process, and the resulting superposition is a Poisson...... process with intensity function β if and only if the true Papangelou intensity is used. Whether the superposition is actually such a Poisson process can easily be examined using well known results and fast simulation procedures for Poisson processes. We illustrate this approach to model checking...

Equilibrium statistical mechanics for self-gravitating systems: local ergodicity and extended Boltzmann-Gibbs/White-Narayan statistics

Science.gov (United States)

He, Ping

2012-01-01

The long-standing puzzle surrounding the statistical mechanics of self-gravitating systems has not yet been solved successfully. We formulate a systematic theoretical framework of entropy-based statistical mechanics for spherically symmetric collisionless self-gravitating systems. We use an approach that is very different from that of the conventional statistical mechanics of short-range interaction systems. We demonstrate that the equilibrium states of self-gravitating systems consist of both mechanical and statistical equilibria, with the former characterized by a series of velocity-moment equations and the latter by statistical equilibrium equations, which should be derived from the entropy principle. The velocity-moment equations of all orders are derived from the steady-state collisionless Boltzmann equation. We point out that the ergodicity is invalid for the whole self-gravitating system, but it can be re-established locally. Based on the local ergodicity, using Fermi-Dirac-like statistics, with the non-degenerate condition and the spatial independence of the local microstates, we rederive the Boltzmann-Gibbs entropy. This is consistent with the validity of the collisionless Boltzmann equation, and should be the correct entropy form for collisionless self-gravitating systems. Apart from the usual constraints of mass and energy conservation, we demonstrate that the series of moment or virialization equations must be included as additional constraints on the entropy functional when performing the variational calculus; this is an extension to the original prescription by White & Narayan. Any possible velocity distribution can be produced by the statistical-mechanical approach that we have developed with the extended Boltzmann-Gibbs/White-Narayan statistics. Finally, we discuss the questions of negative specific heat and ensemble inequivalence for self-gravitating systems.

The application of computational thermodynamics and a numerical model for the determination of surface tension and Gibbs-Thomson coefficient of aluminum based alloys

Energy Technology Data Exchange (ETDEWEB)

Jacome, Paulo A.D.; Landim, Mariana C. [Department of Mechanical Engineering, Fluminense Federal University, Av. dos Trabalhadores, 420-27255-125 Volta Redonda, RJ (Brazil); Garcia, Amauri, E-mail: amaurig@fem.unicamp.br [Department of Materials Engineering, University of Campinas, UNICAMP, PO Box 6122, 13083-970 Campinas, SP (Brazil); Furtado, Alexandre F.; Ferreira, Ivaldo L. [Department of Mechanical Engineering, Fluminense Federal University, Av. dos Trabalhadores, 420-27255-125 Volta Redonda, RJ (Brazil)

2011-08-20

Highlights: {yields} Surface tension and the Gibbs-Thomson coefficient are computed for Al-based alloys. {yields} Butler's scheme and ThermoCalc are used to compute the thermophysical properties. {yields} Predictive cell/dendrite growth models depend on accurate thermophysical properties. {yields} Mechanical properties can be related to the microstructural cell/dendrite spacing. - Abstract: In this paper, a solution for Butler's formulation is presented permitting the surface tension and the Gibbs-Thomson coefficient of Al-based binary alloys to be determined. The importance of Gibbs-Thomson coefficient for binary alloys is related to the reliability of predictions furnished by predictive cellular and dendritic growth models and of numerical computations of solidification thermal variables, which will be strongly dependent on the thermophysical properties assumed for the calculations. A numerical model based on Powell hybrid algorithm and a finite difference Jacobian approximation was coupled to a specific interface of a computational thermodynamics software in order to assess the excess Gibbs energy of the liquid phase, permitting the surface tension and Gibbs-Thomson coefficient for Al-Fe, Al-Ni, Al-Cu and Al-Si hypoeutectic alloys to be calculated. The computed results are presented as a function of the alloy composition.

Just Another Gibbs Additive Modeler: Interfacing JAGS and mgcv

Directory of Open Access Journals (Sweden)

Simon N. Wood

2016-12-01

Full Text Available The BUGS language offers a very flexible way of specifying complex statistical models for the purposes of Gibbs sampling, while its JAGS variant offers very convenient R integration via the rjags package. However, including smoothers in JAGS models can involve some quite tedious coding, especially for multivariate or adaptive smoothers. Further, if an additive smooth structure is required then some care is needed, in order to centre smooths appropriately, and to find appropriate starting values. R package mgcv implements a wide range of smoothers, all in a manner appropriate for inclusion in JAGS code, and automates centring and other smooth setup tasks. The purpose of this note is to describe an interface between mgcv and JAGS, based around an R function, jagam, which takes a generalized additive model (GAM as specified in mgcv and automatically generates the JAGS model code and data required for inference about the model via Gibbs sampling. Although the auto-generated JAGS code can be run as is, the expectation is that the user would wish to modify it in order to add complex stochastic model components readily specified in JAGS. A simple interface is also provided for visualisation and further inference about the estimated smooth components using standard mgcv functionality. The methods described here will be un-necessarily inefficient if all that is required is fully Bayesian inference about a standard GAM, rather than the full flexibility of JAGS. In that case the BayesX package would be more efficient.

Monte Carlo Molecular Simulation with Isobaric-Isothermal and Gibbs-NPT Ensembles

KAUST Repository

Du, Shouhong

2012-01-01

This thesis presents Monte Carlo methods for simulations of phase behaviors of Lennard-Jones fluids. The isobaric-isothermal (NPT) ensemble and Gibbs-NPT ensemble are introduced in detail. NPT ensemble is employed to determine the phase diagram of pure component. The reduced simulation results are verified by comparison with the equation of state by by Johnson et al. and results with L-J parameters of methane agree considerably with the experiment measurements. We adopt the blocking method for variance estimation and error analysis of the simulation results. The relationship between variance and number of Monte Carlo cycles, error propagation and Random Number Generator performance are also investigated. We review the Gibbs-NPT ensemble employed for phase equilibrium of binary mixture. The phase equilibrium is achieved by performing three types of trial move: particle displacement, volume rearrangement and particle transfer. The simulation models and the simulation details are introduced. The simulation results of phase coexistence for methane and ethane are reported with comparison of the experimental data. Good agreement is found for a wide range of pressures. The contribution of this thesis work lies in the study of the error analysis with respect to the Monte Carlo cycles and number of particles in some interesting aspects.

Monte Carlo Molecular Simulation with Isobaric-Isothermal and Gibbs-NPT Ensembles

KAUST Repository

Du, Shouhong

2012-05-01

This thesis presents Monte Carlo methods for simulations of phase behaviors of Lennard-Jones fluids. The isobaric-isothermal (NPT) ensemble and Gibbs-NPT ensemble are introduced in detail. NPT ensemble is employed to determine the phase diagram of pure component. The reduced simulation results are verified by comparison with the equation of state by by Johnson et al. and results with L-J parameters of methane agree considerably with the experiment measurements. We adopt the blocking method for variance estimation and error analysis of the simulation results. The relationship between variance and number of Monte Carlo cycles, error propagation and Random Number Generator performance are also investigated. We review the Gibbs-NPT ensemble employed for phase equilibrium of binary mixture. The phase equilibrium is achieved by performing three types of trial move: particle displacement, volume rearrangement and particle transfer. The simulation models and the simulation details are introduced. The simulation results of phase coexistence for methane and ethane are reported with comparison of the experimental data. Good agreement is found for a wide range of pressures. The contribution of this thesis work lies in the study of the error analysis with respect to the Monte Carlo cycles and number of particles in some interesting aspects.

Molar Surface Gibbs Energy of the Aqueous Solution of Ionic Liquid [C4mim][Oac

Institute of Scientific and Technical Information of China (English)

TONG Jing; ZHENG Xu; TONG Jian; QU Ye; LIU Lu; LI Hui

2017-01-01

The values of density and surface tension for aqueous solution of ionic liquid(IL) 1-butyl-3-methylimidazolium acetate([C4mim][OAc]) with various molalities were measured in the range of 288.15-318.15 K at intervals of 5 K.On the basis of thermodynamics,a semi-empirical model-molar surface Gibbs energy model of the ionic liquid solution that could be used to predict the surface tension or molar volume of solutions was put forward.The predicted values of the surface tension for aqueous [C4im][OAc] and the corresponding experimental ones were highly correlated and extremely similar.In terms of the concept of the molar Gibbs energy,a new E(o)tv(o)s equation was obtained and each parameter of the new equation has a clear physical meaning.

Scattering analysis of point processes and random measures

International Nuclear Information System (INIS)

Hanisch, K.H.

1984-01-01

In the present paper scattering analysis of point processes and random measures is studied. Known formulae which connect the scattering intensity with the pair distribution function of the studied structures are proved in a rigorous manner with tools of the theory of point processes and random measures. For some special fibre processes the scattering intensity is computed. For a class of random measures, namely for 'grain-germ-models', a new formula is proved which yields the pair distribution function of the 'grain-germ-model' in terms of the pair distribution function of the underlying point process (the 'germs') and of the mean structure factor and the mean squared structure factor of the particles (the 'grains'). (author)

How Does the Gibbs Inequality Condition Affect the Stability and Detachment of Floating Spheres from the Free Surface of Water?

Science.gov (United States)

Feng, Dong-xia; Nguyen, Anh V

2016-03-01

Floating objects on the air-water interfaces are central to a number of everyday activities, from walking on water by insects to flotation separation of valuable minerals using air bubbles. The available theories show that a fine sphere can float if the force of surface tension and buoyancies can support the sphere at the interface with an apical angle subtended by the circle of contact being larger than the contact angle. Here we show that the pinning of the contact line at the sharp edge, known as the Gibbs inequality condition, also plays a significant role in controlling the stability and detachment of floating spheres. Specifically, we truncated the spheres with different angles and used a force sensor device to measure the force of pushing the truncated spheres from the interface into water. We also developed a theoretical modeling to calculate the pushing force that in combination with experimental results shows different effects of the Gibbs inequality condition on the stability and detachment of the spheres from the water surface. For small angles of truncation, the Gibbs inequality condition does not affect the sphere detachment, and hence the classical theories on the floatability of spheres are valid. For large truncated angles, the Gibbs inequality condition determines the tenacity of the particle-meniscus contact and the stability and detachment of floating spheres. In this case, the classical theories on the floatability of spheres are no longer valid. A critical truncated angle for the transition from the classical to the Gibbs inequality regimes of detachment was also established. The outcomes of this research advance our understanding of the behavior of floating objects, in particular, the flotation separation of valuable minerals, which often contain various sharp edges of their crystal faces.

Point cloud processing for smart systems

Directory of Open Access Journals (Sweden)

Jaromír Landa

2013-01-01

Full Text Available High population as well as the economical tension emphasises the necessity of effective city management – from land use planning to urban green maintenance. The management effectiveness is based on precise knowledge of the city environment. Point clouds generated by mobile and terrestrial laser scanners provide precise data about objects in the scanner vicinity. From these data pieces the state of the roads, buildings, trees and other objects important for this decision-making process can be obtained. Generally, they can support the idea of “smart” or at least “smarter” cities.Unfortunately the point clouds do not provide this type of information automatically. It has to be extracted. This extraction is done by expert personnel or by object recognition software. As the point clouds can represent large areas (streets or even cities, usage of expert personnel to identify the required objects can be very time-consuming, therefore cost ineffective. Object recognition software allows us to detect and identify required objects semi-automatically or automatically.The first part of the article reviews and analyses the state of current art point cloud object recognition techniques. The following part presents common formats used for point cloud storage and frequently used software tools for point cloud processing. Further, a method for extraction of geospatial information about detected objects is proposed. Therefore, the method can be used not only to recognize the existence and shape of certain objects, but also to retrieve their geospatial properties. These objects can be later directly used in various GIS systems for further analyses.

The thermodynamic properties of the upper continental crust: Exergy, Gibbs free energy and enthalpy

International Nuclear Information System (INIS)

Valero, Alicia; Valero, Antonio; Vieillard, Philippe

2012-01-01

This paper shows a comprehensive database of the thermodynamic properties of the most abundant minerals of the upper continental crust. For those substances whose thermodynamic properties are not listed in the literature, their enthalpy and Gibbs free energy are calculated with 11 different estimation methods described in this study, with associated errors of up to 10% with respect to values published in the literature. Thanks to this procedure we have been able to make a first estimation of the enthalpy, Gibbs free energy and exergy of the bulk upper continental crust and of each of the nearly 300 most abundant minerals contained in it. Finally, the chemical exergy of the continental crust is compared to the exergy of the concentrated mineral resources. The numbers obtained indicate the huge chemical exergy wealth of the crust: 6 × 10 6 Gtoe. However, this study shows that approximately only 0.01% of that amount can be effectively used by man.

Chemical Disequilibria and Sources of Gibbs Free Energy Inside Enceladus

Science.gov (United States)

Zolotov, M. Y.

2010-12-01

Non-photosynthetic organisms use chemical disequilibria in the environment to gain metabolic energy from enzyme catalyzed oxidation-reduction (redox) reactions. The presence of carbon dioxide, ammonia, formaldehyde, methanol, methane and other hydrocarbons in the eruptive plume of Enceladus [1] implies diverse redox disequilibria in the interior. In the history of the moon, redox disequilibria could have been activated through melting of a volatile-rich ice and following water-rock-organic interactions. Previous and/or present aqueous processes are consistent with the detection of NaCl and Na2CO3/NaHCO3-bearing grains emitted from Enceladus [2]. A low K/Na ratio in the grains [2] and a low upper limit for N2 in the plume [3] indicate low temperature (possibly enzymes if organisms were (are) present. The redox conditions in aqueous systems and amounts of available Gibbs free energy should have been affected by the production, consumption and escape of hydrogen. Aqueous oxidation of minerals (Fe-Ni metal, Fe-Ni phosphides, etc.) accreted on Enceladus should have led to H2 production, which is consistent with H2 detection in the plume [1]. Numerical evaluations based on concentrations of plume gases [1] reveal sufficient energy sources available to support metabolically diverse life at a wide range of activities (a) of dissolved H2 (log aH2 from 0 to -10). Formaldehyde, carbon dioxide [c.f. 4], HCN (if it is present), methanol, acetylene and other hydrocarbons have the potential to react with H2 to form methane. Aqueous hydrogenations of acetylene, HCN and formaldehyde to produce methanol are energetically favorable as well. Both favorable hydrogenation and hydration of HCN lead to formation of ammonia. Condensed organic species could also participate in redox reactions. Methane and ammonia are the final products of these putative redox transformations. Sulfates may have not formed in cold and/or short-term aqueous environments with a limited H2 escape. In contrast to

Martin Gibbs (1922-2006): Pioneer of (14)C research, sugar metabolism & photosynthesis; vigilant Editor-in-Chief of Plant Physiology; sage Educator; and humanistic Mentor.

Science.gov (United States)

Black, Clanton C

2008-01-01

The very personal touch of Professor Martin Gibbs as a worldwide advocate for photosynthesis and plant physiology was lost with his death in July 2006. Widely known for his engaging humorous personality and his humanitarian lifestyle, Martin Gibbs excelled as a strong international science diplomat; like a personal science family patriarch encouraging science and plant scientists around the world. Immediately after World War II he was a pioneer at the Brookhaven National Laboratory in the use of (14)C to elucidate carbon flow in metabolism and particularly carbon pathways in photosynthesis. His leadership on carbon metabolism and photosynthesis extended for four decades of working in collaboration with a host of students and colleagues. In 1962, he was selected as the Editor-in-Chief of Plant Physiology. That appointment initiated 3 decades of strong directional influences by Gibbs on plant research and photosynthesis. Plant Physiology became and remains a premier source of new knowledge about the vital and primary roles of plants in earth's environmental history and the energetics of our green-blue planet. His leadership and charismatic humanitarian character became the quintessence of excellence worldwide. Martin Gibbs was in every sense the personification of a model mentor not only for scientists but also shown in devotion to family. Here we pay tribute and honor to an exemplary humanistic mentor, Martin Gibbs.

Oxygen concentration cell for the measurements of the standard molar Gibbs energy of formation of Nd6UO12(s)

International Nuclear Information System (INIS)

Sahu, Manjulata; Dash, Smruti

2011-01-01

The standard molar Gibbs energies of formation of Nd 6 UO 12 (s) have been measured using an oxygen concentration cell with yttria stabilized zirconia as solid electrolyte. Δ f G m o (T) for Nd 6 UO 12 (s) has been calculated using the measured and required thermodynamic data from the literature. The calculated Gibbs energy expression can be given as: Δ f G m o (Nd 6 UO 12 , s,T)/(± 2.3) kJmol -1 = -6660.1+1.0898 (T/K). (author)

Specification and comparative calculation of enthalpies and Gibbs formation energies of anhydrous lanthanide nitrates

International Nuclear Information System (INIS)

Del' Pino, Kh.; Chukurov, P.M.; Drakin, S.I.

1980-01-01

Analyzed are the results of experimental depermination of formation enthalpies of waterless nitrates of lanthane cerium, praseodymium, neodymium and samarium. Using method of comparative calculation computed are enthalpies of formation of waterless lanthanide and yttrium nitrates. Calculated values of enthalpies and Gibbs energies of waterless lanthanide nitrate formation are tabulated

Weak convergence of marked point processes generated by crossings of multivariate jump processes

DEFF Research Database (Denmark)

Tamborrino, Massimiliano; Sacerdote, Laura; Jacobsen, Martin

2014-01-01

We consider the multivariate point process determined by the crossing times of the components of a multivariate jump process through a multivariate boundary, assuming to reset each component to an initial value after its boundary crossing. We prove that this point process converges weakly...... process converging to a multivariate Ornstein–Uhlenbeck process is discussed as a guideline for applying diffusion limits for jump processes. We apply our theoretical findings to neural network modeling. The proposed model gives a mathematical foundation to the generalization of the class of Leaky...

Gibbs Free Energy of Hydrolytic Water Molecule in Acyl-Enzyme Intermediates of a Serine Protease: A Potential Application for Computer-Aided Discovery of Mechanism-Based Reversible Covalent Inhibitors.

Science.gov (United States)

Masuda, Yosuke; Yamaotsu, Noriyuki; Hirono, Shuichi

2017-01-01

In order to predict the potencies of mechanism-based reversible covalent inhibitors, the relationships between calculated Gibbs free energy of hydrolytic water molecule in acyl-trypsin intermediates and experimentally measured catalytic rate constants (k cat ) were investigated. After obtaining representative solution structures by molecular dynamics (MD) simulations, hydration thermodynamics analyses using WaterMap™ were conducted. Consequently, we found for the first time that when Gibbs free energy of the hydrolytic water molecule was lower, logarithms of k cat were also lower. The hydrolytic water molecule with favorable Gibbs free energy may hydrolyze acylated serine slowly. Gibbs free energy of hydrolytic water molecule might be a useful descriptor for computer-aided discovery of mechanism-based reversible covalent inhibitors of hydrolytic enzymes.

Excess Gibbs Energy for Ternary Lattice Solutions of Nonrandom Mixing

Energy Technology Data Exchange (ETDEWEB)

Jung, Hae Young [DukSung Womens University, Seoul (Korea, Republic of)

2008-12-15

It is assumed for three components lattice solution that the number of ways of arranging particles randomly on the lattice follows a normal distribution of a linear combination of N{sub 12}, N{sub 23}, N{sub 13} which are the number of the nearest neighbor interactions between different molecules. It is shown by random number simulations that this assumption is reasonable. From this distribution, an approximate equation for the excess Gibbs energy of three components lattice solution is derived. Using this equation, several liquid-vapor equilibria are calculated and compared with the results from other equations.

Reduction efficiency prediction of CENIBRA's recovery boiler by direct minimization of gibbs free energy

Directory of Open Access Journals (Sweden)

W. L. Silva

2008-09-01

Full Text Available The reduction efficiency is an important variable during the black liquor burning process in the Kraft recovery boiler. This variable value is obtained by slow experimental routines and the delay of this measure disturbs the pulp and paper industry customary control. This paper describes an optimization approach for the reduction efficiency determination in the furnace bottom of the recovery boiler based on the minimization of the Gibbs free energy. The industrial data used in this study were directly obtained from CENIBRA's data acquisition system. The resulting approach is able to predict the steady state behavior of the chemical composition of the furnace recovery boiler, - especially the reduction efficiency when different operational conditions are used. This result confirms the potential of this approach in the analysis of the daily operation of the recovery boiler.

Screening disrupted molecular functions and pathways associated with clear cell renal cell carcinoma using Gibbs sampling.

Science.gov (United States)

Nan, Ning; Chen, Qi; Wang, Yu; Zhai, Xu; Yang, Chuan-Ce; Cao, Bin; Chong, Tie

2017-10-01

To explore the disturbed molecular functions and pathways in clear cell renal cell carcinoma (ccRCC) using Gibbs sampling. Gene expression data of ccRCC samples and adjacent non-tumor renal tissues were recruited from public available database. Then, molecular functions of expression changed genes in ccRCC were classed to Gene Ontology (GO) project, and these molecular functions were converted into Markov chains. Markov chain Monte Carlo (MCMC) algorithm was implemented to perform posterior inference and identify probability distributions of molecular functions in Gibbs sampling. Differentially expressed molecular functions were selected under posterior value more than 0.95, and genes with the appeared times in differentially expressed molecular functions ≥5 were defined as pivotal genes. Functional analysis was employed to explore the pathways of pivotal genes and their strongly co-regulated genes. In this work, we obtained 396 molecular functions, and 13 of them were differentially expressed. Oxidoreductase activity showed the highest posterior value. Gene composition analysis identified 79 pivotal genes, and survival analysis indicated that these pivotal genes could be used as a strong independent predictor of poor prognosis in patients with ccRCC. Pathway analysis identified one pivotal pathway - oxidative phosphorylation. We identified the differentially expressed molecular functions and pivotal pathway in ccRCC using Gibbs sampling. The results could be considered as potential signatures for early detection and therapy of ccRCC. Copyright © 2017 Elsevier Ltd. All rights reserved.

Psychoanalytic Interpretation of Blueberries by Susan Gibb

Directory of Open Access Journals (Sweden)

Maya Zalbidea Paniagua

2014-06-01

Full Text Available Blueberries (2009 by Susan Gibb, published in the ELO (Electronic Literature Organization, invites the reader to travel inside the protagonist’s mind to discover real and imaginary experiences examining notions of gender, sex, body and identity of a traumatised woman. This article explores the verbal and visual modes in this digital short fiction following semiotic patterns as well as interpreting the psychological states that are expressed through poetical and technological components. A comparative study of the consequences of trauma in the protagonist will be developed including psychoanalytic theories by Sigmund Freud, Jacques Lacan and the feminist psychoanalysts: Melanie Klein and Bracha Ettinger. The reactions of the protagonist will be studied: loss of reality, hallucinations and Electra Complex, as well as the rise of defence mechanisms and her use of the artistic creativity as a healing therapy. The interactivity of the hypermedia, multiple paths and endings will be analyzed as a literary strategy that increases the reader’s capacity of empathizing with the speaker.

Gibbs Ensemble Simulation on Polarizable Models: Vapor-liquid Equilibrium in Baranyai-Kiss Models of Water

Czech Academy of Sciences Publication Activity Database

Moučka, F.; Nezbeda, Ivo

2013-01-01

Roč. 360, DEC 25 (2013), s. 472-476 ISSN 0378-3812 Grant - others:GA MŠMT(CZ) LH12019 Institutional support: RVO:67985858 Keywords : multi-particle move monte carlo * Gibbs ensemble * vapor-liquid-equilibria Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.241, year: 2013

A Bayesian approach to PET reconstruction using image-modeling Gibbs priors: Implementation and comparison

International Nuclear Information System (INIS)

Chan, M.T.; Herman, G.T.; Levitan, E.

1996-01-01

We demonstrate that (i) classical methods of image reconstruction from projections can be improved upon by considering the output of such a method as a distorted version of the original image and applying a Bayesian approach to estimate from it the original image (based on a model of distortion and on a Gibbs distribution as the prior) and (ii) by selecting an open-quotes image-modelingclose quotes prior distribution (i.e., one which is such that it is likely that a random sample from it shares important characteristics of the images of the application area) one can improve over another Gibbs prior formulated using only pairwise interactions. We illustrate our approach using simulated Positron Emission Tomography (PET) data from realistic brain phantoms. Since algorithm performance ultimately depends on the diagnostic task being performed. we examine a number of different medically relevant figures of merit to give a fair comparison. Based on a training-and-testing evaluation strategy, we demonstrate that statistically significant improvements can be obtained using the proposed approach

A tutorial on Palm distributions for spatial point processes

DEFF Research Database (Denmark)

Coeurjolly, Jean-Francois; Møller, Jesper; Waagepetersen, Rasmus Plenge

2017-01-01

This tutorial provides an introduction to Palm distributions for spatial point processes. Initially, in the context of finite point processes, we give an explicit definition of Palm distributions in terms of their density functions. Then we review Palm distributions in the general case. Finally, we...

Parametric methods for spatial point processes

DEFF Research Database (Denmark)

Møller, Jesper

is studied in Section 4, and Bayesian inference in Section 5. On one hand, as the development in computer technology and computational statistics continues,computationally-intensive simulation-based methods for likelihood inference probably will play a increasing role for statistical analysis of spatial...... inference procedures for parametric spatial point process models. The widespread use of sensible but ad hoc methods based on summary statistics of the kind studied in Chapter 4.3 have through the last two decades been supplied by likelihood based methods for parametric spatial point process models......(This text is submitted for the volume ‘A Handbook of Spatial Statistics' edited by A.E. Gelfand, P. Diggle, M. Fuentes, and P. Guttorp, to be published by Chapmand and Hall/CRC Press, and planned to appear as Chapter 4.4 with the title ‘Parametric methods'.) 1 Introduction This chapter considers...

Determinantal point process models on the sphere

DEFF Research Database (Denmark)

Møller, Jesper; Nielsen, Morten; Porcu, Emilio

defined on Sd × Sd . We review the appealing properties of such processes, including their specific moment properties, density expressions and simulation procedures. Particularly, we characterize and construct isotropic DPPs models on Sd , where it becomes essential to specify the eigenvalues......We consider determinantal point processes on the d-dimensional unit sphere Sd . These are finite point processes exhibiting repulsiveness and with moment properties determined by a certain determinant whose entries are specified by a so-called kernel which we assume is a complex covariance function...... and eigenfunctions in a spectral representation for the kernel, and we figure out how repulsive isotropic DPPs can be. Moreover, we discuss the shortcomings of adapting existing models for isotropic covariance functions and consider strategies for developing new models, including a useful spectral approach....

Non-parametric Bayesian inference for inhomogeneous Markov point processes

DEFF Research Database (Denmark)

Berthelsen, Kasper Klitgaard; Møller, Jesper; Johansen, Per Michael

is a shot noise process, and the interaction function for a pair of points depends only on the distance between the two points and is a piecewise linear function modelled by a marked Poisson process. Simulation of the resulting posterior using a Metropolis-Hastings algorithm in the "conventional" way...

Statistical aspects of determinantal point processes

DEFF Research Database (Denmark)

Lavancier, Frédéric; Møller, Jesper; Rubak, Ege

The statistical aspects of determinantal point processes (DPPs) seem largely unexplored. We review the appealing properties of DDPs, demonstrate that they are useful models for repulsiveness, detail a simulation procedure, and provide freely available software for simulation and statistical infer...

Post-Processing in the Material-Point Method

DEFF Research Database (Denmark)

Andersen, Søren; Andersen, Lars Vabbersgaard

The material-point method (MPM) is a numerical method for dynamic or static analysis of solids using a discretization in time and space. The method has shown to be successful in modelling physical problems involving large deformations, which are difficult to model with traditional numerical tools...... such as the finite element method. In the material-point method, a set of material points is utilized to track the problem in time and space, while a computational background grid is utilized to obtain spatial derivatives relevant to the physical problem. Currently, the research within the material-point method......-point method. The first idea involves associating a volume with each material point and displaying the deformation of this volume. In the discretization process, the physical domain is divided into a number of smaller volumes each represented by a simple shape; here quadrilaterals are chosen for the presented...

Using Graphs of Gibbs Energy versus Temperature in General Chemistry Discussions of Phase Changes and Colligative Properties

Science.gov (United States)

Hanson, Robert M.; Riley, Patrick; Schwinefus, Jeff; Fischer, Paul J.

2008-01-01

The use of qualitative graphs of Gibbs energy versus temperature is described in the context of chemical demonstrations involving phase changes and colligative properties at the general chemistry level. (Contains 5 figures and 1 note.)

Point processes and the position distribution of infinite boson systems

International Nuclear Information System (INIS)

Fichtner, K.H.; Freudenberg, W.

1987-01-01

It is shown that to each locally normal state of a boson system one can associate a point process that can be interpreted as the position distribution of the state. The point process contains all information one can get by position measurements and is determined by the latter. On the other hand, to each so-called Σ/sup c/-point process Q they relate a locally normal state with position distribution Q

Algunas Precisiones en torno a las funciones termodinámicas energía libre de Gibbs

OpenAIRE

Solaz Portolés, Joan Josep; Quílez Pardo, Juan

2001-01-01

The aim of this study is to elucidate some didactic misundertandings related with the use and the appli cability of the delta functions ∆G, ∆rG and ∆rG0, which derive from the thermodynamic potential Gibbs Free Energy, G.

PROCESSING UAV AND LIDAR POINT CLOUDS IN GRASS GIS

Directory of Open Access Journals (Sweden)

V. Petras

2016-06-01

Full Text Available Today’s methods of acquiring Earth surface data, namely lidar and unmanned aerial vehicle (UAV imagery, non-selectively collect or generate large amounts of points. Point clouds from different sources vary in their properties such as number of returns, density, or quality. We present a set of tools with applications for different types of points clouds obtained by a lidar scanner, structure from motion technique (SfM, and a low-cost 3D scanner. To take advantage of the vertical structure of multiple return lidar point clouds, we demonstrate tools to process them using 3D raster techniques which allow, for example, the development of custom vegetation classification methods. Dense point clouds obtained from UAV imagery, often containing redundant points, can be decimated using various techniques before further processing. We implemented and compared several decimation techniques in regard to their performance and the final digital surface model (DSM. Finally, we will describe the processing of a point cloud from a low-cost 3D scanner, namely Microsoft Kinect, and its application for interaction with physical models. All the presented tools are open source and integrated in GRASS GIS, a multi-purpose open source GIS with remote sensing capabilities. The tools integrate with other open source projects, specifically Point Data Abstraction Library (PDAL, Point Cloud Library (PCL, and OpenKinect libfreenect2 library to benefit from the open source point cloud ecosystem. The implementation in GRASS GIS ensures long term maintenance and reproducibility by the scientific community but also by the original authors themselves.

Zoeal morphology of Pachygrapsus transversus (Gibbes (Decapoda, Grapsidae reared in the laboratory

Directory of Open Access Journals (Sweden)

Ana Luiza Brossi-Garcia

1997-12-01

Full Text Available Ovigerous females of Pachygrapsus transversus (Gibbes, 1850 were collected on the Praia Dura and Saco da Ribeira beaches, Ubatuba, São Paulo, Brazil. Larvae were individually reared in a climatic room at 25ºC temperature, salinities of 28, 32 and 35‰ and under natural photoperiod conditions. The best rearing results were observed at 35%o salinity. Seven zoeal instars were observed, drawing and described in detail. The data are compared with those obtained for P. gracilis (Saussure, 1858.

Statistical properties of several models of fractional random point processes

Science.gov (United States)

Bendjaballah, C.

2011-08-01

Statistical properties of several models of fractional random point processes have been analyzed from the counting and time interval statistics points of view. Based on the criterion of the reduced variance, it is seen that such processes exhibit nonclassical properties. The conditions for these processes to be treated as conditional Poisson processes are examined. Numerical simulations illustrate part of the theoretical calculations.

Solid oxide galvanic cell for determination of Gibbs energy of formation of Tb6UO12(s)

International Nuclear Information System (INIS)

Sahu, Manjulata; Dash, Smruti

2013-01-01

Citrate-nitrate combustion method was used to synthesise Tb 6 UO 12 (s). Gibbs energy of formation of Tb 6 UO 12 (s) was measured using solid oxide galvanic cell in the temperature range 957-1175 K. (author)

Standard Gibbs energies of formation and equilibrium constants from ab-initio calculations: Covalent dimerization of NO2 and synthesis of NH3

International Nuclear Information System (INIS)

Awasthi, Neha; Ritschel, Thomas; Lipowsky, Reinhard; Knecht, Volker

2013-01-01

Highlights: • ΔG and K eq for NO 2 dimerization and NH 3 synthesis calculated via ab-initio methods. • Vis-á-vis experiments, W1 and CCSD(T) are accurate and G3B3 also does quite well. • CBS-APNO most accurate for NH 3 reaction but shows limitations in modeling NO 2 . • Temperature dependence of ΔG and K eq is calculated for the NH 3 reaction. • Good agreement of calculated K eq with experiments and the van’t Hoff approximation. -- Abstract: Standard quantum chemical methods are used for accurate calculation of thermochemical properties such as enthalpies of formation, entropies and Gibbs energies of formation. Equilibrium reactions are widely investigated and experimental measurements often lead to a range of reaction Gibbs energies and equilibrium constants. It is useful to calculate these equilibrium properties from quantum chemical methods in order to address the experimental differences. Furthermore, most standard calculation methods differ in accuracy and feasibility of the system size. Hence, a systematic comparison of equilibrium properties calculated with different numerical algorithms would provide a useful reference. We select two well-known gas phase equilibrium reactions with small molecules: covalent dimer formation of NO 2 (2NO 2 ⇌ N 2 O 4 ) and the synthesis of NH 3 (N 2 + 3 H 2 ⇌ 2NH 3 ). We test four quantum chemical methods denoted by G3B3, CBS-APNO, W1 and CCSD(T) with aug-cc-pVXZ basis sets (X = 2, 3, and 4), to obtain thermochemical data for NO 2 , N 2 O 4 , and NH 3 . The calculated standard formation Gibbs energies Δ f G° are used to calculate standard reaction Gibbs energies Δ r G° and standard equilibrium constants K eq for the two reactions. Standard formation enthalpies Δ f H° are calculated in a more reliable way using high-level methods such as W1 and CCSD(T). Standard entropies S° for the molecules are calculated well within the range of experiments for all methods, however, the values of standard formation

Calculation of Gibbs energy of Zr-Al-Ni, Zr-Al-Cu, Al-Ni-Cu and Zr-Al-Ni-Cu liquid alloys based on quasiregular solution model

International Nuclear Information System (INIS)

Li, H.Q.; Yang, Y.S.; Tong, W.H.; Wang, Z.Y.

2007-01-01

With the effects of electronic structure and atomic size being introduced, the mixing enthalpy as well as the Gibbs energy of the ternary Zr-Al-Cu, Ni-Al-Cu, Zr-Ni-Al and quaternary Zr-Al-Ni-Cu systems are calculated based on quasiregular solution model. The computed results agree well with the experimental data. The sequence of Gibbs energies of different systems is: G Zr-Al-Ni-Cu Zr-Al-Ni Zr-Al-Cu Cu-Al-Ni . To Zr-Al-Cu, Ni-Al-Cu and Zr-Ni-Al, the lowest Gibbs energy locates in the composition range of X Zr 0.39-0.61, X Al = 0.38-0.61; X Ni = 0.39-0.61, X Al = 0.38-0.60 and X Zr = 0.32-0.67, X Al = 0.32-0.66, respectively. And to the Zr-Ni-Al-Cu system with 66.67% Zr, the lowest Gibbs energy is obtained in the region of X Al = 0.63-0.80, X Ni = 0.14-0.24

Extreme values, regular variation and point processes

CERN Document Server

Resnick, Sidney I

1987-01-01

Extremes Values, Regular Variation and Point Processes is a readable and efficient account of the fundamental mathematical and stochastic process techniques needed to study the behavior of extreme values of phenomena based on independent and identically distributed random variables and vectors It presents a coherent treatment of the distributional and sample path fundamental properties of extremes and records It emphasizes the core primacy of three topics necessary for understanding extremes the analytical theory of regularly varying functions; the probabilistic theory of point processes and random measures; and the link to asymptotic distribution approximations provided by the theory of weak convergence of probability measures in metric spaces The book is self-contained and requires an introductory measure-theoretic course in probability as a prerequisite Almost all sections have an extensive list of exercises which extend developments in the text, offer alternate approaches, test mastery and provide for enj...

A MARKED POINT PROCESS MODEL FOR VEHICLE DETECTION IN AERIAL LIDAR POINT CLOUDS

Directory of Open Access Journals (Sweden)

A. Börcs

2012-07-01

Full Text Available In this paper we present an automated method for vehicle detection in LiDAR point clouds of crowded urban areas collected from an aerial platform. We assume that the input cloud is unordered, but it contains additional intensity and return number information which are jointly exploited by the proposed solution. Firstly, the 3-D point set is segmented into ground, vehicle, building roof, vegetation and clutter classes. Then the points with the corresponding class labels and intensity values are projected to the ground plane, where the optimal vehicle configuration is described by a Marked Point Process (MPP model of 2-D rectangles. Finally, the Multiple Birth and Death algorithm is utilized to find the configuration with the highest confidence.

Phase relations and Gibbs energies of spinel phases and solid solutions in the system Mg-Rh-O

Energy Technology Data Exchange (ETDEWEB)

Jacob, K.T., E-mail: katob@materials.iisc.ernet.in [Department of Materials Engineering, Indian Institute of Science, Bangalore 560 012 (India); Prusty, Debadutta [Department of Materials Engineering, Indian Institute of Science, Bangalore 560 012 (India); Kale, G.M. [Institute for Materials Research, University of Leeds, Leeds, LS2 9JT (United Kingdom)

2012-02-05

Highlights: Black-Right-Pointing-Pointer Refinement of phase diagram for the system Mg-Rh-O and thermodynamic data for spinel compounds MgRh{sub 2}O{sub 4} and Mg{sub 2}RhO{sub 4} is presented. Black-Right-Pointing-Pointer A solid-state electrochemical cell is used for thermodynamic measurement. Black-Right-Pointing-Pointer An advanced design of the solid-state electrochemical cell incorporating buffer electrodes is deployed to minimize polarization of working electrode. Black-Right-Pointing-Pointer Regular solution model for the spinel solid solution MgRh{sub 2}O{sub 4} - Mg{sub 2}RhO{sub 4} based on ideal mixing of cations on the octahedral site is proposed. Black-Right-Pointing-Pointer Factors responsible for stabilization of tetravalent rhodium in spinel compounds are identified. - Abstract: Pure stoichiometric MgRh{sub 2}O{sub 4} could not be prepared by solid state reaction from an equimolar mixture of MgO and Rh{sub 2}O{sub 3} in air. The spinel phase formed always contained excess of Mg and traces of Rh or Rh{sub 2}O{sub 3}. The spinel phase can be considered as a solid solution of Mg{sub 2}RhO{sub 4} in MgRh{sub 2}O{sub 4}. The compositions of the spinel solid solution in equilibrium with different phases in the ternary system Mg-Rh-O were determined by electron probe microanalysis. The oxygen potential established by the equilibrium between Rh + MgO + Mg{sub 1+x}Rh{sub 2-x}O{sub 4} was measured as a function of temperature using a solid-state cell incorporating yttria-stabilized zirconia as an electrolyte and pure oxygen at 0.1 MPa as the reference electrode. To avoid polarization of the working electrode during the measurements, an improved design of the cell with a buffer electrode was used. The standard Gibbs energies of formation of MgRh{sub 2}O{sub 4} and Mg{sub 2}RhO{sub 4} were deduced from the measured electromotive force (e.m.f.) by invoking a model for the spinel solid solution. The parameters of the model were optimized using the measured

Influence of Wilbraham-Gibbs Phenomenon on Digital Stochastic Measurement of EEG Signal Over an Interval

Directory of Open Access Journals (Sweden)

Sovilj P.

2014-10-01

Full Text Available Measurement methods, based on the approach named Digital Stochastic Measurement, have been introduced, and several prototype and small-series commercial instruments have been developed based on these methods. These methods have been mostly investigated for various types of stationary signals, but also for non-stationary signals. This paper presents, analyzes and discusses digital stochastic measurement of electroencephalography (EEG signal in the time domain, emphasizing the problem of influence of the Wilbraham-Gibbs phenomenon. The increase of measurement error, related to the Wilbraham-Gibbs phenomenon, is found. If the EEG signal is measured and measurement interval is 20 ms wide, the average maximal error relative to the range of input signal is 16.84 %. If the measurement interval is extended to 2s, the average maximal error relative to the range of input signal is significantly lowered - down to 1.37 %. Absolute errors are compared with the error limit recommended by Organisation Internationale de Métrologie Légale (OIML and with the quantization steps of the advanced EEG instruments with 24-bit A/D conversion

Ergodic time-reversible chaos for Gibbs' canonical oscillator

International Nuclear Information System (INIS)

Hoover, William Graham; Sprott, Julien Clinton; Patra, Puneet Kumar

2015-01-01

Nosé's pioneering 1984 work inspired a variety of time-reversible deterministic thermostats. Though several groups have developed successful doubly-thermostated models, single-thermostat models have failed to generate Gibbs' canonical distribution for the one-dimensional harmonic oscillator. A 2001 doubly-thermostated model, claimed to be ergodic, has a singly-thermostated version. Though neither of these models is ergodic this work has suggested a successful route toward singly-thermostated ergodicity. We illustrate both ergodicity and its lack for these models using phase-space cross sections and Lyapunov instability as diagnostic tools. - Highlights: • We develop cross-section and Lyapunov methods for diagnosing ergodicity. • We apply these methods to several thermostatted-oscillator problems. • We demonstrate the nonergodicity of previous work. • We find a novel family of ergodic thermostatted-oscillator problems.

Sampling informative/complex a priori probability distributions using Gibbs sampling assisted by sequential simulation

DEFF Research Database (Denmark)

Hansen, Thomas Mejer; Mosegaard, Klaus; Cordua, Knud Skou

2010-01-01

Markov chain Monte Carlo methods such as the Gibbs sampler and the Metropolis algorithm can be used to sample the solutions to non-linear inverse problems. In principle these methods allow incorporation of arbitrarily complex a priori information, but current methods allow only relatively simple...... this algorithm with the Metropolis algorithm to obtain an efficient method for sampling posterior probability densities for nonlinear inverse problems....

Pointo - a Low Cost Solution to Point Cloud Processing

Science.gov (United States)

Houshiar, H.; Winkler, S.

2017-11-01

With advance in technology access to data especially 3D point cloud data becomes more and more an everyday task. 3D point clouds are usually captured with very expensive tools such as 3D laser scanners or very time consuming methods such as photogrammetry. Most of the available softwares for 3D point cloud processing are designed for experts and specialists in this field and are usually very large software packages containing variety of methods and tools. This results in softwares that are usually very expensive to acquire and also very difficult to use. Difficulty of use is caused by complicated user interfaces that is required to accommodate a large list of features. The aim of these complex softwares is to provide a powerful tool for a specific group of specialist. However they are not necessary required by the majority of the up coming average users of point clouds. In addition to complexity and high costs of these softwares they generally rely on expensive and modern hardware and only compatible with one specific operating system. Many point cloud customers are not point cloud processing experts or willing to spend the high acquisition costs of these expensive softwares and hardwares. In this paper we introduce a solution for low cost point cloud processing. Our approach is designed to accommodate the needs of the average point cloud user. To reduce the cost and complexity of software our approach focuses on one functionality at a time in contrast with most available softwares and tools that aim to solve as many problems as possible at the same time. Our simple and user oriented design improve the user experience and empower us to optimize our methods for creation of an efficient software. In this paper we introduce Pointo family as a series of connected softwares to provide easy to use tools with simple design for different point cloud processing requirements. PointoVIEWER and PointoCAD are introduced as the first components of the Pointo family to provide a

A scalable and multi-purpose point cloud server (PCS) for easier and faster point cloud data management and processing

Science.gov (United States)

Cura, Rémi; Perret, Julien; Paparoditis, Nicolas

2017-05-01

In addition to more traditional geographical data such as images (rasters) and vectors, point cloud data are becoming increasingly available. Such data are appreciated for their precision and true three-Dimensional (3D) nature. However, managing point clouds can be difficult due to scaling problems and specificities of this data type. Several methods exist but are usually fairly specialised and solve only one aspect of the management problem. In this work, we propose a comprehensive and efficient point cloud management system based on a database server that works on groups of points (patches) rather than individual points. This system is specifically designed to cover the basic needs of point cloud users: fast loading, compressed storage, powerful patch and point filtering, easy data access and exporting, and integrated processing. Moreover, the proposed system fully integrates metadata (like sensor position) and can conjointly use point clouds with other geospatial data, such as images, vectors, topology and other point clouds. Point cloud (parallel) processing can be done in-base with fast prototyping capabilities. Lastly, the system is built on open source technologies; therefore it can be easily extended and customised. We test the proposed system with several billion points obtained from Lidar (aerial and terrestrial) and stereo-vision. We demonstrate loading speeds in the ˜50 million pts/h per process range, transparent-for-user and greater than 2 to 4:1 compression ratio, patch filtering in the 0.1 to 1 s range, and output in the 0.1 million pts/s per process range, along with classical processing methods, such as object detection.

Poisson point processes imaging, tracking, and sensing

CERN Document Server

Streit, Roy L

2010-01-01

This overview of non-homogeneous and multidimensional Poisson point processes and their applications features mathematical tools and applications from emission- and transmission-computed tomography to multiple target tracking and distributed sensor detection.

Development and evaluation of spatial point process models for epidermal nerve fibers.

Science.gov (United States)

Olsbo, Viktor; Myllymäki, Mari; Waller, Lance A; Särkkä, Aila

2013-06-01

We propose two spatial point process models for the spatial structure of epidermal nerve fibers (ENFs) across human skin. The models derive from two point processes, Φb and Φe, describing the locations of the base and end points of the fibers. Each point of Φe (the end point process) is connected to a unique point in Φb (the base point process). In the first model, both Φe and Φb are Poisson processes, yielding a null model of uniform coverage of the skin by end points and general baseline results and reference values for moments of key physiologic indicators. The second model provides a mechanistic model to generate end points for each base, and we model the branching structure more directly by defining Φe as a cluster process conditioned on the realization of Φb as its parent points. In both cases, we derive distributional properties for observable quantities of direct interest to neurologists such as the number of fibers per base, and the direction and range of fibers on the skin. We contrast both models by fitting them to data from skin blister biopsy images of ENFs and provide inference regarding physiological properties of ENFs. Copyright © 2013 Elsevier Inc. All rights reserved.

Distinguishing different types of inhomogeneity in Neyman-Scott point processes

Czech Academy of Sciences Publication Activity Database

Mrkvička, Tomáš

2014-01-01

Roč. 16, č. 2 (2014), s. 385-395 ISSN 1387-5841 Institutional support: RVO:60077344 Keywords : clustering * growing clusters * inhomogeneous cluster centers * inhomogeneous point process * location dependent scaling * Neyman-Scott point process Subject RIV: BA - General Mathematics Impact factor: 0.913, year: 2014

Marked point process for modelling seismic activity (case study in Sumatra and Java)

Science.gov (United States)

Pratiwi, Hasih; Sulistya Rini, Lia; Wayan Mangku, I.

2018-05-01

Earthquake is a natural phenomenon that is random, irregular in space and time. Until now the forecast of earthquake occurrence at a location is still difficult to be estimated so that the development of earthquake forecast methodology is still carried out both from seismology aspect and stochastic aspect. To explain the random nature phenomena, both in space and time, a point process approach can be used. There are two types of point processes: temporal point process and spatial point process. The temporal point process relates to events observed over time as a sequence of time, whereas the spatial point process describes the location of objects in two or three dimensional spaces. The points on the point process can be labelled with additional information called marks. A marked point process can be considered as a pair (x, m) where x is the point of location and m is the mark attached to the point of that location. This study aims to model marked point process indexed by time on earthquake data in Sumatra Island and Java Island. This model can be used to analyse seismic activity through its intensity function by considering the history process up to time before t. Based on data obtained from U.S. Geological Survey from 1973 to 2017 with magnitude threshold 5, we obtained maximum likelihood estimate for parameters of the intensity function. The estimation of model parameters shows that the seismic activity in Sumatra Island is greater than Java Island.

Some properties of point processes in statistical optics

International Nuclear Information System (INIS)

Picinbono, B.; Bendjaballah, C.

2010-01-01

The analysis of the statistical properties of the point process (PP) of photon detection times can be used to determine whether or not an optical field is classical, in the sense that its statistical description does not require the methods of quantum optics. This determination is, however, more difficult than ordinarily admitted and the first aim of this paper is to illustrate this point by using some results of the PP theory. For example, it is well known that the analysis of the photodetection of classical fields exhibits the so-called bunching effect. But this property alone cannot be used to decide the nature of a given optical field. Indeed, we have presented examples of point processes for which a bunching effect appears and yet they cannot be obtained from a classical field. These examples are illustrated by computer simulations. Similarly, it is often admitted that for fields with very low light intensity the bunching or antibunching can be described by using the statistical properties of the distance between successive events of the point process, which simplifies the experimental procedure. We have shown that, while this property is valid for classical PPs, it has no reason to be true for nonclassical PPs, and we have presented some examples of this situation also illustrated by computer simulations.

A simple approach to the solvent reorganisation Gibbs free energy in electron transfer reactions of redox metalloproteins

DEFF Research Database (Denmark)

Ulstrup, Jens

1999-01-01

We discuss a simple model for the environmental reorganisation Gibbs free energy, E-r, in electron transfer between a metalloprotein and a small reaction partner. The protein is represented as a dielectric globule with low dielectric constant, the metal centres as conducting spheres, all embedded...

Solubility and Standard Gibb's energies of transfer of alkali metal perchlorates, tetramethyl- and tetraethylammonium from water to aqua-acetone solvents

International Nuclear Information System (INIS)

Kireev, A.A.; Pak, T.G.; Bezuglyj, V.D.

1996-01-01

Solubilities of KClO 4 , RbClO 4 , CsClO 4 , (CH 3 ) 4 NClO 4 , (C 2 M 5 ) 4 NClO 4 in water and water-acetone mixtures are determined by the method of isothermal saturation at 298.15 K. Dissociation constants of alkali metal perchlorates are found by conductometric method. Solubility products and standard Gibbs energies of transfer of corresponding electrolytes from water into water-acetone solvents are calculated. The character of transfer Gibbs energy dependence on solvent composition is explained by preferred solvation of cations by acetone molecules and anions-by water molecules. Features of tetraalkyl ammonium ions are explained by large changes in energy of cavity formation for these ions

Standard molar Gibbs free energy of formation of URh3(s)

International Nuclear Information System (INIS)

Prasad, Rajendra; Sayi, Y.S.; Radhakrishna, J.; Yadav, C.S.; Shankaran, P.S.; Chhapru, G.C.

1992-01-01

Equilibrium partial pressures of CO(g) over the system (UO 2 (s) + C(s) + Rh(s) + URh 3 (s)) were measured in the temperature range 1327 - 1438 K. Standard Gibbs molar free energy of formation of URh 3 (Δ f G o m ) in the above temperature range can be expressed as Δ f G o m (URh 3 ,s,T)+-3.0(kJ/mol)= -348.165 + 0.03144 T(K). The second and third law enthalpy of formation, ΔfH o m (URh 3 ,s,298.15 K) are (-318.4 +- 3.0) and (298.3 +- 2.5) kJ/mol respectively. (author). 7 refs., 3 tabs

A Bayesian MCMC method for point process models with intractable normalising constants

DEFF Research Database (Denmark)

Berthelsen, Kasper Klitgaard; Møller, Jesper

2004-01-01

to simulate from the "unknown distribution", perfect simulation algorithms become useful. We illustrate the method in cases whre the likelihood is given by a Markov point process model. Particularly, we consider semi-parametric Bayesian inference in connection to both inhomogeneous Markov point process models...... and pairwise interaction point processes....

Coefficients of interphase distribution and Gibbs energy of the transfer of nicotinic acid from water into aqueous solutions of ethanol and dimethylsulfoxide

Science.gov (United States)

Grazhdan, K. V.; Gamov, G. A.; Dushina, S. V.; Sharnin, V. A.

2012-11-01

Coefficients of the interphase distribution of nicotinic acid are determined in aqueous solution systems of ethanol-hexane and DMSO-hexane at 25.0 ± 0.1°C. They are used to calculate the Gibbs energy of the transfer of nicotinic acid from water into aqueous solutions of ethanol and dimethylsulfoxide. The Gibbs energy values for the transfer of the molecular and zwitterionic forms of nicotinic acid are obtained by means of UV spectroscopy. The diametrically opposite effect of the composition of binary solvents on the transfer of the molecular and zwitterionic forms of nicotinic acid is noted.

Gibbs Sampler-Based λ-Dynamics and Rao-Blackwell Estimator for Alchemical Free Energy Calculation.

Science.gov (United States)

Ding, Xinqiang; Vilseck, Jonah Z; Hayes, Ryan L; Brooks, Charles L

2017-06-13

λ-dynamics is a generalized ensemble method for alchemical free energy calculations. In traditional λ-dynamics, the alchemical switch variable λ is treated as a continuous variable ranging from 0 to 1 and an empirical estimator is utilized to approximate the free energy. In the present article, we describe an alternative formulation of λ-dynamics that utilizes the Gibbs sampler framework, which we call Gibbs sampler-based λ-dynamics (GSLD). GSLD, like traditional λ-dynamics, can be readily extended to calculate free energy differences between multiple ligands in one simulation. We also introduce a new free energy estimator, the Rao-Blackwell estimator (RBE), for use in conjunction with GSLD. Compared with the current empirical estimator, the advantage of RBE is that RBE is an unbiased estimator and its variance is usually smaller than the current empirical estimator. We also show that the multistate Bennett acceptance ratio equation or the unbinned weighted histogram analysis method equation can be derived using the RBE. We illustrate the use and performance of this new free energy computational framework by application to a simple harmonic system as well as relevant calculations of small molecule relative free energies of solvation and binding to a protein receptor. Our findings demonstrate consistent and improved performance compared with conventional alchemical free energy methods.

Fingerprint Analysis with Marked Point Processes

DEFF Research Database (Denmark)

Forbes, Peter G. M.; Lauritzen, Steffen; Møller, Jesper

We present a framework for fingerprint matching based on marked point process models. An efficient Monte Carlo algorithm is developed to calculate the marginal likelihood ratio for the hypothesis that two observed prints originate from the same finger against the hypothesis that they originate from...... different fingers. Our model achieves good performance on an NIST-FBI fingerprint database of 258 matched fingerprint pairs....

A J–function for inhomogeneous point processes

NARCIS (Netherlands)

M.N.M. van Lieshout (Marie-Colette)

2010-01-01

htmlabstractWe propose new summary statistics for intensity-reweighted moment stationary point processes that generalise the well known J-, empty space, and nearest-neighbour distance dis- tribution functions, represent them in terms of generating functionals and conditional intensities, and relate

Direct measurements of the Gibbs free energy of OH using a CW tunable laser

Science.gov (United States)

Killinger, D. K.; Wang, C. C.

1979-01-01

The paper describes an absorption measurement for determining the Gibbs free energy of OH generated in a mixture of water and oxygen vapor. These measurements afford a direct verification of the accuracy of thermochemical data of H2O at high temperatures and pressures. The results indicate that values for the heat capacity of H2O obtained through numerical computations are correct within an experimental uncertainty of 0.15 cal/mole K.

The importance of topographically corrected null models for analyzing ecological point processes.

Science.gov (United States)

McDowall, Philip; Lynch, Heather J

2017-07-01

Analyses of point process patterns and related techniques (e.g., MaxEnt) make use of the expected number of occurrences per unit area and second-order statistics based on the distance between occurrences. Ecologists working with point process data often assume that points exist on a two-dimensional x-y plane or within a three-dimensional volume, when in fact many observed point patterns are generated on a two-dimensional surface existing within three-dimensional space. For many surfaces, however, such as the topography of landscapes, the projection from the surface to the x-y plane preserves neither area nor distance. As such, when these point patterns are implicitly projected to and analyzed in the x-y plane, our expectations of the point pattern's statistical properties may not be met. When used in hypothesis testing, we find that the failure to account for the topography of the generating surface may bias statistical tests that incorrectly identify clustering and, furthermore, may bias coefficients in inhomogeneous point process models that incorporate slope as a covariate. We demonstrate the circumstances under which this bias is significant, and present simple methods that allow point processes to be simulated with corrections for topography. These point patterns can then be used to generate "topographically corrected" null models against which observed point processes can be compared. © 2017 by the Ecological Society of America.

Using self-consistent Gibbs free energy surfaces to calculate size distributions of neutral and charged clusters for the sulfuric acid-water binary system

Science.gov (United States)

Smith, J. A.; Froyd, K. D.; Toon, O. B.

2012-12-01

We construct tables of reaction enthalpies and entropies for the association reactions involving sulfuric acid vapor, water vapor, and the bisulfate ion. These tables are created from experimental measurements and quantum chemical calculations for molecular clusters and a classical thermodynamic model for larger clusters. These initial tables are not thermodynamically consistent. For example, the Gibbs free energy of associating a cluster consisting of one acid molecule and two water molecules depends on the order in which the cluster was assembled: add two waters and then the acid or add an acid and a water and then the second water. We adjust the values within the tables using the method of Lagrange multipliers to minimize the adjustments and produce self-consistent Gibbs free energy surfaces for the neutral clusters and the charged clusters. With the self-consistent Gibbs free energy surfaces, we calculate size distributions of neutral and charged clusters for a variety of atmospheric conditions. Depending on the conditions, nucleation can be dominated by growth along the neutral channel or growth along the ion channel followed by ion-ion recombination.

Multivariate Product-Shot-noise Cox Point Process Models

DEFF Research Database (Denmark)

Jalilian, Abdollah; Guan, Yongtao; Mateu, Jorge

We introduce a new multivariate product-shot-noise Cox process which is useful for model- ing multi-species spatial point patterns with clustering intra-specific interactions and neutral, negative or positive inter-specific interactions. The auto and cross pair correlation functions of the process...... can be obtained in closed analytical forms and approximate simulation of the process is straightforward. We use the proposed process to model interactions within and among five tree species in the Barro Colorado Island plot....

Gibbs energies of formation of zircon (ZrSiO4), thorite (ThSiO4), and phenacite (Be2SiO4)

International Nuclear Information System (INIS)

Schuiling, R.D.; Vergouwen, L.; Rijst, H. van der

1976-01-01

Zircon, thorite, and phenacite are very refractory compounds which do not yield to solution calorimetry. In In order to obtain approximate Gibbs energies of formation for these minerals, their reactions with a number of silica-undersaturated compounds (silicates or oxides) were studied. Conversely baddeleyite (ZrO 2 ), thorianite (ThO 2 ), and bromellite (BeO) were reacted with the appropriate silicates. As the Gibbs energies of reaction of the undersaturated compounds with SiO 2 are known, the experiments yield the following data: Δ G 298 , 1 /sub bar/ 0 = -459.02 +- 1.04 kcal for zircon, -489.67 +- 1.04 for thorite, and -480.20 +- 1.01 for phenacite

Generalized Gibbs distribution and energy localization in the semiclassical FPU problem

Science.gov (United States)

Hipolito, Rafael; Danshita, Ippei; Oganesyan, Vadim; Polkovnikov, Anatoli

2011-03-01

We investigate dynamics of the weakly interacting quantum mechanical Fermi-Pasta-Ulam (qFPU) model in the semiclassical limit below the stochasticity threshold. Within this limit we find that initial quantum fluctuations lead to the damping of FPU oscillations and relaxation of the system to a slowly evolving steady state with energy localized within few momentum modes. We find that in large systems this state can be described by the generalized Gibbs ensemble (GGE), with the Lagrange multipliers being very weak functions of time. This ensembles gives accurate description of the instantaneous correlation functions, both quadratic and quartic. Based on these results we conjecture that GGE generically appears as a prethermalized state in weakly non-integrable systems.

Dynamics of macro-observables and space-time inhomogeneous Gibbs ensembles

International Nuclear Information System (INIS)

Lanz, L.; Lupieri, G.

1978-01-01

The relationship between the classical description of a macro-system and quantum mechanics of its particles is considered within the framework recently developed by Ludwig. A procedure is given to define probability measures on the trajectory space of a macrosystem which yields a statistical description of the dynamics of a macrosystem. The basic tool in this treatment is a new concept of space-time inhomogeneous Gibbs ensemble, defined in N-body quantum mechanics. In the Gaussian approximation of the probabilities the results of Zubarev's theory based on the ''nonequilibrium statistical operator'' are recovered. The present ''embedding'' of the description of a macrosystem inside the N-body theory allows for a joint description of a macrosystem and a microsubsystem of it, and a ''macroscopical'' calculation of the statistical operator of the microsystem is indicated. (author)

Spatial Mixture Modelling for Unobserved Point Processes: Examples in Immunofluorescence Histology.

Science.gov (United States)

Ji, Chunlin; Merl, Daniel; Kepler, Thomas B; West, Mike

2009-12-04

We discuss Bayesian modelling and computational methods in analysis of indirectly observed spatial point processes. The context involves noisy measurements on an underlying point process that provide indirect and noisy data on locations of point outcomes. We are interested in problems in which the spatial intensity function may be highly heterogenous, and so is modelled via flexible nonparametric Bayesian mixture models. Analysis aims to estimate the underlying intensity function and the abundance of realized but unobserved points. Our motivating applications involve immunological studies of multiple fluorescent intensity images in sections of lymphatic tissue where the point processes represent geographical configurations of cells. We are interested in estimating intensity functions and cell abundance for each of a series of such data sets to facilitate comparisons of outcomes at different times and with respect to differing experimental conditions. The analysis is heavily computational, utilizing recently introduced MCMC approaches for spatial point process mixtures and extending them to the broader new context here of unobserved outcomes. Further, our example applications are problems in which the individual objects of interest are not simply points, but rather small groups of pixels; this implies a need to work at an aggregate pixel region level and we develop the resulting novel methodology for this. Two examples with with immunofluorescence histology data demonstrate the models and computational methodology.

The standard Gibbs free energy of formation of lithium manganese oxides at the temperatures of (680, 740 and 800) K

International Nuclear Information System (INIS)

Rog, G.; Kucza, W.; Kozlowska-Rog, A.

2004-01-01

The standard Gibbs free energy of formation of LiMnO 2 and LiMn 2 O 4 at the temperatures of (680, 740 and 800) K has been determined with the help of the solid-state galvanic cells involving lithium-β-alumina electrolyte. The equilibrium electrical potentials of cathode containing Li x Mn 2 O 4 spinel, in the composition ranges 0≤x≤1 and 1≤x≤2, vs. metallic lithium in the reversible intercalation galvanic cell have been calculated. The existence of two-voltage plateaus which appeared during charging and discharging processes in reversible intercalation of lithium into Li x Mn 2 O 4 spinel, has been discussed

Standard Gibbs free energies of reactions of ozone with free radicals in aqueous solution: quantum-chemical calculations.

Science.gov (United States)

Naumov, Sergej; von Sonntag, Clemens

2011-11-01

Free radicals are common intermediates in the chemistry of ozone in aqueous solution. Their reactions with ozone have been probed by calculating the standard Gibbs free energies of such reactions using density functional theory (Jaguar 7.6 program). O(2) reacts fast and irreversibly only with simple carbon-centered radicals. In contrast, ozone also reacts irreversibly with conjugated carbon-centered radicals such as bisallylic (hydroxycylohexadienyl) radicals, with conjugated carbon/oxygen-centered radicals such as phenoxyl radicals, and even with nitrogen- oxygen-, sulfur-, and halogen-centered radicals. In these reactions, further ozone-reactive radicals are generated. Chain reactions may destroy ozone without giving rise to products other than O(2). This may be of importance when ozonation is used in pollution control, and reactions of free radicals with ozone have to be taken into account in modeling such processes.

Gibbs Measures Over Locally Tree-Like Graphs and Percolative Entropy Over Infinite Regular Trees

Science.gov (United States)

Austin, Tim; Podder, Moumanti

2018-03-01

Consider a statistical physical model on the d-regular infinite tree Td described by a set of interactions Φ . Let Gn be a sequence of finite graphs with vertex sets V_n that locally converge to Td. From Φ one can construct a sequence of corresponding models on the graphs G_n. Let μ_n be the resulting Gibbs measures. Here we assume that μ n converges to some limiting Gibbs measure μ on Td in the local weak^* sense, and study the consequences of this convergence for the specific entropies |V_n|^{-1}H(μ _n). We show that the limit supremum of |V_n|^{-1}H(μ _n) is bounded above by the percolative entropy H_{it{perc}}(μ ), a function of μ itself, and that |V_n|^{-1}H(μ _n) actually converges to H_{it{perc}}(μ ) in case Φ exhibits strong spatial mixing on T_d. When it is known to exist, the limit of |V_n|^{-1}H(μ _n) is most commonly shown to be given by the Bethe ansatz. Percolative entropy gives a different formula, and we do not know how to connect it to the Bethe ansatz directly. We discuss a few examples of well-known models for which the latter result holds in the high temperature regime.

Discrete Approximations of Determinantal Point Processes on Continuous Spaces: Tree Representations and Tail Triviality

Science.gov (United States)

Osada, Hirofumi; Osada, Shota

2018-01-01

We prove tail triviality of determinantal point processes μ on continuous spaces. Tail triviality has been proved for such processes only on discrete spaces, and hence we have generalized the result to continuous spaces. To do this, we construct tree representations, that is, discrete approximations of determinantal point processes enjoying a determinantal structure. There are many interesting examples of determinantal point processes on continuous spaces such as zero points of the hyperbolic Gaussian analytic function with Bergman kernel, and the thermodynamic limit of eigenvalues of Gaussian random matrices for Sine_2 , Airy_2 , Bessel_2 , and Ginibre point processes. Our main theorem proves all these point processes are tail trivial.

Matrix product density operators: Renormalization fixed points and boundary theories

Energy Technology Data Exchange (ETDEWEB)

Cirac, J.I. [Max-Planck-Institut für Quantenoptik, Hans-Kopfermann-Str. 1, D-85748 Garching (Germany); Pérez-García, D., E-mail: dperezga@ucm.es [Departamento de Análisis Matemático, Universidad Complutense de Madrid, Plaza de Ciencias 3, 28040 Madrid (Spain); ICMAT, Nicolas Cabrera, Campus de Cantoblanco, 28049 Madrid (Spain); Schuch, N. [Max-Planck-Institut für Quantenoptik, Hans-Kopfermann-Str. 1, D-85748 Garching (Germany); Verstraete, F. [Department of Physics and Astronomy, Ghent University (Belgium); Vienna Center for Quantum Technology, University of Vienna (Austria)

2017-03-15

We consider the tensors generating matrix product states and density operators in a spin chain. For pure states, we revise the renormalization procedure introduced in (Verstraete et al., 2005) and characterize the tensors corresponding to the fixed points. We relate them to the states possessing zero correlation length, saturation of the area law, as well as to those which generate ground states of local and commuting Hamiltonians. For mixed states, we introduce the concept of renormalization fixed points and characterize the corresponding tensors. We also relate them to concepts like finite correlation length, saturation of the area law, as well as to those which generate Gibbs states of local and commuting Hamiltonians. One of the main result of this work is that the resulting fixed points can be associated to the boundary theories of two-dimensional topological states, through the bulk-boundary correspondence introduced in (Cirac et al., 2011).

Gibbs free energy of formation of UPb(s) compound

International Nuclear Information System (INIS)

Samui, Pradeep; Agarwal, Renu; Mishra, Ratikanta

2012-01-01

Liquid lead and lead-bismuth eutectic (LBE) are being explored as primary candidates for coolants in accelerator driven systems and in advanced nuclear reactors due to their favorable thermo-physical and chemical properties. They are also proposed to be used as spallation neutron source in ADS Reactor Systems. However, corrosion of structural materials (i.e. steel) presents a critical challenge for the use of liquid lead or LBE in advanced nuclear reactors. The interactions of liquid lead or LBE with clad and fuel is of great scientific and technological importance in the development of advanced nuclear reactors. Clad failure/breach can lead to reaction of coolant elements with fuel components. Thus the study of fuel-coolant interaction of U with Pb/Bi is important. The paper deals with the determination of Gibbs free energy of formation of U-rich phase i.e. UPb in Pb-U system, employing Knudsen effusion mass loss technique

Critical Control Points in the Processing of Cassava Tuber for Ighu ...

African Journals Online (AJOL)

Determination of the critical control points in the processing of cassava tuber into Ighu was carried out. The critical control points were determined according to the Codex guidelines for the application of the HACCP system by conducting hazard analysis. Hazard analysis involved proper examination of each processing step ...

ASTEM, Evaluation of Gibbs, Helmholtz and Saturation Line Function for Thermodynamics Calculation

International Nuclear Information System (INIS)

Moore, K.V.; Burgess, M.P.; Fuller, G.L.; Kaiser, A.H.; Jaeger, D.L.

1974-01-01

1 - Description of problem or function: ASTEM is a modular set of FORTRAN IV subroutines to evaluate the Gibbs, Helmholtz, and saturation line functions as published by the American Society of Mechanical Engineers (1967). Any thermodynamic quantity including derivative properties can be obtained from these routines by a user-supplied main program. PROPS is an auxiliary routine available for the IBM360 version which makes it easier to apply the ASTEM routines to power station models. 2 - Restrictions on the complexity of the problem: Unless re-dimensioned by the user, the highest derivative allowed is order 9. All arrays within ASTEM are one-dimensional to save storage area

Second-order analysis of structured inhomogeneous spatio-temporal point processes

DEFF Research Database (Denmark)

Møller, Jesper; Ghorbani, Mohammad

Statistical methodology for spatio-temporal point processes is in its infancy. We consider second-order analysis based on pair correlation functions and K-functions for first general inhomogeneous spatio-temporal point processes and second inhomogeneous spatio-temporal Cox processes. Assuming...... spatio-temporal separability of the intensity function, we clarify different meanings of second-order spatio-temporal separability. One is second-order spatio-temporal independence and relates e.g. to log-Gaussian Cox processes with an additive covariance structure of the underlying spatio......-temporal Gaussian process. Another concerns shot-noise Cox processes with a separable spatio-temporal covariance density. We propose diagnostic procedures for checking hypotheses of second-order spatio-temporal separability, which we apply on simulated and real data (the UK 2001 epidemic foot and mouth disease data)....

Microbial profile and critical control points during processing of 'robo ...

African Journals Online (AJOL)

Microbial profile and critical control points during processing of 'robo' snack from ... the relevant critical control points especially in relation to raw materials and ... to the quality of the various raw ingredients used were the roasting using earthen

Statistical aspects of determinantal point processes

DEFF Research Database (Denmark)

Lavancier, Frédéric; Møller, Jesper; Rubak, Ege Holger

The statistical aspects of determinantal point processes (DPPs) seem largely unexplored. We review the appealing properties of DDPs, demonstrate that they are useful models for repulsiveness, detail a simulation procedure, and provide freely available software for simulation and statistical...... inference. We pay special attention to stationary DPPs, where we give a simple condition ensuring their existence, construct parametric models, describe how they can be well approximated so that the likelihood can be evaluated and realizations can be simulated, and discuss how statistical inference...

Equivalence of functional limit theorems for stationary point processes and their Palm distributions

NARCIS (Netherlands)

Nieuwenhuis, G.

1989-01-01

Let P be the distribution of a stationary point process on the real line and let P0 be its Palm distribution. In this paper we consider two types of functional limit theorems, those in terms of the number of points of the point process in (0, t] and those in terms of the location of the nth point

A density functional theory based approach for predicting melting points of ionic liquids.

Science.gov (United States)

Chen, Lihua; Bryantsev, Vyacheslav S

2017-02-01

Accurate prediction of melting points of ILs is important both from the fundamental point of view and from the practical perspective for screening ILs with low melting points and broadening their utilization in a wider temperature range. In this work, we present an ab initio approach to calculate melting points of ILs with known crystal structures and illustrate its application for a series of 11 ILs containing imidazolium/pyrrolidinium cations and halide/polyatomic fluoro-containing anions. The melting point is determined as a temperature at which the Gibbs free energy of fusion is zero. The Gibbs free energy of fusion can be expressed through the use of the Born-Fajans-Haber cycle via the lattice free energy of forming a solid IL from gaseous phase ions and the sum of the solvation free energies of ions comprising IL. Dispersion-corrected density functional theory (DFT) involving (semi)local (PBE-D3) and hybrid exchange-correlation (HSE06-D3) functionals is applied to estimate the lattice enthalpy, entropy, and free energy. The ions solvation free energies are calculated with the SMD-generic-IL solvation model at the M06-2X/6-31+G(d) level of theory under standard conditions. The melting points of ILs computed with the HSE06-D3 functional are in good agreement with the experimental data, with a mean absolute error of 30.5 K and a mean relative error of 8.5%. The model is capable of accurately reproducing the trends in melting points upon variation of alkyl substituents in organic cations and replacement one anion by another. The results verify that the lattice energies of ILs containing polyatomic fluoro-containing anions can be approximated reasonably well using the volume-based thermodynamic approach. However, there is no correlation of the computed lattice energies with molecular volume for ILs containing halide anions. Moreover, entropies of solid ILs follow two different linear relationships with molecular volume for halides and polyatomic fluoro

The cylindrical K-function and Poisson line cluster point processes

DEFF Research Database (Denmark)

Møller, Jesper; Safavimanesh, Farzaneh; Rasmussen, Jakob G.

Poisson line cluster point processes, is also introduced. Parameter estimation based on moment methods or Bayesian inference for this model is discussed when the underlying Poisson line process and the cluster memberships are treated as hidden processes. To illustrate the methodologies, we analyze two...

INHOMOGENEITY IN SPATIAL COX POINT PROCESSES – LOCATION DEPENDENT THINNING IS NOT THE ONLY OPTION

Directory of Open Access Journals (Sweden)

Michaela Prokešová

2010-11-01

Full Text Available In the literature on point processes the by far most popular option for introducing inhomogeneity into a point process model is the location dependent thinning (resulting in a second-order intensity-reweighted stationary point process. This produces a very tractable model and there are several fast estimation procedures available. Nevertheless, this model dilutes the interaction (or the geometrical structure of the original homogeneous model in a special way. When concerning the Markov point processes several alternative inhomogeneous models were suggested and investigated in the literature. But it is not so for the Cox point processes, the canonical models for clustered point patterns. In the contribution we discuss several other options how to define inhomogeneous Cox point process models that result in point patterns with different types of geometric structure. We further investigate the possible parameter estimation procedures for such models.

From point process observations to collective neural dynamics: Nonlinear Hawkes process GLMs, low-dimensional dynamics and coarse graining.

Science.gov (United States)

Truccolo, Wilson

2016-11-01

This review presents a perspective on capturing collective dynamics in recorded neuronal ensembles based on multivariate point process models, inference of low-dimensional dynamics and coarse graining of spatiotemporal measurements. A general probabilistic framework for continuous time point processes reviewed, with an emphasis on multivariate nonlinear Hawkes processes with exogenous inputs. A point process generalized linear model (PP-GLM) framework for the estimation of discrete time multivariate nonlinear Hawkes processes is described. The approach is illustrated with the modeling of collective dynamics in neocortical neuronal ensembles recorded in human and non-human primates, and prediction of single-neuron spiking. A complementary approach to capture collective dynamics based on low-dimensional dynamics ("order parameters") inferred via latent state-space models with point process observations is presented. The approach is illustrated by inferring and decoding low-dimensional dynamics in primate motor cortex during naturalistic reach and grasp movements. Finally, we briefly review hypothesis tests based on conditional inference and spatiotemporal coarse graining for assessing collective dynamics in recorded neuronal ensembles. Published by Elsevier Ltd.

Transition at the deliquesce point in single salts

DEFF Research Database (Denmark)

Rörig-Dalgaard, Inge

2014-01-01

Background: Deliquesce points for single salts are in general considered to occur at a specific relative humidity and are also shown as such in phase diagrams. For this reason, salts are used for calibration purpose. According to Gibbs phase rule, the crystalline solid and the saturated solution...... the increasing numbers of thin film water till 20 mbar at 25˚C whereas the deliquescence point is at 24 mbar. These results suggest a stepwise change in the state of the salt. During preparation to salt calibration tests (in a Dynamic Vapour Sorption equipment (DVS)) the author noticed that some single salts...... have a very sudden and accurate change in salt state whereas another salt changed inaccurate as was noticed with NaCl (seen in more than 10 salt preparations). In the present work, the inaccurate transition between the solid NaCl to NaCl in solution was investigated with a cooling stage (CS) in an ESEM...

Limit order book and its modeling in terms of Gibbs Grand-Canonical Ensemble

Science.gov (United States)

Bicci, Alberto

2016-12-01

In the domain of so called Econophysics some attempts have been already made for applying the theory of thermodynamics and statistical mechanics to economics and financial markets. In this paper a similar approach is made from a different perspective, trying to model the limit order book and price formation process of a given stock by the Grand-Canonical Gibbs Ensemble for the bid and ask orders. The application of the Bose-Einstein statistics to this ensemble allows then to derive the distribution of the sell and buy orders as a function of price. As a consequence we can define in a meaningful way expressions for the temperatures of the ensembles of bid orders and of ask orders, which are a function of minimum bid, maximum ask and closure prices of the stock as well as of the exchanged volume of shares. It is demonstrated that the difference between the ask and bid orders temperatures can be related to the VAO (Volume Accumulation Oscillator), an indicator empirically defined in Technical Analysis of stock markets. Furthermore the derived distributions for aggregate bid and ask orders can be subject to well defined validations against real data, giving a falsifiable character to the model.

Effect of self-interaction on the phase diagram of a Gibbs-like measure derived by a reversible Probabilistic Cellular Automata

International Nuclear Information System (INIS)

Cirillo, Emilio N.M.; Louis, Pierre-Yves; Ruszel, Wioletta M.; Spitoni, Cristian

2014-01-01

Cellular Automata are discrete-time dynamical systems on a spatially extended discrete space which provide paradigmatic examples of nonlinear phenomena. Their stochastic generalizations, i.e., Probabilistic Cellular Automata (PCA), are discrete time Markov chains on lattice with finite single-cell states whose distinguishing feature is the parallel character of the updating rule. We study the ground states of the Hamiltonian and the low-temperature phase diagram of the related Gibbs measure naturally associated with a class of reversible PCA, called the cross PCA. In such a model the updating rule of a cell depends indeed only on the status of the five cells forming a cross centered at the original cell itself. In particular, it depends on the value of the center spin (self-interaction). The goal of the paper is that of investigating the role played by the self-interaction parameter in connection with the ground states of the Hamiltonian and the low-temperature phase diagram of the Gibbs measure associated with this particular PCA

Extrapolation procedures for calculating high-temperature gibbs free energies of aqueous electrolytes

International Nuclear Information System (INIS)

Tremaine, P.R.

1979-01-01

Methods for calculating high-temprature Gibbs free energies of mononuclear cations and anions from room-temperature data are reviewed. Emphasis is given to species required for oxide solubility calculations relevant to mass transport situations in the nuclear industry. Free energies predicted by each method are compared to selected values calculated from recently reported solubility studies and other literature data. Values for monatomic ions estimated using the assumption anti C 0 p(T) = anti C 0 p(298) agree best with experiment to 423 K. From 423 K to 523 K, free energies from an electrostatic model for ion hydration are more accurate. Extrapolations for hydrolyzed species are limited by a lack of room-temperature entropy data and expressions for estimating these entropies are discussed. (orig.) [de

Variación de la energía libre de Gibbs de la caolinita en función de la cristalinidad y tamaño de partícula

OpenAIRE

La Iglesia, A.

1989-01-01

The effect of grinding on crystallinity, particle size and solubility of two samples of kaolinite was studied. The standard Gibbs free energies of formation of different ground samples were calculated from solubility measurements, and show a direct relationship between Gibbs free energy and particle size-crystallinity variation. Values of -3752.2 and -3776.4 KJ/mol. were determinated for ΔGºl (am) and ΔGºl (crys) of kaolinite, respectively. A new th...

Process and results of analytical framework and typology development for POINT

DEFF Research Database (Denmark)

Gudmundsson, Henrik; Lehtonen, Markku; Bauler, Tom

2009-01-01

POINT is a project about how indicators are used in practice; to what extent and in what way indicators actually influence, support, or hinder policy and decision making processes, and what could be done to enhance the positive role of indicators in such processes. The project needs an analytical......, a set of core concepts and associated typologies, a series of analytic schemes proposed, and a number of research propositions and questions for the subsequent empirical work in POINT....

A study of the Boltzmann and Gibbs entropies in the context of a stochastic toy model

Science.gov (United States)

Malgieri, Massimiliano; Onorato, Pasquale; De Ambrosis, Anna

2018-05-01

In this article we reconsider a stochastic toy model of thermal contact, first introduced in Onorato et al (2017 Eur. J. Phys. 38 045102), showing its educational potential for clarifying some current issues in the foundations of thermodynamics. The toy model can be realized in practice using dice and coins, and can be seen as representing thermal coupling of two subsystems with energy bounded from above. The system is used as a playground for studying the different behaviours of the Boltzmann and Gibbs temperatures and entropies in the approach to steady state. The process that models thermal contact between the two subsystems can be proved to be an ergodic, reversible Markov chain; thus the dynamics produces an equilibrium distribution in which the weight of each state is proportional to its multiplicity in terms of microstates. Each one of the two subsystems, taken separately, is formally equivalent to an Ising spin system in the non-interacting limit. The model is intended for educational purposes, and the level of readership of the article is aimed at advanced undergraduates.

Gibbs free-energy difference between the glass and crystalline phases of a Ni-Zr alloy

Science.gov (United States)

Ohsaka, K.; Trinh, E. H.; Holzer, J. C.; Johnson, W. L.

1993-01-01

The heats of eutectic melting and devitrification, and the specific heats of the crystalline, glass, and liquid phases have been measured for a Ni24Zr76 alloy. The data are used to calculate the Gibbs free-energy difference, Delta G(AC), between the real glass and the crystal on an assumption that the liquid-glass transition is second order. The result shows that Delta G(AC) continuously increases as the temperature decreases in contrast to the ideal glass case where Delta G(AC) is assumed to be independent of temperature.

Thermodynamics of Micellar Systems : Comparison of Mass Action and Phase Equilibrium Models for the Calculation of Standard Gibbs Energies of Micelle Formation

NARCIS (Netherlands)

Blandamer, Michael J.; Cullis, Paul M.; Soldi, L. Giorgio; Engberts, Jan B.F.N.; Kacperska, Anna; Os, Nico M. van

1995-01-01

Micellar colloids are distinguished from other colloids by their association-dissociation equilibrium in solution between monomers, counter-ions and micelles. According to classical thermodynamics, the standard Gibbs energy of formation of micelles at fixed temperature and pressure can be related to

Definition of distance for nonlinear time series analysis of marked point process data

Energy Technology Data Exchange (ETDEWEB)

Iwayama, Koji, E-mail: koji@sat.t.u-tokyo.ac.jp [Research Institute for Food and Agriculture, Ryukoku Univeristy, 1-5 Yokotani, Seta Oe-cho, Otsu-Shi, Shiga 520-2194 (Japan); Hirata, Yoshito; Aihara, Kazuyuki [Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505 (Japan)

2017-01-30

Marked point process data are time series of discrete events accompanied with some values, such as economic trades, earthquakes, and lightnings. A distance for marked point process data allows us to apply nonlinear time series analysis to such data. We propose a distance for marked point process data which can be calculated much faster than the existing distance when the number of marks is small. Furthermore, under some assumptions, the Kullback–Leibler divergences between posterior distributions for neighbors defined by this distance are small. We performed some numerical simulations showing that analysis based on the proposed distance is effective. - Highlights: • A new distance for marked point process data is proposed. • The distance can be computed fast enough for a small number of marks. • The method to optimize parameter values of the distance is also proposed. • Numerical simulations indicate that the analysis based on the distance is effective.

Parallel Processing of Big Point Clouds Using Z-Order Partitioning

Science.gov (United States)

Alis, C.; Boehm, J.; Liu, K.

2016-06-01

As laser scanning technology improves and costs are coming down, the amount of point cloud data being generated can be prohibitively difficult and expensive to process on a single machine. This data explosion is not only limited to point cloud data. Voluminous amounts of high-dimensionality and quickly accumulating data, collectively known as Big Data, such as those generated by social media, Internet of Things devices and commercial transactions, are becoming more prevalent as well. New computing paradigms and frameworks are being developed to efficiently handle the processing of Big Data, many of which utilize a compute cluster composed of several commodity grade machines to process chunks of data in parallel. A central concept in many of these frameworks is data locality. By its nature, Big Data is large enough that the entire dataset would not fit on the memory and hard drives of a single node hence replicating the entire dataset to each worker node is impractical. The data must then be partitioned across worker nodes in a manner that minimises data transfer across the network. This is a challenge for point cloud data because there exist different ways to partition data and they may require data transfer. We propose a partitioning based on Z-order which is a form of locality-sensitive hashing. The Z-order or Morton code is computed by dividing each dimension to form a grid then interleaving the binary representation of each dimension. For example, the Z-order code for the grid square with coordinates (x = 1 = 012, y = 3 = 112) is 10112 = 11. The number of points in each partition is controlled by the number of bits per dimension: the more bits, the fewer the points. The number of bits per dimension also controls the level of detail with more bits yielding finer partitioning. We present this partitioning method by implementing it on Apache Spark and investigating how different parameters affect the accuracy and running time of the k nearest neighbour algorithm

Robust identification of transcriptional regulatory networks using a Gibbs sampler on outlier sum statistic.

Science.gov (United States)

Gu, Jinghua; Xuan, Jianhua; Riggins, Rebecca B; Chen, Li; Wang, Yue; Clarke, Robert

2012-08-01

Identification of transcriptional regulatory networks (TRNs) is of significant importance in computational biology for cancer research, providing a critical building block to unravel disease pathways. However, existing methods for TRN identification suffer from the inclusion of excessive 'noise' in microarray data and false-positives in binding data, especially when applied to human tumor-derived cell line studies. More robust methods that can counteract the imperfection of data sources are therefore needed for reliable identification of TRNs in this context. In this article, we propose to establish a link between the quality of one target gene to represent its regulator and the uncertainty of its expression to represent other target genes. Specifically, an outlier sum statistic was used to measure the aggregated evidence for regulation events between target genes and their corresponding transcription factors. A Gibbs sampling method was then developed to estimate the marginal distribution of the outlier sum statistic, hence, to uncover underlying regulatory relationships. To evaluate the effectiveness of our proposed method, we compared its performance with that of an existing sampling-based method using both simulation data and yeast cell cycle data. The experimental results show that our method consistently outperforms the competing method in different settings of signal-to-noise ratio and network topology, indicating its robustness for biological applications. Finally, we applied our method to breast cancer cell line data and demonstrated its ability to extract biologically meaningful regulatory modules related to estrogen signaling and action in breast cancer. The Gibbs sampler MATLAB package is freely available at http://www.cbil.ece.vt.edu/software.htm. xuan@vt.edu Supplementary data are available at Bioinformatics online.

Edit distance for marked point processes revisited: An implementation by binary integer programming

Energy Technology Data Exchange (ETDEWEB)

Hirata, Yoshito; Aihara, Kazuyuki [Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505 (Japan)

2015-12-15

We implement the edit distance for marked point processes [Suzuki et al., Int. J. Bifurcation Chaos 20, 3699–3708 (2010)] as a binary integer program. Compared with the previous implementation using minimum cost perfect matching, the proposed implementation has two advantages: first, by using the proposed implementation, we can apply a wide variety of software and hardware, even spin glasses and coherent ising machines, to calculate the edit distance for marked point processes; second, the proposed implementation runs faster than the previous implementation when the difference between the numbers of events in two time windows for a marked point process is large.

Gibbs Measures of Nonlinear Schrödinger Equations as Limits of Many-Body Quantum States in Dimensions {d ≤slant 3}

Science.gov (United States)

Fröhlich, Jürg; Knowles, Antti; Schlein, Benjamin; Sohinger, Vedran

2017-12-01

We prove that Gibbs measures of nonlinear Schrödinger equations arise as high-temperature limits of thermal states in many-body quantum mechanics. Our results hold for defocusing interactions in dimensions {d =1,2,3}. The many-body quantum thermal states that we consider are the grand canonical ensemble for d = 1 and an appropriate modification of the grand canonical ensemble for {d =2,3}. In dimensions d = 2, 3, the Gibbs measures are supported on singular distributions, and a renormalization of the chemical potential is necessary. On the many-body quantum side, the need for renormalization is manifested by a rapid growth of the number of particles. We relate the original many-body quantum problem to a renormalized version obtained by solving a counterterm problem. Our proof is based on ideas from field theory, using a perturbative expansion in the interaction, organized by using a diagrammatic representation, and on Borel resummation of the resulting series.

Effect of processing conditions on oil point pressure of moringa oleifera seed.

Science.gov (United States)

Aviara, N A; Musa, W B; Owolarafe, O K; Ogunsina, B S; Oluwole, F A

2015-07-01

Seed oil expression is an important economic venture in rural Nigeria. The traditional techniques of carrying out the operation is not only energy sapping and time consuming but also wasteful. In order to reduce the tedium involved in the expression of oil from moringa oleifera seed and develop efficient equipment for carrying out the operation, the oil point pressure of the seed was determined under different processing conditions using a laboratory press. The processing conditions employed were moisture content (4.78, 6.00, 8.00 and 10.00 % wet basis), heating temperature (50, 70, 85 and 100 °C) and heating time (15, 20, 25 and 30 min). Results showed that the oil point pressure increased with increase in seed moisture content, but decreased with increase in heating temperature and heating time within the above ranges. Highest oil point pressure value of 1.1239 MPa was obtained at the processing conditions of 10.00 % moisture content, 50 °C heating temperature and 15 min heating time. The lowest oil point pressure obtained was 0.3164 MPa and it occurred at the moisture content of 4.78 %, heating temperature of 100 °C and heating time of 30 min. Analysis of Variance (ANOVA) showed that all the processing variables and their interactions had significant effect on the oil point pressure of moringa oleifera seed at 1 % level of significance. This was further demonstrated using Response Surface Methodology (RSM). Tukey's test and Duncan's Multiple Range Analysis successfully separated the means and a multiple regression equation was used to express the relationship existing between the oil point pressure of moringa oleifera seed and its moisture content, processing temperature, heating time and their interactions. The model yielded coefficients that enabled the oil point pressure of the seed to be predicted with very high coefficient of determination.

Gibbs free energy of transfer of a methylene group on {UCON + (sodium or potassium) phosphate salts} aqueous two-phase systems: Hydrophobicity effects

International Nuclear Information System (INIS)

Silverio, Sara C.; Rodriguez, Oscar; Teixeira, Jose A.; Macedo, Eugenia A.

2010-01-01

The Gibbs free energy of transfer of a suitable hydrophobic probe can be regarded as a measure of the relative hydrophobicity of the different phases. The methylene group (CH 2 ) can be considered hydrophobic, and thus be a suitable probe for hydrophobicity. In this work, the partition coefficients of a series of five dinitrophenylated-amino acids were experimentally determined, at 23 o C, in three different tie-lines of the biphasic systems: (UCON + K 2 HPO 4 ), (UCON + potassium phosphate buffer, pH 7), (UCON + KH 2 PO 4 ), (UCON + Na 2 HPO 4 ), (UCON + sodium phosphate buffer, pH 7), and (UCON + NaH 2 PO 4 ). The Gibbs free energy of transfer of CH 2 units were calculated from the partition coefficients and used to compare the relative hydrophobicity of the equilibrium phases. The largest relative hydrophobicity was found for the ATPS formed by dihydrogen phosphate salts.

Equilibrium modeling of gasification: Gibbs free energy minimization approach and its application to spouted bed and spout-fluid bed gasifiers

International Nuclear Information System (INIS)

Jarungthammachote, S.; Dutta, A.

2008-01-01

Spouted beds have been found in many applications, one of which is gasification. In this paper, the gasification processes of conventional and modified spouted bed gasifiers were considered. The conventional spouted bed is a central jet spouted bed, while the modified spouted beds are circular split spouted bed and spout-fluid bed. The Gibbs free energy minimization method was used to predict the composition of the producer gas. The major six components, CO, CO 2 , CH 4 , H 2 O, H 2 and N 2 , were determined in the mixture of the producer gas. The results showed that the carbon conversion in the gasification process plays an important role in the model. A modified model was developed by considering the carbon conversion in the constraint equations and in the energy balance calculation. The results from the modified model showed improvements. The higher heating values (HHV) were also calculated and compared with the ones from experiments. The agreements of the calculated and experimental values of HHV, especially in the case of the circular split spouted bed and the spout-fluid bed were observed

Are electrostatic potentials between regions of different chemical composition measurable? The Gibbs-Guggenheim Principle reconsidered, extended and its consequences revisited.

Science.gov (United States)

Pethica, Brian A

2007-12-21

As indicated by Gibbs and made explicit by Guggenheim, the electrical potential difference between two regions of different chemical composition cannot be measured. The Gibbs-Guggenheim Principle restricts the use of classical electrostatics in electrochemical theories as thermodynamically unsound with some few approximate exceptions, notably for dilute electrolyte solutions and concomitant low potentials where the linear limit for the exponential of the relevant Boltzmann distribution applies. The Principle invalidates the widespread use of forms of the Poisson-Boltzmann equation which do not include the non-electrostatic components of the chemical potentials of the ions. From a thermodynamic analysis of the parallel plate electrical condenser, employing only measurable electrical quantities and taking into account the chemical potentials of the components of the dielectric and their adsorption at the surfaces of the condenser plates, an experimental procedure to provide exceptions to the Principle has been proposed. This procedure is now reconsidered and rejected. No other related experimental procedures circumvent the Principle. Widely-used theoretical descriptions of electrolyte solutions, charged surfaces and colloid dispersions which neglect the Principle are briefly discussed. MD methods avoid the limitations of the Poisson-Bolzmann equation. Theoretical models which include the non-electrostatic components of the inter-ion and ion-surface interactions in solutions and colloid systems assume the additivity of dispersion and electrostatic forces. An experimental procedure to test this assumption is identified from the thermodynamics of condensers at microscopic plate separations. The available experimental data from Kelvin probe studies are preliminary, but tend against additivity. A corollary to the Gibbs-Guggenheim Principle is enunciated, and the Principle is restated that for any charged species, neither the difference in electrostatic potential nor the

Energy risk management through self-exciting marked point process

International Nuclear Information System (INIS)

Herrera, Rodrigo

2013-01-01

Crude oil is a dynamically traded commodity that affects many economies. We propose a collection of marked self-exciting point processes with dependent arrival rates for extreme events in oil markets and related risk measures. The models treat the time among extreme events in oil markets as a stochastic process. The main advantage of this approach is its capability to capture the short, medium and long-term behavior of extremes without involving an arbitrary stochastic volatility model or a prefiltration of the data, as is common in extreme value theory applications. We make use of the proposed model in order to obtain an improved estimate for the Value at Risk in oil markets. Empirical findings suggest that the reliability and stability of Value at Risk estimates improve as a result of finer modeling approach. This is supported by an empirical application in the representative West Texas Intermediate (WTI) and Brent crude oil markets. - Highlights: • We propose marked self-exciting point processes for extreme events in oil markets. • This approach captures the short and long-term behavior of extremes. • We improve the estimates for the VaR in the WTI and Brent crude oil markets

Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids

Science.gov (United States)

Toher, Cormac; Oses, Corey; Plata, Jose J.; Hicks, David; Rose, Frisco; Levy, Ohad; de Jong, Maarten; Asta, Mark; Fornari, Marco; Buongiorno Nardelli, Marco; Curtarolo, Stefano

2017-06-01

Thorough characterization of the thermomechanical properties of materials requires difficult and time-consuming experiments. This severely limits the availability of data and is one of the main obstacles for the development of effective accelerated materials design strategies. The rapid screening of new potential materials requires highly integrated, sophisticated, and robust computational approaches. We tackled the challenge by developing an automated, integrated workflow with robust error-correction within the AFLOW framework which combines the newly developed "Automatic Elasticity Library" with the previously implemented GIBBS method. The first extracts the mechanical properties from automatic self-consistent stress-strain calculations, while the latter employs those mechanical properties to evaluate the thermodynamics within the Debye model. This new thermoelastic workflow is benchmarked against a set of 74 experimentally characterized systems to pinpoint a robust computational methodology for the evaluation of bulk and shear moduli, Poisson ratios, Debye temperatures, Grüneisen parameters, and thermal conductivities of a wide variety of materials. The effect of different choices of equations of state and exchange-correlation functionals is examined and the optimum combination of properties for the Leibfried-Schlömann prediction of thermal conductivity is identified, leading to improved agreement with experimental results than the GIBBS-only approach. The framework has been applied to the AFLOW.org data repositories to compute the thermoelastic properties of over 3500 unique materials. The results are now available online by using an expanded version of the REST-API described in the Appendix.

Gibbs free energy of reactions involving SiC, Si3N4, H2, and H2O as a function of temperature and pressure

Science.gov (United States)

Isham, M. A.

1992-01-01

Silicon carbide and silicon nitride are considered for application as structural materials and coating in advanced propulsion systems including nuclear thermal. Three-dimensional Gibbs free energy were constructed for reactions involving these materials in H2 and H2/H2O. Free energy plots are functions of temperature and pressure. Calculations used the definition of Gibbs free energy where the spontaneity of reactions is calculated as a function of temperature and pressure. Silicon carbide decomposes to Si and CH4 in pure H2 and forms a SiO2 scale in a wet atmosphere. Silicon nitride remains stable under all conditions. There was no apparent difference in reaction thermodynamics between ideal and Van der Waals treatment of gaseous species.

The osmotic second virial coefficient and the Gibbs-McMillan-Mayer framework

DEFF Research Database (Denmark)

Mollerup, J.M.; Breil, Martin Peter

2009-01-01

The osmotic second virial coefficient is a key parameter in light scattering, protein crystallisation. self-interaction chromatography, and osmometry. The interpretation of the osmotic second virial coefficient depends on the set of independent variables. This commonly includes the independent...... variables associated with the Kirkwood-Buff, the McMillan-Mayer, and the Lewis-Randall solution theories. In this paper we analyse the osmotic second virial coefficient using a Gibbs-McMillan-Mayer framework which is similar to the McMillan-Mayer framework with the exception that pressure rather than volume...... is an independent variable. A Taylor expansion is applied to the osmotic pressure of a solution where one of the solutes is a small molecule, a salt for instance, that equilibrates between the two phases. Other solutes are retained. Solvents are small molecules that equilibrate between the two phases...

Mass measurement on the rp-process waiting point {sup 72}Kr

Energy Technology Data Exchange (ETDEWEB)

Rodriguez, D. [Gesellschaft fuer Schwerionenforschung mbH, Darmstadt (Germany); Kolhinen, V.S. [Jyvaeskylae Univ. (Finland); Audi, G. [CSNSM-IN2P3-Centre National de la Recherche Scientifique (CNRS), 91 - Orsay (FR)] [and others

2004-06-01

The mass of one of the three major waiting points in the astrophysical rp-process {sup 72}Kr was measured for the first time with the Penning trap mass spectrometer ISOLTRAP. The measurement yielded a relative mass uncertainty of {delta}m/m=1.2 x 10{sup -7} ({delta}m=8 keV). Other Kr isotopes, also needed for astrophysical calculations, were measured with more than one order of magnitude improved accuracy. We use the ISOLTRAP masses of{sup 72-74}Kr to reanalyze the role of the {sup 72}Kr waiting point in the rp-process during X-ray bursts. (orig.)

Gibb's energy and intermolecular free length of 'Borassus Flabellifier' (BF) and Adansonia digitata (AnD) aqueous binary mixture

International Nuclear Information System (INIS)

Phadke, Sushil; Shrivastava, Bhakt Darshan; Ujle, S K; Mishra, Ashutosh; Dagaonkar, N

2014-01-01

One of the potential driving forces behind a chemical reaction is favourable a new quantity known as the Gibbs free energy (G) of the system, which reflects the balance between these forces. Ultrasonic velocity and absorption measurements in liquids and liquid mixtures find extensive application to study the nature of intermolecular forces. Ultrasonic velocity measurements have been successfully employed to detect weak and strong molecular interactions present in binary and ternary liquid mixtures. After measuring the density and ultrasonic velocity of aqueous solution of 'Borassus Flabellifier' BF and Adansonia digitata And, we calculated Gibb's energy and intermolecular free length. The velocity of ultrasonic waves was measured, using a multi-frequency ultrasonic interferometer with a high degree of accuracy operating Model M-84 by M/s Mittal Enterprises, New Delhi, at a fixed frequency of 2 MHz. Natural sample 'Borassus Flabellifier' BF fruit pulp and Adansonia digitata AnD powder was collected from Dhar, District of MP, India for this study.

Spatio-temporal point process filtering methods with an application

Czech Academy of Sciences Publication Activity Database

Frcalová, B.; Beneš, V.; Klement, Daniel

2010-01-01

Roč. 21, 3-4 (2010), s. 240-252 ISSN 1180-4009 R&D Projects: GA AV ČR(CZ) IAA101120604 Institutional research plan: CEZ:AV0Z50110509 Keywords : cox point process * filtering * spatio-temporal modelling * spike Subject RIV: BA - General Mathematics Impact factor: 0.750, year: 2010

Thermodynamic analysis of ethanol/water system in a fuel cell reformer with the Gibbs energy minimization method

International Nuclear Information System (INIS)

Lima da Silva, Aline; De Fraga Malfatti, Celia; Heck, Nestor Cesar

2003-01-01

The use of fuel cells is a promising technology in the conversion of chemical to electrical energy. Due to environmental concerns related to the reduction of atmospheric pollution and greenhouse gases emissions such as CO 2 , NO x and hydrocarbons, there have been many researches about fuel cells using hydrogen as fuel. Hydrogen gas can be produced by several routes; a promising one is the steam reforming of ethanol. This route may become an important industrial process, especially for sugarcane producing countries. Ethanol is renewable energy and presents several advantages over other sources related to natural availability, storage and handling safety. In order to contribute to the understanding of the steam reforming of ethanol inside the reformer, this work displays a detailed thermodynamic analysis of the ethanol/water system, in the temperature range of 500-1200K, considering different H 2 O/ethanol reforming ratios. The equilibrium determinations were done with the help of the Gibbs energy minimization method using the Generalized Reduced Gradient algorithm (GRG). Based on literature data, the species considered in calculations were: H 2 , H 2 O, CO, CO 2 , CH 4 , C 2 H 4 , CH 3 CHO, C 2 H 5 OH (gas phase) and C gr . (graphite phase). The thermodynamic conditions for carbon deposition (probably soot) on catalyst during gas reforming were analyzed, in order to establish temperature ranges and H 2 O/ethanol ratios where carbon precipitation is not thermodynamically feasible. Experimental results from literature show that carbon deposition causes catalyst deactivation during reforming. This deactivation is due to encapsulating carbon that covers active phases on a catalyst substrate, e.g. Ni over Al 2 O 3 . In the present study, a mathematical relationship between Lagrange multipliers and the carbon activity (with reference to the graphite phase) was deduced, unveiling the carbon activity in the reformer atmosphere. From this, it is possible to foreseen if soot

Hierarchical spatial point process analysis for a plant community with high biodiversity

DEFF Research Database (Denmark)

Illian, Janine B.; Møller, Jesper; Waagepetersen, Rasmus

2009-01-01

A complex multivariate spatial point pattern of a plant community with high biodiversity is modelled using a hierarchical multivariate point process model. In the model, interactions between plants with different post-fire regeneration strategies are of key interest. We consider initially a maxim...

Use of linear free energy relationship to predict Gibbs free energies of formation of pyrochlore phases (CaMTi2O7)

International Nuclear Information System (INIS)

Xu, H.; Wang, Y.

1999-01-01

In this letter, a linear free energy relationship is used to predict the Gibbs free energies of formation of crystalline phases of pyrochlore and zirconolite families with stoichiometry of MCaTi 2 O 7 (or, CaMTi 2 O 7 ,) from the known thermodynamic properties of aqueous tetravalent cations (M 4+ ). The linear free energy relationship for tetravalent cations is expressed as ΔG f,M v X 0 =a M v X ΔG n,M 4+ 0 +b M v X +β M v X r M 4+ , where the coefficients a M v X , b M v X , and β M v X characterize a particular structural family of M v X, r M 4+ is the ionic radius of M 4+ cation, ΔG f,M v X 0 is the standard Gibbs free energy of formation of M v X, and ΔG n,M 4+ 0 is the standard non-solvation energy of cation M 4+ . The coefficients for the structural family of zirconolite with the stoichiometry of M 4+ CaTi 2 O 7 are estimated to be: a M v X =0.5717, b M v X =-4284.67 (kJ/mol), and β M v X =27.2 (kJ/mol nm). The coefficients for the structural family of pyrochlore with the stoichiometry of M 4+ CaTi 2 O 7 are estimated to be: a M v X =0.5717, b M v X =-4174.25 (kJ/mol), and β M v X =13.4 (kJ/mol nm). Using the linear free energy relationship, the Gibbs free energies of formation of various zirconolite and pyrochlore phases are calculated. (orig.)

About the choice of Gibbs' potential for modelling of FCC ↔ HCP transformation in FeMnSi-based shape memory alloys

Science.gov (United States)

Evard, Margarita E.; Volkov, Aleksandr E.; Belyaev, Fedor S.; Ignatova, Anna D.

2018-05-01

The choice of Gibbs' potential for microstructural modeling of FCC ↔ HCP martensitic transformation in FeMn-based shape memory alloys is discussed. Threefold symmetry of the HCP phase is taken into account on specifying internal variables characterizing volume fractions of martensite variants. Constraints imposed on model constants by thermodynamic equilibrium conditions are formulated.

A Marked Point Process Framework for Extracellular Electrical Potentials

Directory of Open Access Journals (Sweden)

Carlos A. Loza

2017-12-01

Full Text Available Neuromodulations are an important component of extracellular electrical potentials (EEP, such as the Electroencephalogram (EEG, Electrocorticogram (ECoG and Local Field Potentials (LFP. This spatially temporal organized multi-frequency transient (phasic activity reflects the multiscale spatiotemporal synchronization of neuronal populations in response to external stimuli or internal physiological processes. We propose a novel generative statistical model of a single EEP channel, where the collected signal is regarded as the noisy addition of reoccurring, multi-frequency phasic events over time. One of the main advantages of the proposed framework is the exceptional temporal resolution in the time location of the EEP phasic events, e.g., up to the sampling period utilized in the data collection. Therefore, this allows for the first time a description of neuromodulation in EEPs as a Marked Point Process (MPP, represented by their amplitude, center frequency, duration, and time of occurrence. The generative model for the multi-frequency phasic events exploits sparseness and involves a shift-invariant implementation of the clustering technique known as k-means. The cost function incorporates a robust estimation component based on correntropy to mitigate the outliers caused by the inherent noise in the EEP. Lastly, the background EEP activity is explicitly modeled as the non-sparse component of the collected signal to further improve the delineation of the multi-frequency phasic events in time. The framework is validated using two publicly available datasets: the DREAMS sleep spindles database and one of the Brain-Computer Interface (BCI competition datasets. The results achieve benchmark performance and provide novel quantitative descriptions based on power, event rates and timing in order to assess behavioral correlates beyond the classical power spectrum-based analysis. This opens the possibility for a unifying point process framework of

Investigation of Random Switching Driven by a Poisson Point Process

DEFF Research Database (Denmark)

Simonsen, Maria; Schiøler, Henrik; Leth, John-Josef

2015-01-01

This paper investigates the switching mechanism of a two-dimensional switched system, when the switching events are generated by a Poisson point process. A model, in the shape of a stochastic process, for such a system is derived and the distribution of the trajectory's position is developed...... together with marginal density functions for the coordinate functions. Furthermore, the joint probability distribution is given explicitly....

Linear and quadratic models of point process systems: contributions of patterned input to output.

Science.gov (United States)

Lindsay, K A; Rosenberg, J R

2012-08-01

In the 1880's Volterra characterised a nonlinear system using a functional series connecting continuous input and continuous output. Norbert Wiener, in the 1940's, circumvented problems associated with the application of Volterra series to physical problems by deriving from it a new series of terms that are mutually uncorrelated with respect to Gaussian processes. Subsequently, Brillinger, in the 1970's, introduced a point-process analogue of Volterra's series connecting point-process inputs to the instantaneous rate of point-process output. We derive here a new series from this analogue in which its terms are mutually uncorrelated with respect to Poisson processes. This new series expresses how patterned input in a spike train, represented by third-order cross-cumulants, is converted into the instantaneous rate of an output point-process. Given experimental records of suitable duration, the contribution of arbitrary patterned input to an output process can, in principle, be determined. Solutions for linear and quadratic point-process models with one and two inputs and a single output are investigated. Our theoretical results are applied to isolated muscle spindle data in which the spike trains from the primary and secondary endings from the same muscle spindle are recorded in response to stimulation of one and then two static fusimotor axons in the absence and presence of a random length change imposed on the parent muscle. For a fixed mean rate of input spikes, the analysis of the experimental data makes explicit which patterns of two input spikes contribute to an output spike. Copyright © 2012 Elsevier Ltd. All rights reserved.

The thermodynamic approach to boron chemical vapour deposition based on a computer minimization of the total Gibbs free energy

International Nuclear Information System (INIS)

Naslain, R.; Thebault, J.; Hagenmuller, P.; Bernard, C.

1979-01-01

A thermodynamic approach based on the minimization of the total Gibbs free energy of the system is used to study the chemical vapour deposition (CVD) of boron from BCl 3 -H 2 or BBr 3 -H 2 mixtures on various types of substrates (at 1000 < T< 1900 K and 1 atm). In this approach it is assumed that states close to equilibrium are reached in the boron CVD apparatus. (Auth.)

CLINSULF sub-dew-point process for sulphur recovery

Energy Technology Data Exchange (ETDEWEB)

Heisel, M.; Marold, F.

1988-01-01

In a 2-reactor system, the CLINSULF process allows very high sulphur recovery rates. When operated at 100/sup 0/C at the outlet, i.e. below the sulphur solidification point, a sulphur recovery rate of more than 99.2% was achieved in a 2-reactor series. Assuming a 70% sulphur recovery in an upstream Claus furnace plus sulphur condenser, an overall sulphur recovery of more than 99.8% results for the 2-reactor system. This is approximately 2% higher than in conventional Claus plus SDP units, which mostly consist of 4 reactors or more. This means the the CLINSULF SSP process promises to be an improvement both in respect of efficiency and low investment cost.

Digital analyzer for point processes based on first-in-first-out memories

Science.gov (United States)

Basano, Lorenzo; Ottonello, Pasquale; Schiavi, Enore

1992-06-01

We present an entirely new version of a multipurpose instrument designed for the statistical analysis of point processes, especially those characterized by high bunching. A long sequence of pulses can be recorded in the RAM bank of a personal computer via a suitably designed front end which employs a pair of first-in-first-out (FIFO) memories; these allow one to build an analyzer that, besides being simpler from the electronic point of view, is capable of sustaining much higher intensity fluctuations of the point process. The overflow risk of the device is evaluated by treating the FIFO pair as a queueing system. The apparatus was tested using both a deterministic signal and a sequence of photoelectrons obtained from laser light scattered by random surfaces.

Size and shape dependent Gibbs free energy and phase stability of titanium and zirconium nanoparticles

International Nuclear Information System (INIS)

Xiong Shiyun; Qi Weihong; Huang Baiyun; Wang Mingpu; Li Yejun

2010-01-01

The Debye model of Helmholtz free energy for bulk material is generalized to Gibbs free energy (GFE) model for nanomaterial, while a shape factor is introduced to characterize the shape effect on GFE. The structural transitions of Ti and Zr nanoparticles are predicted based on GFE. It is further found that GFE decreases with the shape factor and increases with decreasing of the particle size. The critical size of structural transformation for nanoparticles goes up as temperature increases in the absence of change in shape factor. For specified temperature, the critical size climbs up with the increase of shape factor. The present predictions agree well with experiment values.

Efficient point cloud data processing in shipbuilding: Reformative component extraction method and registration method

Directory of Open Access Journals (Sweden)

Jingyu Sun

2014-07-01

Full Text Available To survive in the current shipbuilding industry, it is of vital importance for shipyards to have the ship components’ accuracy evaluated efficiently during most of the manufacturing steps. Evaluating components’ accuracy by comparing each component’s point cloud data scanned by laser scanners and the ship’s design data formatted in CAD cannot be processed efficiently when (1 extract components from point cloud data include irregular obstacles endogenously, or when (2 registration of the two data sets have no clear direction setting. This paper presents reformative point cloud data processing methods to solve these problems. K-d tree construction of the point cloud data fastens a neighbor searching of each point. Region growing method performed on the neighbor points of the seed point extracts the continuous part of the component, while curved surface fitting and B-spline curved line fitting at the edge of the continuous part recognize the neighbor domains of the same component divided by obstacles’ shadows. The ICP (Iterative Closest Point algorithm conducts a registration of the two sets of data after the proper registration’s direction is decided by principal component analysis. By experiments conducted at the shipyard, 200 curved shell plates are extracted from the scanned point cloud data, and registrations are conducted between them and the designed CAD data using the proposed methods for an accuracy evaluation. Results show that the methods proposed in this paper support the accuracy evaluation targeted point cloud data processing efficiently in practice.

Monte Carlo full-waveform inversion of crosshole GPR data using multiple-point geostatistical a priori information

DEFF Research Database (Denmark)

Cordua, Knud Skou; Hansen, Thomas Mejer; Mosegaard, Klaus

2012-01-01

We present a general Monte Carlo full-waveform inversion strategy that integrates a priori information described by geostatistical algorithms with Bayesian inverse problem theory. The extended Metropolis algorithm can be used to sample the a posteriori probability density of highly nonlinear...... inverse problems, such as full-waveform inversion. Sequential Gibbs sampling is a method that allows efficient sampling of a priori probability densities described by geostatistical algorithms based on either two-point (e.g., Gaussian) or multiple-point statistics. We outline the theoretical framework......) Based on a posteriori realizations, complicated statistical questions can be answered, such as the probability of connectivity across a layer. (3) Complex a priori information can be included through geostatistical algorithms. These benefits, however, require more computing resources than traditional...

Standard enthalpy, entropy and Gibbs free energy of formation of «A» type carbonate phosphocalcium hydroxyapatites

International Nuclear Information System (INIS)

Jebri, Sonia; Khattech, Ismail; Jemal, Mohamed

2017-01-01

Highlights: • A-type carbonate hydroxyapatites with 0 ⩽ x ⩽ 1 were prepared and characterized by DRX, IR spectroscopy and CHN analysis. • The heat of solution was measured in 9 wt% HNO 3 using an isoperibol calorimeter. • The standard enthalpy of formation was determined by thermochemical cycle. • Gibbs free energy has been deduced by estimating standard entropy of formation. • Carbonatation increases the stability till x = 0.6 mol. - Abstract: « A » type carbonate phosphocalcium hydroxyapatites having the general formula Ca 10 (PO 4 ) 6 (OH) (2-2x) (CO 3 ) x with 0 ⩽ x ⩽ 1, were prepared by solid gas reaction in the temperature range of 700–1000 °C. The obtained materials were characterized by X-ray diffraction and infrared spectroscopy. The carbonate content has been determined by C–H–N analysis. The heat of solution of these products was measured at T = 298 K in 9 wt% nitric acid solution using an isoperibol calorimeter. A thermochemical cycle was proposed and complementary experiences were performed in order to access to the standard enthalpies of formation of these phosphates. The results were compared to those previously obtained on apatites containing strontium and barium and show a decrease with the carbonate amount introduced in the lattice. This quantity becomes more negative as the ratio of substitution increases. Estimation of the entropy of formation allowed the determination of standard Gibbs free energy of formation of these compounds. The study showed that the substitution of hydroxyl by carbonate ions contributes to the stabilisation of the apatite structure.

PARALLEL PROCESSING OF BIG POINT CLOUDS USING Z-ORDER-BASED PARTITIONING

Directory of Open Access Journals (Sweden)

C. Alis

2016-06-01

Full Text Available As laser scanning technology improves and costs are coming down, the amount of point cloud data being generated can be prohibitively difficult and expensive to process on a single machine. This data explosion is not only limited to point cloud data. Voluminous amounts of high-dimensionality and quickly accumulating data, collectively known as Big Data, such as those generated by social media, Internet of Things devices and commercial transactions, are becoming more prevalent as well. New computing paradigms and frameworks are being developed to efficiently handle the processing of Big Data, many of which utilize a compute cluster composed of several commodity grade machines to process chunks of data in parallel. A central concept in many of these frameworks is data locality. By its nature, Big Data is large enough that the entire dataset would not fit on the memory and hard drives of a single node hence replicating the entire dataset to each worker node is impractical. The data must then be partitioned across worker nodes in a manner that minimises data transfer across the network. This is a challenge for point cloud data because there exist different ways to partition data and they may require data transfer. We propose a partitioning based on Z-order which is a form of locality-sensitive hashing. The Z-order or Morton code is computed by dividing each dimension to form a grid then interleaving the binary representation of each dimension. For example, the Z-order code for the grid square with coordinates (x = 1 = 012, y = 3 = 112 is 10112 = 11. The number of points in each partition is controlled by the number of bits per dimension: the more bits, the fewer the points. The number of bits per dimension also controls the level of detail with more bits yielding finer partitioning. We present this partitioning method by implementing it on Apache Spark and investigating how different parameters affect the accuracy and running time of the k nearest

Improving multiple-point-based a priori models for inverse problems by combining Sequential Simulation with the Frequency Matching Method

DEFF Research Database (Denmark)

Cordua, Knud Skou; Hansen, Thomas Mejer; Lange, Katrine

In order to move beyond simplified covariance based a priori models, which are typically used for inverse problems, more complex multiple-point-based a priori models have to be considered. By means of marginal probability distributions ‘learned’ from a training image, sequential simulation has...... proven to be an efficient way of obtaining multiple realizations that honor the same multiple-point statistics as the training image. The frequency matching method provides an alternative way of formulating multiple-point-based a priori models. In this strategy the pattern frequency distributions (i.......e. marginals) of the training image and a subsurface model are matched in order to obtain a solution with the same multiple-point statistics as the training image. Sequential Gibbs sampling is a simulation strategy that provides an efficient way of applying sequential simulation based algorithms as a priori...

Two-step estimation for inhomogeneous spatial point processes

DEFF Research Database (Denmark)

Waagepetersen, Rasmus; Guan, Yongtao

This paper is concerned with parameter estimation for inhomogeneous spatial point processes with a regression model for the intensity function and tractable second order properties (K-function). Regression parameters are estimated using a Poisson likelihood score estimating function and in a second...... step minimum contrast estimation is applied for the residual clustering parameters. Asymptotic normality of parameter estimates is established under certain mixing conditions and we exemplify how the results may be applied in ecological studies of rain forests....

ALTERNATIVE METHODOLOGIES FOR THE ESTIMATION OF LOCAL POINT DENSITY INDEX: MOVING TOWARDS ADAPTIVE LIDAR DATA PROCESSING

Directory of Open Access Journals (Sweden)

Z. Lari

2012-07-01

Full Text Available Over the past few years, LiDAR systems have been established as a leading technology for the acquisition of high density point clouds over physical surfaces. These point clouds will be processed for the extraction of geo-spatial information. Local point density is one of the most important properties of the point cloud that highly affects the performance of data processing techniques and the quality of extracted information from these data. Therefore, it is necessary to define a standard methodology for the estimation of local point density indices to be considered for the precise processing of LiDAR data. Current definitions of local point density indices, which only consider the 2D neighbourhood of individual points, are not appropriate for 3D LiDAR data and cannot be applied for laser scans from different platforms. In order to resolve the drawbacks of these methods, this paper proposes several approaches for the estimation of the local point density index which take the 3D relationship among the points and the physical properties of the surfaces they belong to into account. In the simplest approach, an approximate value of the local point density for each point is defined while considering the 3D relationship among the points. In the other approaches, the local point density is estimated by considering the 3D neighbourhood of the point in question and the physical properties of the surface which encloses this point. The physical properties of the surfaces enclosing the LiDAR points are assessed through eigen-value analysis of the 3D neighbourhood of individual points and adaptive cylinder methods. This paper will discuss these approaches and highlight their impact on various LiDAR data processing activities (i.e., neighbourhood definition, region growing, segmentation, boundary detection, and classification. Experimental results from airborne and terrestrial LiDAR data verify the efficacy of considering local point density variation for

Bridging the gap between a stationary point process and its Palm distribution

NARCIS (Netherlands)

Nieuwenhuis, G.

1994-01-01

In the context of stationary point processes measurements are usually made from a time point chosen at random or from an occurrence chosen at random. That is, either the stationary distribution P or its Palm distribution P° is the ruling probability measure. In this paper an approach is presented to

The Relationship of Dynamical Heterogeneity to the Adam-Gibbs and Random First-Order Transition Theories of Glass Formation

OpenAIRE

Starr, Francis W.; Douglas, Jack F.; Sastry, Srikanth

2013-01-01

We carefully examine common measures of dynamical heterogeneity for a model polymer melt and test how these scales compare with those hypothesized by the Adam and Gibbs (AG) and random first-order transition (RFOT) theories of relaxation in glass-forming liquids. To this end, we first analyze clusters of highly mobile particles, the string-like collective motion of these mobile particles, and clusters of relative low mobility. We show that the time scale of the high-mobility clusters and stri...

A Gibbs potential expansion with a quantic system made up of a large number of particles; Un developpement du potentiel de Gibbs d'un systeme compose d'un grand nombre de particules

Energy Technology Data Exchange (ETDEWEB)

Bloch, Claude; Dominicis, Cyrano de [Commissariat a l' energie atomique et aux energies alternatives - CEA, Centre d' Etudes Nucleaires de Saclay, Gif-sur-Yvette (France)

1959-07-01

Starting from an expansion derived in a previous work, we study the contribution to the Gibbs potential of the two-body dynamical correlations, taking into account the statistical correlations. Such a contribution is of interest for low density systems at low temperature. In the zero density limit, it reduces to the Beth Uhlenbeck expression of the second virial coefficient. For a system of fermions in the zero temperature limit, it yields the contribution of the Brueckner reaction matrix to the ground state energy, plus, under certain conditions, additional terms of the form exp. (β |Δ|), where the Δ are the binding energies of 'bound states' of the type first discussed by L. Cooper. Finally, we study the wave function of two particles immersed in a medium (defined by its temperature and chemical potential). lt satisfies an equation generalizing the Bethe Goldstone equation for an arbitrary temperature. Reprint of a paper published in 'Nuclear Physics' 10, 1959, p. 181-196 [French] Partant d'un developpement extrait d'un precedent travail, nous etudions la contribution au potentiel de Gibbs des relations dynamiques du systeme de deux corps, en tenant compte des relations statistiques. Une telle contribution presente de l'interet pour les systemes a densite faible et a basse temperature. A la densite limite zero, elle se ramene a l'expression de Beth Uhlenbeck du second coefficient virial. Pour un systeme de fermions a la temperature limite zero, il produit la contribution de la matrice de reaction de Brueckner au niveau fondamental, plus, dans certaines conditions, des termes additionnels de la forme exp. (β |Δ|), ou les Δ sont les energies de liaison des 'etats lies' du premier type, discutes auparavant par L. Cooper. Finalement, on etudie la fonction d'onde de deux particules immerges dans un milieu (definie par sa temperature et son potentiel chimique). Il satisfait a une equation generalisant l'equation de Bethe Goldstone pour une temperature arbitraire

Two-step estimation for inhomogeneous spatial point processes

DEFF Research Database (Denmark)

Waagepetersen, Rasmus; Guan, Yongtao

2009-01-01

The paper is concerned with parameter estimation for inhomogeneous spatial point processes with a regression model for the intensity function and tractable second-order properties (K-function). Regression parameters are estimated by using a Poisson likelihood score estimating function and in the ...... and in the second step minimum contrast estimation is applied for the residual clustering parameters. Asymptotic normality of parameter estimates is established under certain mixing conditions and we exemplify how the results may be applied in ecological studies of rainforests....

Framework for adaptive multiscale analysis of nonhomogeneous point processes.

Science.gov (United States)

Helgason, Hannes; Bartroff, Jay; Abry, Patrice

2011-01-01

We develop the methodology for hypothesis testing and model selection in nonhomogeneous Poisson processes, with an eye toward the application of modeling and variability detection in heart beat data. Modeling the process' non-constant rate function using templates of simple basis functions, we develop the generalized likelihood ratio statistic for a given template and a multiple testing scheme to model-select from a family of templates. A dynamic programming algorithm inspired by network flows is used to compute the maximum likelihood template in a multiscale manner. In a numerical example, the proposed procedure is nearly as powerful as the super-optimal procedures that know the true template size and true partition, respectively. Extensions to general history-dependent point processes is discussed.

On estimation of the intensity function of a point process

NARCIS (Netherlands)

Lieshout, van M.N.M.

2010-01-01

Abstract. Estimation of the intensity function of spatial point processes is a fundamental problem. In this paper, we interpret the Delaunay tessellation field estimator recently introduced by Schaap and Van de Weygaert as an adaptive kernel estimator and give explicit expressions for the mean and

Analysis of multi-species point patterns using multivariate log Gaussian Cox processes

DEFF Research Database (Denmark)

Waagepetersen, Rasmus; Guan, Yongtao; Jalilian, Abdollah

Multivariate log Gaussian Cox processes are flexible models for multivariate point patterns. However, they have so far only been applied in bivariate cases. In this paper we move beyond the bivariate case in order to model multi-species point patterns of tree locations. In particular we address t...... of the data. The selected number of common latent fields provides an index of complexity of the multivariate covariance structure. Hierarchical clustering is used to identify groups of species with similar patterns of dependence on the common latent fields.......Multivariate log Gaussian Cox processes are flexible models for multivariate point patterns. However, they have so far only been applied in bivariate cases. In this paper we move beyond the bivariate case in order to model multi-species point patterns of tree locations. In particular we address...... the problems of identifying parsimonious models and of extracting biologically relevant information from the fitted models. The latent multivariate Gaussian field is decomposed into components given in terms of random fields common to all species and components which are species specific. This allows...

Application of random-point processes to the detection of radiation sources

International Nuclear Information System (INIS)

Woods, J.W.

1978-01-01

In this report the mathematical theory of random-point processes is reviewed and it is shown how use of the theory can obtain optimal solutions to the problem of detecting radiation sources. As noted, the theory also applies to image processing in low-light-level or low-count-rate situations. Paralleling Snyder's work, the theory is extended to the multichannel case of a continuous, two-dimensional (2-D), energy-time space. This extension essentially involves showing that the data are doubly stochastic Poisson (DSP) point processes in energy as well as time. Further, a new 2-D recursive formulation is presented for the radiation-detection problem with large computational savings over nonrecursive techniques when the number of channels is large (greater than or equal to 30). Finally, some adaptive strategies for on-line ''learning'' of unknown, time-varying signal and background-intensity parameters and statistics are present and discussed. These adaptive procedures apply when a complete statistical description is not available a priori

AKaplan-Meier estimators of distance distributions for spatial point processes

NARCIS (Netherlands)

Baddeley, A.J.; Gill, R.D.

1997-01-01

When a spatial point process is observed through a bounded window, edge effects hamper the estimation of characteristics such as the empty space function $F$, the nearest neighbour distance distribution $G$, and the reduced second order moment function $K$. Here we propose and study product-limit

Gibbs energy of the resolvation of glycylglycine and its anion in aqueous solutions of dimethylsulfoxide at 298.15 K

Science.gov (United States)

Naumov, V. V.; Isaeva, V. A.; Kuzina, E. N.; Sharnin, V. A.

2012-12-01

Gibbs energies for the transfer of glycylglycine and glycylglycinate ions from water to water-dimethylsulfoxide solvents are determined from the interface distribution of substances between immiscible phases in the composition range of 0.00 to 0.20 molar fractions of DMSO at 298.15 K. It is shown that with a rise in the concentration of nonaqueous components in solution, we observe the solvation of dipeptide and its anion, due mainly to the destabilization of the carboxyl group.

A case study on point process modelling in disease mapping

Czech Academy of Sciences Publication Activity Database

Beneš, Viktor; Bodlák, M.; Moller, J.; Waagepetersen, R.

2005-01-01

Roč. 24, č. 3 (2005), s. 159-168 ISSN 1580-3139 R&D Projects: GA MŠk 0021620839; GA ČR GA201/03/0946 Institutional research plan: CEZ:AV0Z10750506 Keywords : log Gaussian Cox point process * Bayesian estimation Subject RIV: BB - Applied Statistics, Operational Research

Simple computation of reaction–diffusion processes on point clouds

KAUST Repository

Macdonald, Colin B.

2013-05-20

The study of reaction-diffusion processes is much more complicated on general curved surfaces than on standard Cartesian coordinate spaces. Here we show how to formulate and solve systems of reaction-diffusion equations on surfaces in an extremely simple way, using only the standard Cartesian form of differential operators, and a discrete unorganized point set to represent the surface. Our method decouples surface geometry from the underlying differential operators. As a consequence, it becomes possible to formulate and solve rather general reaction-diffusion equations on general surfaces without having to consider the complexities of differential geometry or sophisticated numerical analysis. To illustrate the generality of the method, computations for surface diffusion, pattern formation, excitable media, and bulk-surface coupling are provided for a variety of complex point cloud surfaces.

Simple computation of reaction–diffusion processes on point clouds

KAUST Repository

Macdonald, Colin B.; Merriman, Barry; Ruuth, Steven J.

2013-01-01

The study of reaction-diffusion processes is much more complicated on general curved surfaces than on standard Cartesian coordinate spaces. Here we show how to formulate and solve systems of reaction-diffusion equations on surfaces in an extremely simple way, using only the standard Cartesian form of differential operators, and a discrete unorganized point set to represent the surface. Our method decouples surface geometry from the underlying differential operators. As a consequence, it becomes possible to formulate and solve rather general reaction-diffusion equations on general surfaces without having to consider the complexities of differential geometry or sophisticated numerical analysis. To illustrate the generality of the method, computations for surface diffusion, pattern formation, excitable media, and bulk-surface coupling are provided for a variety of complex point cloud surfaces.

Mean-field inference of Hawkes point processes

International Nuclear Information System (INIS)

Bacry, Emmanuel; Gaïffas, Stéphane; Mastromatteo, Iacopo; Muzy, Jean-François

2016-01-01

We propose a fast and efficient estimation method that is able to accurately recover the parameters of a d-dimensional Hawkes point-process from a set of observations. We exploit a mean-field approximation that is valid when the fluctuations of the stochastic intensity are small. We show that this is notably the case in situations when interactions are sufficiently weak, when the dimension of the system is high or when the fluctuations are self-averaging due to the large number of past events they involve. In such a regime the estimation of a Hawkes process can be mapped on a least-squares problem for which we provide an analytic solution. Though this estimator is biased, we show that its precision can be comparable to the one of the maximum likelihood estimator while its computation speed is shown to be improved considerably. We give a theoretical control on the accuracy of our new approach and illustrate its efficiency using synthetic datasets, in order to assess the statistical estimation error of the parameters. (paper)

Variational approach for spatial point process intensity estimation

DEFF Research Database (Denmark)

Coeurjolly, Jean-Francois; Møller, Jesper

is assumed to be of log-linear form β+θ⊤z(u) where z is a spatial covariate function and the focus is on estimating θ. The variational estimator is very simple to implement and quicker than alternative estimation procedures. We establish its strong consistency and asymptotic normality. We also discuss its...... finite-sample properties in comparison with the maximum first order composite likelihood estimator when considering various inhomogeneous spatial point process models and dimensions as well as settings were z is completely or only partially known....

Size Fluctuations of Near Critical Nuclei and Gibbs Free Energy for Nucleation of BDA on Cu(001)

Science.gov (United States)

Schwarz, Daniel; van Gastel, Raoul; Zandvliet, Harold J. W.; Poelsema, Bene

2012-07-01

We present a low-energy electron microscopy study of nucleation and growth of BDA on Cu(001) at low supersaturation. At sufficiently high coverage, a dilute BDA phase coexists with c(8×8) crystallites. The real-time microscopic information allows a direct visualization of near-critical nuclei, determination of the supersaturation and the line tension of the crystallites, and, thus, derivation of the Gibbs free energy for nucleation. The resulting critical nucleus size nicely agrees with the measured value. Nuclei up to 4-6 times larger still decay with finite probability, urging reconsideration of the classic perception of a critical nucleus.

On the temperature dependence of the Adam-Gibbs equation around the crossover region in the glass transition

Science.gov (United States)

Duque, Michel; Andraca, Adriana; Goldstein, Patricia; del Castillo, Luis Felipe

2018-04-01

The Adam-Gibbs equation has been used for more than five decades, and still a question remains unanswered on the temperature dependence of the chemical potential it includes. Nowadays, it is a well-known fact that in fragile glass formers, actually the behavior of the system depends on the temperature region it is being studied. Transport coefficients change due to the appearance of heterogeneity in the liquid as it is supercooled. Using the different forms for the logarithmic shift factor and the form of the configurational entropy, we evaluate this temperature dependence and present a discussion on our results.

A procedure to compute equilibrium concentrations in multicomponent systems by Gibbs energy minimization on spreadsheets

International Nuclear Information System (INIS)

Lima da Silva, Aline; Heck, Nestor Cesar

2003-01-01

Equilibrium concentrations are traditionally calculated with the help of equilibrium constant equations from selected reactions. This procedure, however, is only useful for simpler problems. Analysis of the equilibrium state in a multicomponent and multiphase system necessarily involves solution of several simultaneous equations, and, as the number of system components grows, the required computation becomes more complex and tedious. A more direct and general method for solving the problem is the direct minimization of the Gibbs energy function. The solution for the nonlinear problem consists in minimizing the objective function (Gibbs energy of the system) subjected to the constraints of the elemental mass-balance. To solve it, usually a computer code is developed, which requires considerable testing and debugging efforts. In this work, a simple method to predict equilibrium composition in multicomponent systems is presented, which makes use of an electronic spreadsheet. The ability to carry out these calculations within a spreadsheet environment shows several advantages. First, spreadsheets are available 'universally' on nearly all personal computers. Second, the input and output capabilities of spreadsheets can be effectively used to monitor calculated results. Third, no additional systems or programs need to be learned. In this way, spreadsheets can be as suitable in computing equilibrium concentrations as well as to be used as teaching and learning aids. This work describes, therefore, the use of the Solver tool, contained in the Microsoft Excel spreadsheet package, on computing equilibrium concentrations in a multicomponent system, by the method of direct Gibbs energy minimization. The four phases Fe-Cr-O-C-Ni system is used as an example to illustrate the method proposed. The pure stoichiometric phases considered in equilibrium calculations are: Cr 2 O 3 (s) and FeO C r 2 O 3 (s). The atmosphere consists of O 2 , CO e CO 2 constituents. The liquid iron

Spatial point process analysis for a plant community with high biodiversity

DEFF Research Database (Denmark)

Illian, Janine; Møller, Jesper; Waagepetersen, Rasmus Plenge

A complex multivariate spatial point pattern for a plant community with high biodiversity is modelled using a hierarchical multivariate point process model. In the model, interactions between plants with different post-fire regeneration strategies are of key interest. We consider initially...... a maximum likelihood approach to inference where problems arise due to unknown interaction radii for the plants. We next demonstrate that a Bayesian approach provides a flexible framework for incorporating prior information concerning the interaction radii. From an ecological perspective, we are able both...

End point detection in ion milling processes by sputter-induced optical emission spectroscopy

International Nuclear Information System (INIS)

Lu, C.; Dorian, M.; Tabei, M.; Elsea, A.

1984-01-01

The characteristic optical emission from the sputtered material during ion milling processes can provide an unambiguous indication of the presence of the specific etched species. By monitoring the intensity of a representative emission line, the etching process can be precisely terminated at an interface. Enhancement of the etching end point is possible by using a dual-channel photodetection system operating in a ratio or difference mode. The installation of the optical detection system to an existing etching chamber has been greatly facilitated by the use of optical fibers. Using a commercial ion milling system, experimental data for a number of etching processes have been obtained. The result demonstrates that sputter-induced optical emission spectroscopy offers many advantages over other techniques in detecting the etching end point of ion milling processes

Origin of the correlation between the standard Gibbs energies of ion transfer from water to a hydrophobic ionic liquid and to a molecular solvent

Czech Academy of Sciences Publication Activity Database

Langmaier, Jan; Záliš, Stanislav; Samec, Zdeněk; Bovtun, Viktor; Kempa, Martin

2013-01-01

Roč. 87, JAN 2013 (2013), s. 591-598 ISSN 0013-4686 R&D Projects: GA ČR GAP206/11/0707 Institutional support: RVO:61388955 ; RVO:68378271 Keywords : ionic liquid s * cyclic voltammetry * standard Gibbs energy of ion transfer Subject RIV: CG - Electrochemistry Impact factor: 4.086, year: 2013

Bayesian inference for multivariate point processes observed at sparsely distributed times

DEFF Research Database (Denmark)

Rasmussen, Jakob Gulddahl; Møller, Jesper; Aukema, B.H.

We consider statistical and computational aspects of simulation-based Bayesian inference for a multivariate point process which is only observed at sparsely distributed times. For specicity we consider a particular data set which has earlier been analyzed by a discrete time model involving unknown...... normalizing constants. We discuss the advantages and disadvantages of using continuous time processes compared to discrete time processes in the setting of the present paper as well as other spatial-temporal situations. Keywords: Bark beetle, conditional intensity, forest entomology, Markov chain Monte Carlo...

Assessment of Peer Mediation Process from Conflicting Students’ Point of Views

Directory of Open Access Journals (Sweden)

Fulya TÜRK

2016-12-01

Full Text Available The purpose of this study was to analyze peer mediation process that was applied in a high school on conflicting students’ point of views. This research was carried out in a high school in Denizli. After ten sessions of training in peer mediation, peer mediators mediated peers’ real conflicts. In the research, 41 students (28 girls, 13 boys who got help at least once were interviewed as a party to the conflict. Through semistructured interviews with conflicting students, the mediation process has been evaluated through the point of views of students. Eight questions were asked about the conflicting parties. Verbal data obtained from interviews were analyzed using the content analysis. When conflicting students’ opinions and experiences about peer mediation were analyzed, it is seen that they were satisfied regarding the process, they have resolved their conflicts in a constructive and peaceful way, their friendship has been continuing as before. All of these results also indicate that peer mediation is an effective method of resolving student conflicts constructively

Hazard analysis and critical control point (HACCP) for an ultrasound food processing operation.

Science.gov (United States)

Chemat, Farid; Hoarau, Nicolas

2004-05-01

Emerging technologies, such as ultrasound (US), used for food and drink production often cause hazards for product safety. Classical quality control methods are inadequate to control these hazards. Hazard analysis of critical control points (HACCP) is the most secure and cost-effective method for controlling possible product contamination or cross-contamination, due to physical or chemical hazard during production. The following case study on the application of HACCP to an US food-processing operation demonstrates how the hazards at the critical control points of the process are effectively controlled through the implementation of HACCP.

Novel evaluation metrics for sparse spatio-temporal point process hotspot predictions - a crime case study

OpenAIRE

Adepeju, M.; Rosser, G.; Cheng, T.

2016-01-01

Many physical and sociological processes are represented as discrete events in time and space. These spatio-temporal point processes are often sparse, meaning that they cannot be aggregated and treated with conventional regression models. Models based on the point process framework may be employed instead for prediction purposes. Evaluating the predictive performance of these models poses a unique challenge, as the same sparseness prevents the use of popular measures such as the root mean squ...

Putting to point the production process of iodine-131 by dry distillation (Preoperational tests)

International Nuclear Information System (INIS)

Alanis M, J.

2002-12-01

With the purpose of putting to point the process of production of 131 I, one of the objectives of carrying out the realization of operational tests of the production process of iodine-131, it was of verifying the operation of each one of the following components: heating systems, vacuum system, mechanical system and peripheral equipment that are part of the production process of iodine-131, another of the objectives, was settling down the optimal parameters that were applied in each process during the obtaining of iodine-131, it is necessary to point out that this objective is very important, since the components of the equipment are new and its behavior during the process is different to the equipment where its were carried out the experimental studies. (Author)

Thermodynamics of non-ionic surfactant Triton X-100-cationic surfactants mixtures at the cloud point

International Nuclear Information System (INIS)

Batigoec, Cigdem; Akbas, Halide; Boz, Mesut

2011-01-01

Highlights: → Non-ionic surfactants are used as emulsifier and solubilizate in such as textile, detergent and cosmetic. → Non-ionic surfactants occur phase separation at temperature as named the cloud point in solution. → Dimeric surfactants have attracted increasing attention due to their superior surface activity. → The positive values of ΔG cp 0 indicate that the process proceeds nonspontaneous. - Abstract: This study investigates the effects of gemini and conventional cationic surfactants on the cloud point (CP) of the non-ionic surfactant Triton X-100 (TX-100) in aqueous solutions. Instead of visual observation, a spectrophotometer was used for measurement of the cloud point temperatures. The thermodynamic parameters of these mixtures were calculated at different cationic surfactant concentrations. The gemini surfactants of the alkanediyl-α-ω-bis (alkyldimethylammonium) dibromide type, on the one hand, with different alkyl groups containing m carbon atoms and an ethanediyl spacer, referred to as 'm-2-m' (m = 10, 12, and 16) and, on the other hand, with -C 16 alkyl groups and different spacers containing s carbon atoms, referred to as '16-s-16' (s = 6 and 10) were synthesized, purified and characterized. Additions of the cationic surfactants to the TX-100 solution increased the cloud point temperature of the TX-100 solution. It was accepted that the solubility of non-ionic surfactant containing polyoxyethylene (POE) hydrophilic chain was a maximum at the cloud point so that the thermodynamic parameters were calculated at this temperature. The results showed that the standard Gibbs free energy (ΔG cp 0 ), the enthalpy (ΔH cp 0 ) and the entropy (ΔS cp 0 ) of the clouding phenomenon were found positive in all cases. The standard free energy (ΔG cp 0 ) increased with increasing hydrophobic alkyl chain for both gemini and conventional cationic surfactants; however, it decreased with increasing surfactant concentration.

Thermodynamic description of the Al–Mg–Si system using a new formulation for the temperature dependence of the excess Gibbs energy

International Nuclear Information System (INIS)

Tang, Ying; Du, Yong; Zhang, Lijun; Yuan, Xiaoming; Kaptay, George

2012-01-01

Highlights: ► An exponential formulation to describe ternary excess Gibbs energy is proposed. ► Theoretical analysis is performed to verify stability of phase using new formulation. ► Al–Mg–Si system and its boundary binaries have been assessed by the new formulation. ► Present calculations for Al–Mg–Si system are more reasonable than previous ones. - Abstract: An exponential formulation was proposed to replace the linear interaction parameter in the Redlich–Kister (R–K) polynomial for the excess Gibbs energy of ternary solution phase. The theoretical analysis indicates that the proposed new exponential formulation can not only avoid the artificial miscibility gap at high temperatures but also describe the ternary system well. A thermodynamic description for the Al–Mg–Si system and its boundary binaries was then performed by using both R–K linear and exponential formulations. The inverted miscibility gaps occurring in the Mg–Si and the Al–Mg–Si systems at high temperatures due to the use of R–K linear polynomials are avoided by using the new formulation. Besides, the thermodynamic properties predicted with the new formulation confirm the general thermodynamic belief that the solution phase approaches to the ideal solution at infinite temperatures, which cannot be described with the traditional R–K linear polynomials.

Statistical representation of a spray as a point process

International Nuclear Information System (INIS)

Subramaniam, S.

2000-01-01

The statistical representation of a spray as a finite point process is investigated. One objective is to develop a better understanding of how single-point statistical information contained in descriptions such as the droplet distribution function (ddf), relates to the probability density functions (pdfs) associated with the droplets themselves. Single-point statistical information contained in the droplet distribution function (ddf) is shown to be related to a sequence of single surrogate-droplet pdfs, which are in general different from the physical single-droplet pdfs. It is shown that the ddf contains less information than the fundamental single-point statistical representation of the spray, which is also described. The analysis shows which events associated with the ensemble of spray droplets can be characterized by the ddf, and which cannot. The implications of these findings for the ddf approach to spray modeling are discussed. The results of this study also have important consequences for the initialization and evolution of direct numerical simulations (DNS) of multiphase flows, which are usually initialized on the basis of single-point statistics such as the droplet number density in physical space. If multiphase DNS are initialized in this way, this implies that even the initial representation contains certain implicit assumptions concerning the complete ensemble of realizations, which are invalid for general multiphase flows. Also the evolution of a DNS initialized in this manner is shown to be valid only if an as yet unproven commutation hypothesis holds true. Therefore, it is questionable to what extent DNS that are initialized in this manner constitute a direct simulation of the physical droplets. Implications of these findings for large eddy simulations of multiphase flows are also discussed. (c) 2000 American Institute of Physics

MODELLING AND SIMULATION OF A NEUROPHYSIOLOGICAL EXPERIMENT BY SPATIO-TEMPORAL POINT PROCESSES

Directory of Open Access Journals (Sweden)

Viktor Beneš

2011-05-01

Full Text Available We present a stochastic model of an experimentmonitoring the spiking activity of a place cell of hippocampus of an experimental animal moving in an arena. Doubly stochastic spatio-temporal point process is used to model and quantify overdispersion. Stochastic intensity is modelled by a Lévy based random field while the animal path is simplified to a discrete random walk. In a simulation study first a method suggested previously is used. Then it is shown that a solution of the filtering problem yields the desired inference to the random intensity. Two approaches are suggested and the new one based on finite point process density is applied. Using Markov chain Monte Carlo we obtain numerical results from the simulated model. The methodology is discussed.

Dense range images from sparse point clouds using multi-scale processing

NARCIS (Netherlands)

Do, Q.L.; Ma, L.; With, de P.H.N.

2013-01-01

Multi-modal data processing based on visual and depth/range images has become relevant in computer vision for 3D reconstruction applications such as city modeling, robot navigation etc. In this paper, we generate highaccuracy dense range images from sparse point clouds to facilitate such

Scan Order in Gibbs Sampling: Models in Which it Matters and Bounds on How Much.

Science.gov (United States)

He, Bryan; De Sa, Christopher; Mitliagkas, Ioannis; Ré, Christopher

2016-01-01

Gibbs sampling is a Markov Chain Monte Carlo sampling technique that iteratively samples variables from their conditional distributions. There are two common scan orders for the variables: random scan and systematic scan. Due to the benefits of locality in hardware, systematic scan is commonly used, even though most statistical guarantees are only for random scan. While it has been conjectured that the mixing times of random scan and systematic scan do not differ by more than a logarithmic factor, we show by counterexample that this is not the case, and we prove that that the mixing times do not differ by more than a polynomial factor under mild conditions. To prove these relative bounds, we introduce a method of augmenting the state space to study systematic scan using conductance.

Using a Virtual Experiment to Analyze Infiltration Process from Point to Grid-cell Size Scale

Science.gov (United States)

Barrios, M. I.

2013-12-01

The hydrological science requires the emergence of a consistent theoretical corpus driving the relationships between dominant physical processes at different spatial and temporal scales. However, the strong spatial heterogeneities and non-linearities of these processes make difficult the development of multiscale conceptualizations. Therefore, scaling understanding is a key issue to advance this science. This work is focused on the use of virtual experiments to address the scaling of vertical infiltration from a physically based model at point scale to a simplified physically meaningful modeling approach at grid-cell scale. Numerical simulations have the advantage of deal with a wide range of boundary and initial conditions against field experimentation. The aim of the work was to show the utility of numerical simulations to discover relationships between the hydrological parameters at both scales, and to use this synthetic experience as a media to teach the complex nature of this hydrological process. The Green-Ampt model was used to represent vertical infiltration at point scale; and a conceptual storage model was employed to simulate the infiltration process at the grid-cell scale. Lognormal and beta probability distribution functions were assumed to represent the heterogeneity of soil hydraulic parameters at point scale. The linkages between point scale parameters and the grid-cell scale parameters were established by inverse simulations based on the mass balance equation and the averaging of the flow at the point scale. Results have shown numerical stability issues for particular conditions and have revealed the complex nature of the non-linear relationships between models' parameters at both scales and indicate that the parameterization of point scale processes at the coarser scale is governed by the amplification of non-linear effects. The findings of these simulations have been used by the students to identify potential research questions on scale issues

Use of linear free energy relationship to predict Gibbs free energies of formation of zirconolite phases (MZrTi2O7 and MHfTi2O7)

International Nuclear Information System (INIS)

Xu, H.

1999-01-01

In this letter, the Sverjensky-Molling equation derived from a linear free energy relationship is used to calculate the Gibbs free energies of formation of zirconolite crystalline phases (MZrTi 2 O 7 and MHfTi 2 O 7 ) from the known thermodynamic properties of the corresponding aqueous divalent cations (M 2+ ). Sverjensky-Molling equation is expressed as ΔG 0 f,M v X =a M v X ΔG 0 n,M 2+ +b M v X +β M v X r M 2+ , where the coefficients a M v X , b M v X , and β M v X characterize a particular structural family of M v X, r M 2+ is the ionic radius of M 2+ cation, ΔG f,M v X 0 is the standard Gibbs free energy of formation of M v X, and ΔG 0 n,M 2+ is the standard non-solvation energy of cation M 2+ . This relationship can be used to predict the Gibbs free energies of formation of various fictive phases (such as BaZrTi 2 O 7 , SrZrTi 2 O 7 , PbZrTi 2 O 7 , etc.) that may form solid solution with CaZrTi 2 O 7 in actual Synroc-based nuclear waste forms. Based on obtained linear free energy relationships, it is predicted that large cations (e.g., Ba and Ra) prefer to be in perovskite structure, and small cations (e.g., Ca, Zn, and Cd) prefer to be in zirconolite structure. (orig.)

Gibbs free energy difference between the undercooled liquid and the beta phase of a Ti-Cr alloy

Science.gov (United States)

Ohsaka, K.; Trinh, E. H.; Holzer, J. C.; Johnson, W. L.

1992-01-01

The heat of fusion and the specific heats of the solid and liquid have been experimentally determined for a Ti60Cr40 alloy. The data are used to evaluate the Gibbs free energy difference, delta-G, between the liquid and the beta phase as a function of temperature to verify a reported spontaneous vitrification (SV) of the beta phase in Ti-Cr alloys. The results show that SV of an undistorted beta phase in the Ti60Cr40 alloy at 873 K is not feasible because delta-G is positive at the temperature. However, delta-G may become negative with additional excess free energy to the beta phase in the form of defects.

A Multi-Point Method Considering the Maximum Power Point Tracking Dynamic Process for Aerodynamic Optimization of Variable-Speed Wind Turbine Blades

Directory of Open Access Journals (Sweden)

Zhiqiang Yang

2016-05-01

Full Text Available Due to the dynamic process of maximum power point tracking (MPPT caused by turbulence and large rotor inertia, variable-speed wind turbines (VSWTs cannot maintain the optimal tip speed ratio (TSR from cut-in wind speed up to the rated speed. Therefore, in order to increase the total captured wind energy, the existing aerodynamic design for VSWT blades, which only focuses on performance improvement at a single TSR, needs to be improved to a multi-point design. In this paper, based on a closed-loop system of VSWTs, including turbulent wind, rotor, drive train and MPPT controller, the distribution of operational TSR and its description based on inflow wind energy are investigated. Moreover, a multi-point method considering the MPPT dynamic process for the aerodynamic optimization of VSWT blades is proposed. In the proposed method, the distribution of operational TSR is obtained through a dynamic simulation of the closed-loop system under a specific turbulent wind, and accordingly the multiple design TSRs and the corresponding weighting coefficients in the objective function are determined. Finally, using the blade of a National Renewable Energy Laboratory (NREL 1.5 MW wind turbine as the baseline, the proposed method is compared with the conventional single-point optimization method using the commercial software Bladed. Simulation results verify the effectiveness of the proposed method.

Apparatus and method for implementing power saving techniques when processing floating point values

Science.gov (United States)

Kim, Young Moon; Park, Sang Phill

2017-10-03

An apparatus and method are described for reducing power when reading and writing graphics data. For example, one embodiment of an apparatus comprises: a graphics processor unit (GPU) to process graphics data including floating point data; a set of registers, at least one of the registers of the set partitioned to store the floating point data; and encode/decode logic to reduce a number of binary 1 values being read from the at least one register by causing a specified set of bit positions within the floating point data to be read out as 0s rather than 1s.

Contract Management of LHC Civil Engineering at Point 5

CERN Document Server

Osborne, J A

1999-01-01

Civil engineering work commenced in August 1998 at LEP Point 5 for the underground and surface works necessary to accommodate the CMS detector for the LHC project. The principal underground works consist of two parallel caverns, separated by a support pillar, two new shafts, a number of smaller connection and service galleries and tunnel enlargements on the existing LEP tunnel. The surface works consist of the 140 m long SX building for the detector assembly and numerous other steel and concrete structures necessary for the installation and operation of CMS. The civil engineering design and supervision has been awarded to a joint venture of Gibb (UK), SGI (Switzerland) and Geoconsult (Austria), and the contracting to a joint venture of Dragados (Spain) and Seli (Italy) for 112 MCHF. The aim of this paper is to discuss the management of this contract and in particular how the various parties interact in order to work most efficiently.

Self-Exciting Point Process Modeling of Conversation Event Sequences

Science.gov (United States)

Masuda, Naoki; Takaguchi, Taro; Sato, Nobuo; Yano, Kazuo

Self-exciting processes of Hawkes type have been used to model various phenomena including earthquakes, neural activities, and views of online videos. Studies of temporal networks have revealed that sequences of social interevent times for individuals are highly bursty. We examine some basic properties of event sequences generated by the Hawkes self-exciting process to show that it generates bursty interevent times for a wide parameter range. Then, we fit the model to the data of conversation sequences recorded in company offices in Japan. In this way, we can estimate relative magnitudes of the self excitement, its temporal decay, and the base event rate independent of the self excitation. These variables highly depend on individuals. We also point out that the Hawkes model has an important limitation that the correlation in the interevent times and the burstiness cannot be independently modulated.

Structured spatio-temporal shot-noise Cox point process models, with a view to modelling forest fires

DEFF Research Database (Denmark)

Møller, Jesper; Diaz-Avalos, Carlos

Spatio-temporal Cox point process models with a multiplicative structure for the driving random intensity, incorporating covariate information into temporal and spatial components, and with a residual term modelled by a shot-noise process, are considered. Such models are flexible and tractable fo...... dataset consisting of 2796 days and 5834 spatial locations of fires. The model is compared with a spatio-temporal log-Gaussian Cox point process model, and likelihood-based methods are discussed to some extent....

Structured Spatio-temporal shot-noise Cox point process models, with a view to modelling forest fires

DEFF Research Database (Denmark)

Møller, Jesper; Diaz-Avalos, Carlos

2010-01-01

Spatio-temporal Cox point process models with a multiplicative structure for the driving random intensity, incorporating covariate information into temporal and spatial components, and with a residual term modelled by a shot-noise process, are considered. Such models are flexible and tractable fo...... data set consisting of 2796 days and 5834 spatial locations of fires. The model is compared with a spatio-temporal log-Gaussian Cox point process model, and likelihood-based methods are discussed to some extent....

Georeferenced Point Clouds: A Survey of Features and Point Cloud Management

Directory of Open Access Journals (Sweden)

Johannes Otepka

2013-10-01

Full Text Available This paper presents a survey of georeferenced point clouds. Concentration is, on the one hand, put on features, which originate in the measurement process themselves, and features derived by processing the point cloud. On the other hand, approaches for the processing of georeferenced point clouds are reviewed. This includes the data structures, but also spatial processing concepts. We suggest a categorization of features into levels that reflect the amount of processing. Point clouds are found across many disciplines, which is reflected in the versatility of the literature suggesting specific features.

Bubble point pressures of the selected model system for CatLiq® bio-oil process

DEFF Research Database (Denmark)

Toor, Saqib Sohail; Rosendahl, Lasse; Baig, Muhammad Noman

2010-01-01

. In this work, the bubble point pressures of a selected model mixture (CO2 + H2O + Ethanol + Acetic acid + Octanoic acid) were measured to investigate the phase boundaries of the CatLiq® process. The bubble points were measured in the JEFRI-DBR high pressure PVT phase behavior system. The experimental results......The CatLiq® process is a second generation catalytic liquefaction process for the production of bio-oil from WDGS (Wet Distillers Grains with Solubles) at subcritical conditions (280-350 oC and 225-250 bar) in the presence of a homogeneous alkaline and a heterogeneous Zirconia catalyst...

Processing Terrain Point Cloud Data

KAUST Repository

DeVore, Ronald; Petrova, Guergana; Hielsberg, Matthew; Owens, Luke; Clack, Billy; Sood, Alok

2013-01-01

Terrain point cloud data are typically acquired through some form of Light Detection And Ranging sensing. They form a rich resource that is important in a variety of applications including navigation, line of sight, and terrain visualization

A Combined Control Chart for Identifying Out–Of–Control Points in Multivariate Processes

Directory of Open Access Journals (Sweden)

Marroquín–Prado E.

2010-10-01

Full Text Available The Hotelling's T2 control chart is widely used to identify out–of–control signals in multivariate processes. However, this chart is not sensitive to small shifts in the process mean vec tor. In this work we propose a control chart to identify out–of–control signals. The proposed chart is a combination of Hotelling's T2 chart, M chart proposed by Hayter et al. (1994 and a new chart based on Principal Components. The combination of these charts identifies any type and size of change in the process mean vector. Us ing simulation and the Average Run Length (ARL, the performance of the proposed control chart is evaluated. The ARL means the average points within control before an out–of–control point is detected, The results of the simulation show that the proposed chart is more sensitive that each one of the three charts individually

Point process analyses of variations in smoking rate by setting, mood, gender, and dependence

Science.gov (United States)

Shiffman, Saul; Rathbun, Stephen L.

2010-01-01

The immediate emotional and situational antecedents of ad libitum smoking are still not well understood. We re-analyzed data from Ecological Momentary Assessment using novel point-process analyses, to assess how craving, mood, and social setting influence smoking rate, as well as assessing the moderating effects of gender and nicotine dependence. 304 smokers recorded craving, mood, and social setting using electronic diaries when smoking and at random nonsmoking times over 16 days of smoking. Point-process analysis, which makes use of the known random sampling scheme for momentary variables, examined main effects of setting and interactions with gender and dependence. Increased craving was associated with higher rates of smoking, particularly among women. Negative affect was not associated with smoking rate, even in interaction with arousal, but restlessness was associated with substantially higher smoking rates. Women's smoking tended to be less affected by negative affect. Nicotine dependence had little moderating effect on situational influences. Smoking rates were higher when smokers were alone or with others smoking, and smoking restrictions reduced smoking rates. However, the presence of others smoking undermined the effects of restrictions. The more sensitive point-process analyses confirmed earlier findings, including the surprising conclusion that negative affect by itself was not related to smoking rates. Contrary to hypothesis, men's and not women's smoking was influenced by negative affect. Both smoking restrictions and the presence of others who are not smoking suppress smoking, but others’ smoking undermines the effects of restrictions. Point-process analyses of EMA data can bring out even small influences on smoking rate. PMID:21480683

A case study on point process modelling in disease mapping

DEFF Research Database (Denmark)

Møller, Jesper; Waagepetersen, Rasmus Plenge; Benes, Viktor

2005-01-01

of the risk on the covariates. Instead of using the common areal level approaches we base the analysis on a Bayesian approach for a log Gaussian Cox point process with covariates. Posterior characteristics for a discretized version of the log Gaussian Cox process are computed using Markov chain Monte Carlo...... methods. A particular problem which is thoroughly discussed is to determine a model for the background population density. The risk map shows a clear dependency with the population intensity models and the basic model which is adopted for the population intensity determines what covariates influence...... the risk of TBE. Model validation is based on the posterior predictive distribution of various summary statistics....

Imitation learning of Non-Linear Point-to-Point Robot Motions using Dirichlet Processes

DEFF Research Database (Denmark)

Krüger, Volker; Tikhanoff, Vadim; Natale, Lorenzo

2012-01-01

In this paper we discuss the use of the infinite Gaussian mixture model and Dirichlet processes for learning robot movements from demonstrations. Starting point of this work is an earlier paper where the authors learn a non-linear dynamic robot movement model from a small number of observations....... The model in that work is learned using a classical finite Gaussian mixture model (FGMM) where the Gaussian mixtures are appropriately constrained. The problem with this approach is that one needs to make a good guess for how many mixtures the FGMM should use. In this work, we generalize this approach...... our algorithm on the same data that was used in [5], where the authors use motion capture devices to record the demonstrations. As further validation we test our approach on novel data acquired on our iCub in a different demonstration scenario in which the robot is physically driven by the human...

Prospects for direct neutron capture measurements on s-process branching point isotopes

Energy Technology Data Exchange (ETDEWEB)

Guerrero, C.; Lerendegui-Marco, J.; Quesada, J.M. [Universidad de Sevilla, Dept. de Fisica Atomica, Molecular y Nuclear, Sevilla (Spain); Domingo-Pardo, C. [CSIC-Universidad de Valencia, Instituto de Fisica Corpuscular, Valencia (Spain); Kaeppeler, F. [Karlsruhe Institute of Technology, Institut fuer Kernphysik, Karlsruhe (Germany); Palomo, F.R. [Universidad de Sevilla, Dept. de Ingenieria Electronica, Sevilla (Spain); Reifarth, R. [Goethe-Universitaet Frankfurt am Main, Frankfurt am Main (Germany)

2017-05-15

The neutron capture cross sections of several unstable key isotopes acting as branching points in the s-process are crucial for stellar nucleosynthesis studies, but they are very challenging to measure directly due to the difficult production of sufficient sample material, the high activity of the resulting samples, and the actual (n, γ) measurement, where high neutron fluxes and effective background rejection capabilities are required. At present there are about 21 relevant s-process branching point isotopes whose cross section could not be measured yet over the neutron energy range of interest for astrophysics. However, the situation is changing with some very recent developments and upcoming technologies. This work introduces three techniques that will change the current paradigm in the field: the use of γ-ray imaging techniques in (n, γ) experiments, the production of moderated neutron beams using high-power lasers, and double capture experiments in Maxwellian neutron beams. (orig.)

Determination of the impact of RGB points cloud attribute quality on color-based segmentation process

Directory of Open Access Journals (Sweden)

Bartłomiej Kraszewski

2015-06-01

Full Text Available The article presents the results of research on the effect that radiometric quality of point cloud RGB attributes have on color-based segmentation. In the research, a point cloud with a resolution of 5 mm, received from FAROARO Photon 120 scanner, described the fragment of an office’s room and color images were taken by various digital cameras. The images were acquired by SLR Nikon D3X, and SLR Canon D200 integrated with the laser scanner, compact camera Panasonic TZ-30 and a mobile phone digital camera. Color information from images was spatially related to point cloud in FAROARO Scene software. The color-based segmentation of testing data was performed with the use of a developed application named “RGB Segmentation”. The application was based on public Point Cloud Libraries (PCL and allowed to extract subsets of points fulfilling the criteria of segmentation from the source point cloud using region growing method.Using the developed application, the segmentation of four tested point clouds containing different RGB attributes from various images was performed. Evaluation of segmentation process was performed based on comparison of segments acquired using the developed application and extracted manually by an operator. The following items were compared: the number of obtained segments, the number of correctly identified objects and the correctness of segmentation process. The best correctness of segmentation and most identified objects were obtained using the data with RGB attribute from Nikon D3X images. Based on the results it was found that quality of RGB attributes of point cloud had impact only on the number of identified objects. In case of correctness of the segmentation, as well as its error no apparent relationship between the quality of color information and the result of the process was found.[b]Keywords[/b]: terrestrial laser scanning, color-based segmentation, RGB attribute, region growing method, digital images, points cloud

A Gibbs Energy Minimization Approach for Modeling of Chemical Reactions in a Basic Oxygen Furnace

Science.gov (United States)

Kruskopf, Ari; Visuri, Ville-Valtteri

2017-12-01

In modern steelmaking, the decarburization of hot metal is converted into steel primarily in converter processes, such as the basic oxygen furnace. The objective of this work was to develop a new mathematical model for top blown steel converter, which accounts for the complex reaction equilibria in the impact zone, also known as the hot spot, as well as the associated mass and heat transport. An in-house computer code of the model has been developed in Matlab. The main assumption of the model is that all reactions take place in a specified reaction zone. The mass transfer between the reaction volume, bulk slag, and metal determine the reaction rates for the species. The thermodynamic equilibrium is calculated using the partitioning of Gibbs energy (PGE) method. The activity model for the liquid metal is the unified interaction parameter model and for the liquid slag the modified quasichemical model (MQM). The MQM was validated by calculating iso-activity lines for the liquid slag components. The PGE method together with the MQM was validated by calculating liquidus lines for solid components. The results were compared with measurements from literature. The full chemical reaction model was validated by comparing the metal and slag compositions to measurements from industrial scale converter. The predictions were found to be in good agreement with the measured values. Furthermore, the accuracy of the model was found to compare favorably with the models proposed in the literature. The real-time capability of the proposed model was confirmed in test calculations.

Two step estimation for Neyman-Scott point process with inhomogeneous cluster centers

Czech Academy of Sciences Publication Activity Database

Mrkvička, T.; Muška, Milan; Kubečka, Jan

2014-01-01

Roč. 24, č. 1 (2014), s. 91-100 ISSN 0960-3174 R&D Projects: GA ČR(CZ) GA206/07/1392 Institutional support: RVO:60077344 Keywords : bayesian method * clustering * inhomogeneous point process Subject RIV: EH - Ecology, Behaviour Impact factor: 1.623, year: 2014

Corner-point criterion for assessing nonlinear image processing imagers

Science.gov (United States)

Landeau, Stéphane; Pigois, Laurent; Foing, Jean-Paul; Deshors, Gilles; Swiathy, Greggory

2017-10-01

Range performance modeling of optronics imagers attempts to characterize the ability to resolve details in the image. Today, digital image processing is systematically used in conjunction with the optoelectronic system to correct its defects or to exploit tiny detection signals to increase performance. In order to characterize these processing having adaptive and non-linear properties, it becomes necessary to stimulate the imagers with test patterns whose properties are similar to the actual scene image ones, in terms of dynamic range, contours, texture and singular points. This paper presents an approach based on a Corner-Point (CP) resolution criterion, derived from the Probability of Correct Resolution (PCR) of binary fractal patterns. The fundamental principle lies in the respectful perception of the CP direction of one pixel minority value among the majority value of a 2×2 pixels block. The evaluation procedure considers the actual image as its multi-resolution CP transformation, taking the role of Ground Truth (GT). After a spatial registration between the degraded image and the original one, the degradation is statistically measured by comparing the GT with the degraded image CP transformation, in terms of localized PCR at the region of interest. The paper defines this CP criterion and presents the developed evaluation techniques, such as the measurement of the number of CP resolved on the target, the transformation CP and its inverse transform that make it possible to reconstruct an image of the perceived CPs. Then, this criterion is compared with the standard Johnson criterion, in the case of a linear blur and noise degradation. The evaluation of an imaging system integrating an image display and a visual perception is considered, by proposing an analysis scheme combining two methods: a CP measurement for the highly non-linear part (imaging) with real signature test target and conventional methods for the more linear part (displaying). The application to

Empirical Statistical Power for Testing Multilocus Genotypic Effects under Unbalanced Designs Using a Gibbs Sampler

Directory of Open Access Journals (Sweden)

Chaeyoung Lee

2012-11-01

Full Text Available Epistasis that may explain a large portion of the phenotypic variation for complex economic traits of animals has been ignored in many genetic association studies. A Baysian method was introduced to draw inferences about multilocus genotypic effects based on their marginal posterior distributions by a Gibbs sampler. A simulation study was conducted to provide statistical powers under various unbalanced designs by using this method. Data were simulated by combined designs of number of loci, within genotype variance, and sample size in unbalanced designs with or without null combined genotype cells. Mean empirical statistical power was estimated for testing posterior mean estimate of combined genotype effect. A practical example for obtaining empirical statistical power estimates with a given sample size was provided under unbalanced designs. The empirical statistical powers would be useful for determining an optimal design when interactive associations of multiple loci with complex phenotypes were examined.

Paleocurrents in the Charlie-Gibbs Fracture Zone during the Late Quaternary

Science.gov (United States)

Bashirova, L. D.; Dorokhova, E.; Sivkov, V.; Andersen, N.; Kuleshova, L. A.; Matul, A.

2017-12-01

The sedimentary processes prevailing in the Charlie-Gibbs Fracture Zone (CGFZ) are gravity flows. They rework pelagic sediments and contourites, and hereby mask the paleoceanographic information partly. The aim of this work is to study sediments of the AMK-4515 core taken in eastern part of the CGFZ. The sediment core AMK-4515 (52°03.14" N, 29°00.12" W; 370 cm length, water depth 3590 m) is located in the southern valley of the CGFZ. This natural deep corridor is influenced by both the westward Iceland-Scotland Overflow Water and underlying counterflow from the Newfoundland Basin. An alternation of the calcareous silty clays and hemipelagic clayey muds in the studied section indicates similarity between our core and long cores taking from CGFZ. A sharp facies shift was found at 80 cm depth in the investigated core. Only the upper section (0-80 cm) is valid for paleoreconstruction. Planktonic foraminiferal distribution and sea-surface temperature (SST) derived from these allow for tracing the PF and NAC latitudinal migrations during investigated period. So-called sortable silt mean size (SS) was used as proxy for reconstruction of bottom current intensity. The age model is based on δ18O and AMS 14C dating, as well as ice-rafted debris (IRD) counts and CaCO3 content. Stratigraphic subdivision of this section allows to allocate 2 marine isotope stages (MIS) covering the last 27 ka. We refer sediments below this level (80-370 cm) to upper part of turbidite, which was formed as a result of massive slide in the southern channel of the CGFZ. Sandy particles were deposited first, underlying silts and clays. This short-term event occurred so quickly that pelagic sedimentation played no role and was not reflected in the grain size distributions. There is evidence for the significant role of gravity flows in sedimentation in the southern channel of the CGFZ. According to our data, the massive sediment slide occurred in the CGFZ about 27 ka. The authors are grateful to RSF

The application of prototype point processes for the summary and description of California wildfires

Science.gov (United States)

Nichols, K.; Schoenberg, F.P.; Keeley, J.E.; Bray, A.; Diez, D.

2011-01-01

A method for summarizing repeated realizations of a space-time marked point process, known as prototyping, is discussed and applied to catalogues of wildfires in California. Prototype summaries are constructed for varying time intervals using California wildfire data from 1990 to 2006. Previous work on prototypes for temporal and space-time point processes is extended here to include methods for computing prototypes with marks and the incorporation of prototype summaries into hierarchical clustering algorithms, the latter of which is used to delineate fire seasons in California. Other results include summaries of patterns in the spatial-temporal distribution of wildfires within each wildfire season. ?? 2011 Blackwell Publishing Ltd.

EFFICIENT LIDAR POINT CLOUD DATA MANAGING AND PROCESSING IN A HADOOP-BASED DISTRIBUTED FRAMEWORK

Directory of Open Access Journals (Sweden)

C. Wang

2017-10-01

Full Text Available Light Detection and Ranging (LiDAR is one of the most promising technologies in surveying and mapping，city management, forestry, object recognition, computer vision engineer and others. However, it is challenging to efficiently storage, query and analyze the high-resolution 3D LiDAR data due to its volume and complexity. In order to improve the productivity of Lidar data processing, this study proposes a Hadoop-based framework to efficiently manage and process LiDAR data in a distributed and parallel manner, which takes advantage of Hadoop’s storage and computing ability. At the same time, the Point Cloud Library (PCL, an open-source project for 2D/3D image and point cloud processing, is integrated with HDFS and MapReduce to conduct the Lidar data analysis algorithms provided by PCL in a parallel fashion. The experiment results show that the proposed framework can efficiently manage and process big LiDAR data.

Efficient LIDAR Point Cloud Data Managing and Processing in a Hadoop-Based Distributed Framework

Science.gov (United States)

Wang, C.; Hu, F.; Sha, D.; Han, X.

2017-10-01

Light Detection and Ranging (LiDAR) is one of the most promising technologies in surveying and mapping city management, forestry, object recognition, computer vision engineer and others. However, it is challenging to efficiently storage, query and analyze the high-resolution 3D LiDAR data due to its volume and complexity. In order to improve the productivity of Lidar data processing, this study proposes a Hadoop-based framework to efficiently manage and process LiDAR data in a distributed and parallel manner, which takes advantage of Hadoop's storage and computing ability. At the same time, the Point Cloud Library (PCL), an open-source project for 2D/3D image and point cloud processing, is integrated with HDFS and MapReduce to conduct the Lidar data analysis algorithms provided by PCL in a parallel fashion. The experiment results show that the proposed framework can efficiently manage and process big LiDAR data.

Shift of the eutectoid point in the Fe-C binary system by a high magnetic field

International Nuclear Information System (INIS)

Zhang, Y D; Esling, C; Calcagnotto, M; Gong, M L; Zhao, X; Zuo, L

2007-01-01

The purpose of this paper is to investigate experimentally the shift of the eutectoid point in the Fe-C binary system when applying a high magnetic field. The eutectoid carbon content is observed to shift from 0.77 wt% to 0.83 wt% under a 12 T magnetic field. A practical and complete calculation method is proposed-on the basis of the statistical thermodynamic model-to calculate the Gibbs free energy of the related phases and predict the shift of the eutectoid point due to a magnetic field in both composition and temperature coordinates. The composition values are seen to be in fair agreement with the experimental data. The calculation of both shifts shows that the rise in eutectoid temperature because of the 12 T field is 28.97 deg. C. The impact of the magnetic field on both eutectoid carbon content and eutectoid temperature is not linear. The rate of the shift of both carbon content and temperature decreases as the magnetic field rises

Instantaneous nonlinear assessment of complex cardiovascular dynamics by Laguerre-Volterra point process models.

Science.gov (United States)

Valenza, Gaetano; Citi, Luca; Barbieri, Riccardo

2013-01-01

We report an exemplary study of instantaneous assessment of cardiovascular dynamics performed using point-process nonlinear models based on Laguerre expansion of the linear and nonlinear Wiener-Volterra kernels. As quantifiers, instantaneous measures such as high order spectral features and Lyapunov exponents can be estimated from a quadratic and cubic autoregressive formulation of the model first order moment, respectively. Here, these measures are evaluated on heartbeat series coming from 16 healthy subjects and 14 patients with Congestive Hearth Failure (CHF). Data were gathered from the on-line repository PhysioBank, which has been taken as landmark for testing nonlinear indices. Results show that the proposed nonlinear Laguerre-Volterra point-process methods are able to track the nonlinear and complex cardiovascular dynamics, distinguishing significantly between CHF and healthy heartbeat series.

Students’ Algebraic Thinking Process in Context of Point and Line Properties

Science.gov (United States)

Nurrahmi, H.; Suryadi, D.; Fatimah, S.

2017-09-01

Learning of schools algebra is limited to symbols and operating procedures, so students are able to work on problems that only require the ability to operate symbols but unable to generalize a pattern as one of part of algebraic thinking. The purpose of this study is to create a didactic design that facilitates students to do algebraic thinking process through the generalization of patterns, especially in the context of the property of point and line. This study used qualitative method and includes Didactical Design Research (DDR). The result is students are able to make factual, contextual, and symbolic generalization. This happen because the generalization arises based on facts on local terms, then the generalization produced an algebraic formula that was described in the context and perspective of each student. After that, the formula uses the algebraic letter symbol from the symbol t hat uses the students’ language. It can be concluded that the design has facilitated students to do algebraic thinking process through the generalization of patterns, especially in the context of property of the point and line. The impact of this study is this design can use as one of material teaching alternative in learning of school algebra.

Hygienic-sanitary working practices and implementation of a Hazard Analysis and Critical Control Point (HACCP plan in lobster processing industries

Directory of Open Access Journals (Sweden)

Cristina Farias da Fonseca

2013-03-01

Full Text Available This study aimed to verify the hygienic-sanitary working practices and to create and implement a Hazard Analysis Critical Control Point (HACCP in two lobster processing industries in Pernambuco State, Brazil. The industries studied process frozen whole lobsters, frozen whole cooked lobsters, and frozen lobster tails for exportation. The application of the hygienic-sanitary checklist in the industries analyzed achieved conformity rates over 96% to the aspects evaluated. The use of the Hazard Analysis Critical Control Point (HACCP plan resulted in the detection of two critical control points (CCPs including the receiving and classification steps in the processing of frozen lobster and frozen lobster tails, and an additional critical control point (CCP was detected during the cooking step of processing of the whole frozen cooked lobster. The proper implementation of the Hazard Analysis Critical Control Point (HACCP plan in the lobster processing industries studied proved to be the safest and most cost-effective method to monitor each critical control point (CCP hazards.

Steam generators secondary side chemical cleaning at Point Lepreau using the Siemen's high temperature process

International Nuclear Information System (INIS)

Verma, K.; MacNeil, C.; Odar, S.

1996-01-01

The secondary sides of all four steam generators at the Point Lepreau Nuclear Generating Stations were cleaned during the 1995 annual outage run-down using the Siemens high temperature chemical cleaning process. Traditionally all secondary side chemical cleaning exercises in CANDU as well as the other nuclear power stations in North America have been conducted using a process developed in conjunction with the Electric Power Research Institute (EPRI). The Siemens high temperature process was applied for the first time in North America at the Point Lepreau Nuclear Generating Station (PLGS). The paper discusses experiences related to the pre and post award chemical cleaning activities, chemical cleaning application, post cleaning inspection results and waste handling activities. (author)

[Continuum based fast Fourier transform processing of infrared spectrum].

Science.gov (United States)

Liu, Qing-Jie; Lin, Qi-Zhong; Wang, Qin-Jun; Li, Hui; Li, Shuai

2009-12-01

To recognize ground objects with infrared spectrum, high frequency noise removing is one of the most important phases in spectrum feature analysis and extraction. A new method for infrared spectrum preprocessing was given combining spectrum continuum processing and Fast Fourier Transform (CFFT). Continuum was firstly removed from the noise polluted infrared spectrum to standardize hyper-spectra. Then the spectrum was transformed into frequency domain (FD) with fast Fourier transform (FFT), separating noise information from target information After noise eliminating from useful information with a low-pass filter, the filtered FD spectrum was transformed into time domain (TD) with fast Fourier inverse transform. Finally the continuum was recovered to the spectrum, and the filtered infrared spectrum was achieved. Experiment was performed for chlorite spectrum in USGS polluted with two kinds of simulated white noise to validate the filtering ability of CFFT by contrast with cubic function of five point (CFFP) in time domain and traditional FFT in frequency domain. A circle of CFFP has limited filtering effect, so it should work much with more circles and consume more time to achieve better filtering result. As for conventional FFT, Gibbs phenomenon has great effect on preprocessing result at edge bands because of special character of rock or mineral spectra, while works well at middle bands. Mean squared error of CFFT is 0. 000 012 336 with cut-off frequency of 150, while that of FFT and CFFP is 0. 000 061 074 with cut-off frequency of 150 and 0.000 022 963 with 150 working circles respectively. Besides the filtering result of CFFT can be improved by adjusting the filter cut-off frequency, and has little effect on working time. The CFFT method overcomes the Gibbs problem of FFT in spectrum filtering, and can be more convenient, dependable, and effective than traditional TD filter methods.

Electron-density critical points analysis and catastrophe theory to forecast structure instability in periodic solids.

Science.gov (United States)

Merli, Marcello; Pavese, Alessandro

2018-03-01

The critical points analysis of electron density, i.e. ρ(x), from ab initio calculations is used in combination with the catastrophe theory to show a correlation between ρ(x) topology and the appearance of instability that may lead to transformations of crystal structures, as a function of pressure/temperature. In particular, this study focuses on the evolution of coalescing non-degenerate critical points, i.e. such that ∇ρ(x c ) = 0 and λ 1 , λ 2 , λ 3 ≠ 0 [λ being the eigenvalues of the Hessian of ρ(x) at x c ], towards degenerate critical points, i.e. ∇ρ(x c ) = 0 and at least one λ equal to zero. The catastrophe theory formalism provides a mathematical tool to model ρ(x) in the neighbourhood of x c and allows one to rationalize the occurrence of instability in terms of electron-density topology and Gibbs energy. The phase/state transitions that TiO 2 (rutile structure), MgO (periclase structure) and Al 2 O 3 (corundum structure) undergo because of pressure and/or temperature are here discussed. An agreement of 3-5% is observed between the theoretical model and experimental pressure/temperature of transformation.

Nuclear binding around the RP-process waiting points $^{68}$Se and $^{72}$Kr

CERN Multimedia

2002-01-01

Encouraged by the success of mass determinations of nuclei close to the Z=N line performed at ISOLTRAP during the year 2000 and of the recent decay spectroscopy studies on neutron-deficient Kr isotopes (IS351 collaboration), we aim to measure masses and proton separation energies of the bottleneck nuclei defining the flow of the astrophysical rp-process beyond A$\\sim$70. In detail, the program includes mass measurements of the rp-process waiting point nuclei $^{68}$Se and $^{72}$Kr and determination of proton separation energies of the proton-unbound $^{69}$Br and $^{73}$Rb via $\\beta$-decays of $^{69}$Kr and $^{73}$Sr, respectively. The aim of the project is to complete the experimental database for astrophysical network calculations and for the liquid-drop type of mass models typically used in the modelling of the astrophysical rp process in the region. The first beamtime is scheduled for the August 2001 and the aim is to measure the absolute mass of the waiting-point nucleus $^{72}$Kr.

ON THE ESTIMATION OF DISTANCE DISTRIBUTION FUNCTIONS FOR POINT PROCESSES AND RANDOM SETS

Directory of Open Access Journals (Sweden)

Dietrich Stoyan

2011-05-01

Full Text Available This paper discusses various estimators for the nearest neighbour distance distribution function D of a stationary point process and for the quadratic contact distribution function Hq of a stationary random closed set. It recommends the use of Hanisch's estimator of D, which is of Horvitz-Thompson type, and the minussampling estimator of Hq. This recommendation is based on simulations for Poisson processes and Boolean models.

Benchmarking of radiological departments. Starting point for successful process optimization

International Nuclear Information System (INIS)

Busch, Hans-Peter

2010-01-01

Continuous optimization of the process of organization and medical treatment is part of the successful management of radiological departments. The focus of this optimization can be cost units such as CT and MRI or the radiological parts of total patient treatment. Key performance indicators for process optimization are cost- effectiveness, service quality and quality of medical treatment. The potential for improvements can be seen by comparison (benchmark) with other hospitals and radiological departments. Clear definitions of key data and criteria are absolutely necessary for comparability. There is currently little information in the literature regarding the methodology and application of benchmarks especially from the perspective of radiological departments and case-based lump sums, even though benchmarking has frequently been applied to radiological departments by hospital management. The aim of this article is to describe and discuss systematic benchmarking as an effective starting point for successful process optimization. This includes the description of the methodology, recommendation of key parameters and discussion of the potential for cost-effectiveness analysis. The main focus of this article is cost-effectiveness (efficiency and effectiveness) with respect to cost units and treatment processes. (orig.)

A random point process model for the score in sport matches

Czech Academy of Sciences Publication Activity Database

Volf, Petr

2009-01-01

Roč. 20, č. 2 (2009), s. 121-131 ISSN 1471-678X R&D Projects: GA AV ČR(CZ) IAA101120604 Institutional research plan: CEZ:AV0Z10750506 Keywords : sport statistics * scoring intensity * Cox’s regression model Subject RIV: BB - Applied Statistics, Operational Research http://library.utia.cas.cz/separaty/2009/SI/volf-a random point process model for the score in sport matches.pdf

Probabilistic safety assessment and optimal control of hazardous technological systems. A marked point process approach

International Nuclear Information System (INIS)

Holmberg, J.

1997-04-01

The thesis models risk management as an optimal control problem for a stochastic process. The approach classes the decisions made by management into three categories according to the control methods of a point process: (1) planned process lifetime, (2) modification of the design, and (3) operational decisions. The approach is used for optimization of plant shutdown criteria and surveillance test strategies of a hypothetical nuclear power plant

Point-point and point-line moving-window correlation spectroscopy and its applications

Science.gov (United States)

Zhou, Qun; Sun, Suqin; Zhan, Daqi; Yu, Zhiwu

2008-07-01

In this paper, we present a new extension of generalized two-dimensional (2D) correlation spectroscopy. Two new algorithms, namely point-point (P-P) correlation and point-line (P-L) correlation, have been introduced to do the moving-window 2D correlation (MW2D) analysis. The new method has been applied to a spectral model consisting of two different processes. The results indicate that P-P correlation spectroscopy can unveil the details and re-constitute the entire process, whilst the P-L can provide general feature of the concerned processes. Phase transition behavior of dimyristoylphosphotidylethanolamine (DMPE) has been studied using MW2D correlation spectroscopy. The newly proposed method verifies that the phase transition temperature is 56 °C, same as the result got from a differential scanning calorimeter. To illustrate the new method further, a lysine and lactose mixture has been studied under thermo perturbation. Using the P-P MW2D, the Maillard reaction of the mixture was clearly monitored, which has been very difficult using conventional display of FTIR spectra.

Development of Bi-phase sodium-oxygen-hydrogen chemical equilibrium calculation program (BISHOP) using Gibbs free energy minimization method

International Nuclear Information System (INIS)

Okano, Yasushi

1999-08-01

In order to analyze the reaction heat and compounds due to sodium combustion, the multiphase chemical equilibrium calculation program for chemical reaction among sodium, oxygen and hydrogen is developed in this study. The developed numerical program is named BISHOP; which denotes Bi-Phase, Sodium - Oxygen - Hydrogen, Chemical Equilibrium Calculation Program'. Gibbs free energy minimization method is used because of the special merits that easily add and change chemical species, and generally deal many thermochemical reaction systems in addition to constant temperature and pressure one. Three new methods are developed for solving multi-phase sodium reaction system in this study. One is to construct equation system by simplifying phase, and the other is to expand the Gibbs free energy minimization method into multi-phase system, and the last is to establish the effective searching method for the minimum value. Chemical compounds by the combustion of sodium in the air are calculated using BISHOP. The Calculated temperature and moisture conditions where sodium-oxide and hydroxide are formed qualitatively agree with the experiments. Deformation of sodium hydride is calculated by the program. The estimated result of the relationship between the deformation temperature and pressure closely agree with the well known experimental equation of Roy and Rodgers. It is concluded that BISHOP can be used for evaluated the combustion and deformation behaviors of sodium and its compounds. Hydrogen formation condition of the dump-tank room at the sodium leak event of FBR is quantitatively evaluated by BISHOP. It can be concluded that to keep the temperature of dump-tank room lower is effective method to suppress the formation of hydrogen. In case of choosing the lower inflammability limit of 4.1 mol% as the hydrogen concentration criterion, formation reaction of sodium hydride from sodium and hydrogen is facilitated below the room temperature of 800 K, and concentration of hydrogen

Thermodynamic Stability of Ice II and Its Hydrogen-Disordered Counterpart: Role of Zero-Point Energy.

Science.gov (United States)

Nakamura, Tatsuya; Matsumoto, Masakazu; Yagasaki, Takuma; Tanaka, Hideki

2016-03-03

We investigate why no hydrogen-disordered form of ice II has been found in nature despite the fact that most of hydrogen-ordered ices have hydrogen-disordered counterparts. The thermodynamic stability of a set of hydrogen-ordered ice II variants relative to ice II is evaluated theoretically. It is found that ice II is more stable than the disordered variants so generated as to satisfy the simple ice rule due to the lower zero-point energy as well as the pair interaction energy. The residual entropy of the disordered ice II phase gradually compensates the unfavorable free energy with increasing temperature. The crossover, however, occurs at a high temperature well above the melting point of ice III. Consequently, the hydrogen-disordered phase does not exist in nature. The thermodynamic stability of partially hydrogen-disordered ices is also scrutinized by examining the free-energy components of several variants obtained by systematic inversion of OH directions in ice II. The potential energy of one variant is lower than that of the ice II structure, but its Gibbs free energy is slightly higher than that of ice II due to the zero-point energy. The slight difference in the thermodynamic stability leaves the possibility of the partial hydrogen-disorder in real ice II.

A Gibbs potential expansion with a quantic system made up of a large number of particles

International Nuclear Information System (INIS)

Bloch, Claude; Dominicis, Cyrano de

1959-01-01

Starting from an expansion derived in a previous work, we study the contribution to the Gibbs potential of the two-body dynamical correlations, taking into account the statistical correlations. Such a contribution is of interest for low density systems at low temperature. In the zero density limit, it reduces to the Beth Uhlenbeck expression of the second virial coefficient. For a system of fermions in the zero temperature limit, it yields the contribution of the Brueckner reaction matrix to the ground state energy, plus, under certain conditions, additional terms of the form exp. (β |Δ|), where the Δ are the binding energies of 'bound states' of the type first discussed by L. Cooper. Finally, we study the wave function of two particles immersed in a medium (defined by its temperature and chemical potential). lt satisfies an equation generalizing the Bethe Goldstone equation for an arbitrary temperature. Reprint of a paper published in 'Nuclear Physics' 10, 1959, p. 181-196 [fr

A CASE STUDY ON POINT PROCESS MODELLING IN DISEASE MAPPING

Directory of Open Access Journals (Sweden)

Viktor Beneš

2011-05-01

Full Text Available We consider a data set of locations where people in Central Bohemia have been infected by tick-borne encephalitis (TBE, and where population census data and covariates concerning vegetation and altitude are available. The aims are to estimate the risk map of the disease and to study the dependence of the risk on the covariates. Instead of using the common area level approaches we base the analysis on a Bayesian approach for a log Gaussian Cox point process with covariates. Posterior characteristics for a discretized version of the log Gaussian Cox process are computed using Markov chain Monte Carlo methods. A particular problem which is thoroughly discussed is to determine a model for the background population density. The risk map shows a clear dependency with the population intensity models and the basic model which is adopted for the population intensity determines what covariates influence the risk of TBE. Model validation is based on the posterior predictive distribution of various summary statistics.

A business process model as a starting point for tight cooperation among organizations

Directory of Open Access Journals (Sweden)

O. Mysliveček

2006-01-01

Full Text Available Outsourcing and other kinds of tight cooperation among organizations are more and more necessary for success on all markets (markets of high technology products are particularly influenced. Thus it is important for companies to be able to effectively set up all kinds of cooperation. A business process model (BPM is a suitable starting point for this future cooperation. In this paper the process of setting up such cooperation is outlined, as well as why it is important for business success. 

Estimação de parâmetros genéticos em suínos usando Amostrador de Gibbs Estimation of genetic parameters for growth and backfat thickness of Large White pigs using the Gibbs Sampler

Directory of Open Access Journals (Sweden)

Leandro Barbosa

2008-07-01

Full Text Available Um total de 38.865 registros de animais da raça Large White foi usado para estimar componentes de co-variância e parâmetros genéticos das características idade ao atingir 100 kg de peso vivo (IDA e espessura de toucinho ajustada para 100 kg de peso vivo (ET, em análises bicaracterísticas. Para obtenção dos componentes de co-variância, foi utilizado o Amostrador de Gibbs por meio do programa MTGSAM. O modelo misto utilizado continha efeito fixo de grupo contemporâneo e os seguintes efeitos aleatórios: efeito genético aditivo direto, efeito genético aditivo materno, efeito comum de leitegada e efeito residual. As médias das estimativas de herdabilidade aditivas diretas foram 0,33 e 0,44 para IDA e ET, respectivamente. As médias das estimativas do efeito comum de leitegada foram 0,09 e 0,02 para IDA e ET, respectivamente. A estimativa de correlação genética aditiva entre as características foi próxima de zero (-0,015. As herdabilidades obtidas para as características de desempenho avaliadas indicam que ganhos genéticos satisfatórios podem ser obtidos no melhoramento de suínos da raça Large White para essas características e que a seleção simultânea para ambas as características pode ser realizada, uma vez que é baixa a correlação genética aditiva direta.Data consisting of 38,865 records of Large White pigs were used to estimate genetic parameters for days to 100 kg (DAYS and backfat thickness adjusted to 100 kg (BF. Covariance components were estimated by a bivariate mixed model including the fixed effect of contemporary group and the direct and maternal additive genetic, common litter and residual random effects using the Gibbs Sampling algorithm of the MTGSAM program. Estimates of direct and common litter effects for DAYS and BF were 0.33 and 0.44 and 0.09 and 0.02, respectively. Additive genetic correlation between DAYS and BF was close to zero (-0.015. The heritability estimates indicate that genetic gains may

Topobathymetric LiDAR point cloud processing and landform classification in a tidal environment

Science.gov (United States)

Skovgaard Andersen, Mikkel; Al-Hamdani, Zyad; Steinbacher, Frank; Rolighed Larsen, Laurids; Brandbyge Ernstsen, Verner

2017-04-01

Historically it has been difficult to create high resolution Digital Elevation Models (DEMs) in land-water transition zones due to shallow water depth and often challenging environmental conditions. This gap of information has been reflected as a "white ribbon" with no data in the land-water transition zone. In recent years, the technology of airborne topobathymetric Light Detection and Ranging (LiDAR) has proven capable of filling out the gap by simultaneously capturing topographic and bathymetric elevation information, using only a single green laser. We collected green LiDAR point cloud data in the Knudedyb tidal inlet system in the Danish Wadden Sea in spring 2014. Creating a DEM from a point cloud requires the general processing steps of data filtering, water surface detection and refraction correction. However, there is no transparent and reproducible method for processing green LiDAR data into a DEM, specifically regarding the procedure of water surface detection and modelling. We developed a step-by-step procedure for creating a DEM from raw green LiDAR point cloud data, including a procedure for making a Digital Water Surface Model (DWSM) (see Andersen et al., 2017). Two different classification analyses were applied to the high resolution DEM: A geomorphometric and a morphological classification, respectively. The classification methods were originally developed for a small test area; but in this work, we have used the classification methods to classify the complete Knudedyb tidal inlet system. References Andersen MS, Gergely Á, Al-Hamdani Z, Steinbacher F, Larsen LR, Ernstsen VB (2017). Processing and performance of topobathymetric lidar data for geomorphometric and morphological classification in a high-energy tidal environment. Hydrol. Earth Syst. Sci., 21: 43-63, doi:10.5194/hess-21-43-2017. Acknowledgements This work was funded by the Danish Council for Independent Research | Natural Sciences through the project "Process-based understanding and

Gibbs-Thomson Law for Singular Step Segments: Thermodynamics Versus Kinetics

Science.gov (United States)

Chernov, A. A.

2003-01-01

Classical Burton-Cabrera-Frank theory presumes that thermal fluctuations are so fast that at any time density of kinks on a step is comparable with the reciprocal intermolecular distance, so that the step rate is about isotropic within the crystal plane. Such azimuthal isotropy is, however, often not the case: Kink density may be much lower. In particular, it was recently found on the (010) face of orthorhombic lysozyme that interkink distance may exceed 500-600 intermolecular distances. Under such conditions, Gibbs-Thomson law (GTL) may not be applicable: On a straight step segment between two corners, communication between the comers occurs exclusively by kink exchange. Annihilation between kinks of opposite sign generated at the comers results in the grain in step energy entering GTL. If the step segment length l much greater than D/v, where D and v are the kink diffusivity and propagation rate, respectively, the opposite kinks have practically no chance to annihilate and GTL is not applicable. The opposite condition of the GTL applicability, l much less than D/v, is equivalent to the requirement that relative supersaturation Delta(sub mu)/kT much less than alpha/l, where alpha is molecular size. Thus, GTL may be applied to a segment of 10(exp 3)alpha approx. 3 x 10(exp -5)cm approx 0.3 micron only if supersaturation is less than 0.1%, while practically used driving forces for crystallization are much larger. Relationships alternative to the GTL for different, but low, kink density have been discussed. They confirm experimental evidences that the Burton-Cabrera-Frank theory of spiral growth is growth rates twice as low as compared to the observed figures. Also, application of GTL results in unrealistic step energy while suggested kinetic law give reasonable figures.

SUBLIMATION-DRIVEN ACTIVITY IN MAIN-BELT COMET 313P/GIBBS

Energy Technology Data Exchange (ETDEWEB)

Hsieh, Henry H. [Institute of Astronomy and Astrophysics, Academia Sinica, P.O. Box 23-141, Taipei 10617, Taiwan (China); Hainaut, Olivier [European Southern Observatory, Karl-Schwarzschild-Straße 2, D-85748 Garching bei München (Germany); Novaković, Bojan [Department of Astronomy, Faculty of Mathematics, University of Belgrade, Studentski trg 16, 11000 Belgrade (Serbia); Bolin, Bryce [Observatoire de la Côte d’Azur, Boulevard de l’Observatoire, B.P. 4229, F-06304 Nice Cedex 4 (France); Denneau, Larry; Haghighipour, Nader; Kleyna, Jan; Meech, Karen J.; Schunova, Eva; Wainscoat, Richard J. [Institute for Astronomy, University of Hawaii, 2680 Woodlawn Drive, Honolulu, HI 96822 (United States); Fitzsimmons, Alan [Astrophysics Research Centre, Queens University Belfast, Belfast BT7 1NN (United Kingdom); Kokotanekova, Rosita; Snodgrass, Colin [Planetary and Space Sciences, Department of Physical Sciences, The Open University, Milton Keynes MK7 6AA (United Kingdom); Lacerda, Pedro [Max Planck Institute for Solar System Research, Justus-von-Liebig-Weg 3, D-37077 Göttingen (Germany); Micheli, Marco [ESA SSA NEO Coordination Centre, Frascati, RM (Italy); Moskovitz, Nick; Wasserman, Lawrence [Lowell Observatory, 1400 W. Mars Hill Road, Flagstaff, AZ 86001 (United States); Waszczak, Adam, E-mail: hhsieh@asiaa.sinica.edu.tw [Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena, CA 91125 (United States)

2015-02-10

We present an observational and dynamical study of newly discovered main-belt comet 313P/Gibbs. We find that the object is clearly active both in observations obtained in 2014 and in precovery observations obtained in 2003 by the Sloan Digital Sky Survey, strongly suggesting that its activity is sublimation-driven. This conclusion is supported by a photometric analysis showing an increase in the total brightness of the comet over the 2014 observing period, and dust modeling results showing that the dust emission persists over at least three months during both active periods, where we find start dates for emission no later than 2003 July 24 ± 10 for the 2003 active period and 2014 July 28 ± 10 for the 2014 active period. From serendipitous observations by the Subaru Telescope in 2004 when the object was apparently inactive, we estimate that the nucleus has an absolute R-band magnitude of H{sub R} = 17.1 ± 0.3, corresponding to an effective nucleus radius of r{sub e} ∼ 1.00 ± 0.15 km. The object’s faintness at that time means we cannot rule out the presence of activity, and so this computed radius should be considered an upper limit. We find that 313P’s orbit is intrinsically chaotic, having a Lyapunov time of T{sub l} = 12,000 yr and being located near two three-body mean-motion resonances with Jupiter and Saturn, 11J-1S-5A and 10J+12S-7A, yet appears stable over >50 Myr in an apparent example of stable chaos. We furthermore find that 313P is the second main-belt comet, after P/2012 T1 (PANSTARRS), to belong to the ∼155 Myr old Lixiaohua asteroid family.

Multiple Monte Carlo Testing with Applications in Spatial Point Processes

DEFF Research Database (Denmark)

Mrkvička, Tomáš; Myllymäki, Mari; Hahn, Ute

with a function as the test statistic, 3) several Monte Carlo tests with functions as test statistics. The rank test has correct (global) type I error in each case and it is accompanied with a p-value and with a graphical interpretation which shows which subtest or which distances of the used test function......(s) lead to the rejection at the prescribed significance level of the test. Examples of null hypothesis from point process and random set statistics are used to demonstrate the strength of the rank envelope test. The examples include goodness-of-fit test with several test functions, goodness-of-fit test...

The effect of post-processing treatments on inflection points in current–voltage curves of roll-to-roll processed polymer photovoltaics

DEFF Research Database (Denmark)

Lilliedal, Mathilde Raad; Medford, Andrew James; Vesterager Madsen, Morten

2010-01-01

Inflection point behaviour is often observed in the current–voltage (IV) curve of polymer solar cells. This phenomenon is examined in the context of flexible roll-to-roll (R2R) processed polymer solar cells in a large series of devices with a layer structure of: PET–ITO–ZnO–P3HT...... characterization of device interfaces was carried out in order to identify possible chemical processes that are related to photo-annealing. A possible mechanism based on ZnO photoconductivity, photooxidation and redistribution of oxygen inside the cell is proposed, and it is anticipated that the findings......:PCBM–PEDOT:PSS–Ag. The devices were manufactured using a combination of slot-die coating and screen printing; they were then encapsulated by lamination using a polymer based barrier material. All manufacturing steps were carried out in ambient air. The freshly prepared devices showed a consistent inflection point in the IV...

A principle to correlate extreme values of excess thermody-namic functions with partial molar quantities

Institute of Scientific and Technical Information of China (English)

无

2001-01-01

Excess thermodynamic properties are widely used quantitatively for fluids. It was found that at constant temperature and pressure a molar excess quantity of a mutually miscible binary mixture at the extreme points equals the excess partial molar quantities of the two components, i.e. , forming a triple cross point. The relationship is hold for properties such as enthalpy, entropy, Gibbs free energy, and volume, and is applicable for excess functions with multi extreme points. Solutions at extreme points can be referred to as special mixtures. Particularly for a special mixture of Gibbs free energy, activity coefficients of the two components are identical.

Clusterless Decoding of Position From Multiunit Activity Using A Marked Point Process Filter

Science.gov (United States)

Deng, Xinyi; Liu, Daniel F.; Kay, Kenneth; Frank, Loren M.; Eden, Uri T.

2016-01-01

Point process filters have been applied successfully to decode neural signals and track neural dynamics. Traditionally, these methods assume that multiunit spiking activity has already been correctly spike-sorted. As a result, these methods are not appropriate for situations where sorting cannot be performed with high precision such as real-time decoding for brain-computer interfaces. As the unsupervised spike-sorting problem remains unsolved, we took an alternative approach that takes advantage of recent insights about clusterless decoding. Here we present a new point process decoding algorithm that does not require multiunit signals to be sorted into individual units. We use the theory of marked point processes to construct a function that characterizes the relationship between a covariate of interest (in this case, the location of a rat on a track) and features of the spike waveforms. In our example, we use tetrode recordings, and the marks represent a four-dimensional vector of the maximum amplitudes of the spike waveform on each of the four electrodes. In general, the marks may represent any features of the spike waveform. We then use Bayes’ rule to estimate spatial location from hippocampal neural activity. We validate our approach with a simulation study and with experimental data recorded in the hippocampus of a rat moving through a linear environment. Our decoding algorithm accurately reconstructs the rat’s position from unsorted multiunit spiking activity. We then compare the quality of our decoding algorithm to that of a traditional spike-sorting and decoding algorithm. Our analyses show that the proposed decoding algorithm performs equivalently or better than algorithms based on sorted single-unit activity. These results provide a path toward accurate real-time decoding of spiking patterns that could be used to carry out content-specific manipulations of population activity in hippocampus or elsewhere in the brain. PMID:25973549

Neutron capture at the s-process branching points $^{171}$Tm and $^{204}$Tl

CERN Multimedia

Branching points in the s-process are very special isotopes for which there is a competition between the neutron capture and the subsequent b-decay chain producing the heavy elements beyond Fe. Typically, the knowledge on the associated capture cross sections is very poor due to the difficulty in obtaining enough material of these radioactive isotopes and to measure the cross section of a sample with an intrinsic activity; indeed only 2 out o the 21 ${s}$-process branching points have ever been measured by using the time-of-flight method. In this experiment we aim at measuring for the first time the capture cross sections of $^{171}$Tm and $^{204}$Tl, both of crucial importance for understanding the nucleosynthesis of heavy elements in AGB stars. The combination of both (n,$\\gamma$) measurements on $^{171}$Tm and $^{204}$Tl will allow one to accurately constrain neutron density and the strength of the 13C(α,n) source in low mass AGB stars. Additionally, the cross section of $^{204}$Tl is also of cosmo-chrono...

Probabilistic safety assessment and optimal control of hazardous technological systems. A marked point process approach

Energy Technology Data Exchange (ETDEWEB)

Holmberg, J [VTT Automation, Espoo (Finland)

1997-04-01

The thesis models risk management as an optimal control problem for a stochastic process. The approach classes the decisions made by management into three categories according to the control methods of a point process: (1) planned process lifetime, (2) modification of the design, and (3) operational decisions. The approach is used for optimization of plant shutdown criteria and surveillance test strategies of a hypothetical nuclear power plant. 62 refs. The thesis includes also five previous publications by author.

Monte Carlo point process estimation of electromyographic envelopes from motor cortical spikes for brain-machine interfaces

Science.gov (United States)

Liao, Yuxi; She, Xiwei; Wang, Yiwen; Zhang, Shaomin; Zhang, Qiaosheng; Zheng, Xiaoxiang; Principe, Jose C.

2015-12-01

Objective. Representation of movement in the motor cortex (M1) has been widely studied in brain-machine interfaces (BMIs). The electromyogram (EMG) has greater bandwidth than the conventional kinematic variables (such as position, velocity), and is functionally related to the discharge of cortical neurons. As the stochastic information of EMG is derived from the explicit spike time structure, point process (PP) methods will be a good solution for decoding EMG directly from neural spike trains. Previous studies usually assume linear or exponential tuning curves between neural firing and EMG, which may not be true. Approach. In our analysis, we estimate the tuning curves in a data-driven way and find both the traditional functional-excitatory and functional-inhibitory neurons, which are widely found across a rat’s motor cortex. To accurately decode EMG envelopes from M1 neural spike trains, the Monte Carlo point process (MCPP) method is implemented based on such nonlinear tuning properties. Main results. Better reconstruction of EMG signals is shown on baseline and extreme high peaks, as our method can better preserve the nonlinearity of the neural tuning during decoding. The MCPP improves the prediction accuracy (the normalized mean squared error) 57% and 66% on average compared with the adaptive point process filter using linear and exponential tuning curves respectively, for all 112 data segments across six rats. Compared to a Wiener filter using spike rates with an optimal window size of 50 ms, MCPP decoding EMG from a point process improves the normalized mean square error (NMSE) by 59% on average. Significance. These results suggest that neural tuning is constantly changing during task execution and therefore, the use of spike timing methodologies and estimation of appropriate tuning curves needs to be undertaken for better EMG decoding in motor BMIs.

Weak interaction rates for Kr and Sr waiting-point nuclei under rp-process conditions

International Nuclear Information System (INIS)

Sarriguren, P.

2009-01-01

Weak interaction rates are studied in neutron deficient Kr and Sr waiting-point isotopes in ranges of densities and temperatures relevant for the rp process. The nuclear structure is described within a microscopic model (deformed QRPA) that reproduces not only the half-lives but also the Gamow-Teller strength distributions recently measured. The various sensitivities of the decay rates to both density and temperature are discussed. Continuum electron capture is shown to contribute significantly to the weak rates at rp-process conditions.

Comparative study of solute trapping and Gibbs free energy changes at the phase interface during alloy solidification under local nonequilibrium conditions

Energy Technology Data Exchange (ETDEWEB)

Sobolev, S. L., E-mail: sobolev@icp.ac.ru [Russian Academy of Sciences, Institute of Problems of Chemical Physics (Russian Federation)

2017-03-15

An analytical model has been developed to describe the influence of solute trapping during rapid alloy solidification on the components of the Gibbs free energy change at the phase interface with emphasis on the solute drag energy. For relatively low interface velocity V < V{sub D}, where V{sub D} is the characteristic diffusion velocity, all the components, namely mixing part, local nonequilibrium part, and solute drag, significantly depend on solute diffusion and partitioning. When V ≥ V{sub D}, the local nonequilibrium effects lead to a sharp transition to diffusionless solidification. The transition is accompanied by complete solute trapping and vanishing solute drag energy, i.e. partitionless and “dragless” solidification.

Mixed-Poisson Point Process with Partially-Observed Covariates: Ecological Momentary Assessment of Smoking.

Science.gov (United States)

Neustifter, Benjamin; Rathbun, Stephen L; Shiffman, Saul

2012-01-01

Ecological Momentary Assessment is an emerging method of data collection in behavioral research that may be used to capture the times of repeated behavioral events on electronic devices, and information on subjects' psychological states through the electronic administration of questionnaires at times selected from a probability-based design as well as the event times. A method for fitting a mixed Poisson point process model is proposed for the impact of partially-observed, time-varying covariates on the timing of repeated behavioral events. A random frailty is included in the point-process intensity to describe variation among subjects in baseline rates of event occurrence. Covariate coefficients are estimated using estimating equations constructed by replacing the integrated intensity in the Poisson score equations with a design-unbiased estimator. An estimator is also proposed for the variance of the random frailties. Our estimators are robust in the sense that no model assumptions are made regarding the distribution of the time-varying covariates or the distribution of the random effects. However, subject effects are estimated under gamma frailties using an approximate hierarchical likelihood. The proposed approach is illustrated using smoking data.

A principle to correlate extreme values of excess thermodynamic functions with partial molar quantities

Institute of Scientific and Technical Information of China (English)

尉志武; 刘芸; 周蕊; 薛芳渝

2001-01-01

Excess thermodynamic properties are widely used quantitatively for fluids. It was found that at constant temperature and pressure a molar excess quantity of a mutually miscible binary mixture at the extreme points equals the excess partial molar quantities of the two components, i.e.F1E = F2E = FmE , forming a triple cross point. The relationship is hold for properties such as en-thalpy, entropy, Gibbs free energy, and volume, and is applicable for excess functions with multi extreme points. Solutions at extreme points can be referred to as special mixtures. Particularly fora special mixture of Gibbs free energy, activity coefficients of the two components are identical.

Analysing the distribution of synaptic vesicles using a spatial point process model

DEFF Research Database (Denmark)

Khanmohammadi, Mahdieh; Waagepetersen, Rasmus; Nava, Nicoletta

2014-01-01

functionality by statistically modelling the distribution of the synaptic vesicles in two groups of rats: a control group subjected to sham stress and a stressed group subjected to a single acute foot-shock (FS)-stress episode. We hypothesize that the synaptic vesicles have different spatial distributions...... in the two groups. The spatial distributions are modelled using spatial point process models with an inhomogeneous conditional intensity and repulsive pairwise interactions. Our results verify the hypothesis that the two groups have different spatial distributions....

A customizable stochastic state point process filter (SSPPF) for neural spiking activity.

Science.gov (United States)

Xin, Yao; Li, Will X Y; Min, Biao; Han, Yan; Cheung, Ray C C

2013-01-01

Stochastic State Point Process Filter (SSPPF) is effective for adaptive signal processing. In particular, it has been successfully applied to neural signal coding/decoding in recent years. Recent work has proven its efficiency in non-parametric coefficients tracking in modeling of mammal nervous system. However, existing SSPPF has only been realized in commercial software platforms which limit their computational capability. In this paper, the first hardware architecture of SSPPF has been designed and successfully implemented on field-programmable gate array (FPGA), proving a more efficient means for coefficient tracking in a well-established generalized Laguerre-Volterra model for mammalian hippocampal spiking activity research. By exploring the intrinsic parallelism of the FPGA, the proposed architecture is able to process matrices or vectors with random size, and is efficiently scalable. Experimental result shows its superior performance comparing to the software implementation, while maintaining the numerical precision. This architecture can also be potentially utilized in the future hippocampal cognitive neural prosthesis design.

Simultaneous reconstruction of multiple depth images without off-focus points in integral imaging using a graphics processing unit.

Science.gov (United States)

Yi, Faliu; Lee, Jieun; Moon, Inkyu

2014-05-01

The reconstruction of multiple depth images with a ray back-propagation algorithm in three-dimensional (3D) computational integral imaging is computationally burdensome. Further, a reconstructed depth image consists of a focus and an off-focus area. Focus areas are 3D points on the surface of an object that are located at the reconstructed depth, while off-focus areas include 3D points in free-space that do not belong to any object surface in 3D space. Generally, without being removed, the presence of an off-focus area would adversely affect the high-level analysis of a 3D object, including its classification, recognition, and tracking. Here, we use a graphics processing unit (GPU) that supports parallel processing with multiple processors to simultaneously reconstruct multiple depth images using a lookup table containing the shifted values along the x and y directions for each elemental image in a given depth range. Moreover, each 3D point on a depth image can be measured by analyzing its statistical variance with its corresponding samples, which are captured by the two-dimensional (2D) elemental images. These statistical variances can be used to classify depth image pixels as either focus or off-focus points. At this stage, the measurement of focus and off-focus points in multiple depth images is also implemented in parallel on a GPU. Our proposed method is conducted based on the assumption that there is no occlusion of the 3D object during the capture stage of the integral imaging process. Experimental results have demonstrated that this method is capable of removing off-focus points in the reconstructed depth image. The results also showed that using a GPU to remove the off-focus points could greatly improve the overall computational speed compared with using a CPU.

Modelling point patterns with linear structures

DEFF Research Database (Denmark)

Møller, Jesper; Rasmussen, Jakob Gulddahl

2009-01-01

processes whose realizations contain such linear structures. Such a point process is constructed sequentially by placing one point at a time. The points are placed in such a way that new points are often placed close to previously placed points, and the points form roughly line shaped structures. We...... consider simulations of this model and compare with real data....

Modelling point patterns with linear structures

DEFF Research Database (Denmark)

Møller, Jesper; Rasmussen, Jakob Gulddahl

processes whose realizations contain such linear structures. Such a point process is constructed sequentially by placing one point at a time. The points are placed in such a way that new points are often placed close to previously placed points, and the points form roughly line shaped structures. We...... consider simulations of this model and compare with real data....

The Oil Point Method - A tool for indicative environmental evaluation in material and process selection

DEFF Research Database (Denmark)

Bey, Niki

2000-01-01

to three essential assessment steps, the method enables rough environmental evaluations and supports in this way material- and process-related decision-making in the early stages of design. In its overall structure, the Oil Point Method is related to Life Cycle Assessment - except for two main differences...... of environmental evaluation and only approximate information about the product and its life cycle. This dissertation addresses this challenge in presenting a method, which is tailored to these requirements of designers - the Oil Point Method (OPM). In providing environmental key information and confining itself...

A Systematic Approach to Process Evaluation in the Central Oklahoma Turning Point (COTP) Partnership

Science.gov (United States)

Tolma, Eleni L.; Cheney, Marshall K.; Chrislip, David D.; Blankenship, Derek; Troup, Pam; Hann, Neil

2011-01-01

Formation is an important stage of partnership development. Purpose: To describe the systematic approach to process evaluation of a Turning Point initiative in central Oklahoma during the formation stage. The nine-month collaborative effort aimed to develop an action plan to promote health. Methods: A sound planning framework was used in the…

Modelling metal-humate interactions: an approach based on the Gibbs-Donnan concept

International Nuclear Information System (INIS)

Ephraim, J.H.

1995-01-01

Humic and fulvic acids constitute an appreciable portion of organic substances in both aquatic and terrestrial environments. Their ability to sequester metal ions and other trace elements has engaged the interest of numerous environmental scientists recently and even though considerable advances have been made, a lot more remains unknown in the area. The existence of high molecular weight fractions and functional group heterogeneity have endowed ion exchange characteristics to these substances. For example, the cation exchange capacities of some humic substances have been compared to those of smectites. Recent development in the solution chemistry has also indicated that humic substances have the capability to interact with other anions because of their amphiphilic nature. In this paper, metal-humate interaction is described by relying heavily on information obtained from treatment of the solution chemistry of ion exchangers as typical polymers. In such a treatment, the perturbations to the metal-humate interaction are estimated by resort to the Gibbs-Donnan concept where the humic substance molecule is envisaged as having a potential counter-ion concentrating region around its molecular domain into which diffusible components can enter or leave depending on their corresponding electrochemical potentials. Information from studies with ion exchangers have been adapted to describe ionic equilibria involving these substances by making it possible to characterise the configuration/conformation of these natural organic acids and to correct for electrostatic effects in the metal-humate interaction. The resultant unified physicochemical approach has facilitated the identification and estimation of the complications to the solution chemistry of humic substances. (authors). 15 refs., 1 fig

Developing a Business Intelligence Process for a Training Module in SharePoint 2010

Science.gov (United States)

Schmidtchen, Bryce; Solano, Wanda M.; Albasini, Colby

2015-01-01

Prior to this project, training information for the employees of the National Center for Critical Processing and Storage (NCCIPS) was stored in an array of unrelated spreadsheets and SharePoint lists that had to be manually updated. By developing a content management system through a web application platform named SharePoint, this training system is now highly automated and provides a much less intensive method of storing training data and scheduling training courses. This system was developed by using SharePoint Designer and laying out the data structure for the interaction between different lists of data about the employees. The automation of data population inside of the lists was accomplished by implementing SharePoint workflows which essentially lay out the logic for how data is connected and calculated between certain lists. The resulting training system is constructed from a combination of five lists of data with a single list acting as the user-friendly interface. This interface is populated with the courses required for each employee and includes past and future information about course requirements. The employees of NCCIPS now have the ability to view, log, and schedule their training information and courses with much more ease. This system will relieve a significant amount of manual input and serve as a powerful informational resource for the employees of NCCIPS in the future.

Process for quality assurance of welded joints for electrical resistance point welding

International Nuclear Information System (INIS)

Schaefer, R.; Singh, S.

1977-01-01

In order to guarantee the reproducibility of welded joints of even quality (above all in the metal working industry), it is proposed that before starting resistance point welding, a preheating current should be allowed to flow at the site of the weld. A given reduction of the total resistance at the site of the weld should effect the time when the preheating current is switched over to welding current. This value is always predetermined empirically. Further possibilities of controlling the welding process are described, where the measurement of thermal expansion of the parts is used. A standard welding time is given. The rated course of electrode movement during the process can be predicted and a running comparison of nominal and actual values can be carried out. (RW) [de

Multiplicative point process as a model of trading activity

Science.gov (United States)

Gontis, V.; Kaulakys, B.

2004-11-01

Signals consisting of a sequence of pulses show that inherent origin of the 1/ f noise is a Brownian fluctuation of the average interevent time between subsequent pulses of the pulse sequence. In this paper, we generalize the model of interevent time to reproduce a variety of self-affine time series exhibiting power spectral density S( f) scaling as a power of the frequency f. Furthermore, we analyze the relation between the power-law correlations and the origin of the power-law probability distribution of the signal intensity. We introduce a stochastic multiplicative model for the time intervals between point events and analyze the statistical properties of the signal analytically and numerically. Such model system exhibits power-law spectral density S( f)∼1/ fβ for various values of β, including β= {1}/{2}, 1 and {3}/{2}. Explicit expressions for the power spectra in the low-frequency limit and for the distribution density of the interevent time are obtained. The counting statistics of the events is analyzed analytically and numerically, as well. The specific interest of our analysis is related with the financial markets, where long-range correlations of price fluctuations largely depend on the number of transactions. We analyze the spectral density and counting statistics of the number of transactions. The model reproduces spectral properties of the real markets and explains the mechanism of power-law distribution of trading activity. The study provides evidence that the statistical properties of the financial markets are enclosed in the statistics of the time interval between trades. A multiplicative point process serves as a consistent model generating this statistics.

Phenomenological Equations Relating Various Critical Anomalies above a Cubic-to-Tetragonal Phase Transition Point

Science.gov (United States)

Hamano, Katsumi; Hirotsu, Shunsuke

1980-01-01

Phenomenological equations are derived which interrelate the anomalies in various thermodynamic quantities above the transition point of a cubic-to-tetragonal phase transition caused by an instability of a triply degenerate soft mode. The anomalous part of the Gibbs free energy is assumed to be a simple sum of the three parts which represent the contributions from the three fluctuation components. A cylindrical approximation is adopted to each of the three contributions by taking into account the symmetry of the fluctuations. The theory predicts that the adiabatic elastic compliances, s11s, s12s, and also s11s-s12s should exhibit anomalies proportional to the anomaly in the specific heat at constant pressure. This is in marked contrast with the result of the generalized Pippard equations derived by Garland, and by Janovec. The new equations are successfully tested for KMnF3, CsPbCl3, and CsPbBr3. The β-γ transition of NH4Br is also discussed.

The Impact of the Delivery of Prepared Power Point Presentations on the Learning Process

Directory of Open Access Journals (Sweden)

Auksė Marmienė

2011-04-01

Full Text Available This article describes the process of the preparation and delivery of Power Point presentations and how it can be used by teachers as a resource for classroom teaching. The advantages of this classroom activity covering some of the problems and providing a few suggestions for dealing with those difficulties are also outlined. The major objective of the present paper is to investigate the students ability to choose the material and the content of Power Point presentations on professional topics via the Internet as well as the ability to prepare and deliver the presentation in front of the audience. The factors which determine the choice of the presentation subject are also analysed in this paper. After the delivery students were requested to self- and peer-assess the difficulties they faced in preparation and performance of the presentations by writing the reports. Learners’ attitudes to the choice of the topic of Power Point presentations were surveyed by administering a self-assessment questionnaire.

Thermodynamic functions of hydrogen bonding of amines in methanol derived from solution calorimetry data and headspace analysis

Energy Technology Data Exchange (ETDEWEB)

Zaitseva, Ksenia V., E-mail: zaitseva.ksenia@gmail.com [Chemical Institute, Kazan (Volga Region) Federal University, Kremlevskaya 18, Kazan 420008 (Russian Federation); Varfolomeev, Mikhail A., E-mail: vma.ksu@gmail.com [Chemical Institute, Kazan (Volga Region) Federal University, Kremlevskaya 18, Kazan 420008 (Russian Federation); Solomonov, Boris N., E-mail: boris.solomonov@ksu.ru [Chemical Institute, Kazan (Volga Region) Federal University, Kremlevskaya 18, Kazan 420008 (Russian Federation)

2012-05-10

Highlights: Black-Right-Pointing-Pointer Solution enthalpies and activity coefficients of amines in methanol were measured. Black-Right-Pointing-Pointer Thermodynamic functions of H-bonding of amines with methanol were determined. Black-Right-Pointing-Pointer Specific interaction entropy of amines in methanol can be about zero or positive. Black-Right-Pointing-Pointer Cooperativity of H-bonds in methanol media is smaller than in water solutions. Black-Right-Pointing-Pointer A new view on analysis of specific interaction of solute with methanol is presented. - Abstract: Reactivity and equilibrium properties of organic molecules in self-associated liquids greatly depend on the hydrogen bonding with solvent. This work contains comprehensive thermodynamic analysis of hydrogen bonding of aliphatic and aromatic amines in self-associated solvent methanol. Enthalpies of solution at infinite dilution and limiting activity coefficients for the studied systems were measured experimentally. Enthalpies and Gibbs energies of hydrogen bonding of amines with neat methanol were determined. These values were found to be decreased compared with hydrogen bond energy in equimolar complexes 'methanol-amine' determined in inert solvent or base media. A linear dependence between enthalpies and Gibbs energies of hydrogen bonding of amines with neat methanol was observed. It was firstly revealed that the entropy of specific interactions of amines with neat methanol can be about zero or positive. Disruption of solvent-solvent hydrogen bonds can be regarded as the most important step during dissolution of amine in methanol. It was found that the cooperative effect influences on the Gibbs energies of hydrogen bonding of amines in methanol, but in a lesser extent than in aqueous solutions. The new results show that the hydrogen bonding process in the self-associated solvents differs significantly from equimolar complexation in aprotic media.

Analysis of the stochastic channel model by Saleh & Valenzuela via the theory of point processes

DEFF Research Database (Denmark)

Jakobsen, Morten Lomholt; Pedersen, Troels; Fleury, Bernard Henri

2012-01-01

and underlying features, like the intensity function of the component delays and the delaypower intensity. The flexibility and clarity of the mathematical instruments utilized to obtain these results lead us to conjecture that the theory of spatial point processes provides a unifying mathematical framework...

Thermodynamic properties and drying kinetics of Bauhinia forficata Link leaves

Directory of Open Access Journals (Sweden)

Fernanda P. da Silva

Full Text Available ABSTRACT The aim of this study was to determine the effective diffusion coefficient and the thermodynamic properties of Bauhinia forficata Link leaves, considering two forms of thickness measurements and to describe the process by fitting mathematical models. The leaves were collected, taken to the laboratory and prepared to start the drying process in which four temperatures (40, 50, 60 and 70 °C were applied. After the drying process, the effective diffusion coefficient was determined through the theory of diffusion in liquid, allowing to obtain the values of the activation energy, enthalpy, entropy and Gibbs free energy. The description of the drying process was performed by setting the thirteen mathematical models used to represent constant drying of agricultural products. The Valcam model was selected to represent the drying kinetics B. forficata Link. Increased temperature promotes: decreasing enthalpy and entropy; increasing Gibbs free energy and effective diffusion coefficient. The effective diffusion coefficient is higher when the rib thickness is considered; thus, it is recommended to standardize and/or specify the points of measurement of leaf thickness.

Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides

Energy Technology Data Exchange (ETDEWEB)

Perlovich, German L., E-mail: glp@isc-ras.r [Department of Computer-Aided Molecular Design, Institute of Physiologically Active Compounds, Russian Academy of Sciences, 142432 Chernogolovka (Russian Federation); Institute of Solution Chemistry, Russian Academy of Sciences, 153045 Ivanovo (Russian Federation); Ryzhakov, Alex M. [Institute of Solution Chemistry, Russian Academy of Sciences, 153045 Ivanovo (Russian Federation); Strakhova, Nadezda N.; Kazachenko, Vladimir P. [Department of Computer-Aided Molecular Design, Institute of Physiologically Active Compounds, Russian Academy of Sciences, 142432 Chernogolovka (Russian Federation); Schaper, Klaus-Juergen [Research Center Borstel, Leibniz Center for Medicine and Biosciences, D-23845 Borstel (Germany); Raevsky, Oleg A. [Department of Computer-Aided Molecular Design, Institute of Physiologically Active Compounds, Russian Academy of Sciences, 142432 Chernogolovka (Russian Federation)

2011-05-15

Research highlights: {yields} The thermodynamic aspects of sublimation processes of some sulfonamides were studied by investigating the temperature dependence of vapor pressure using the transpiration method. {yields} Solubility processes of the compounds in water, phosphate buffer with pH 7.4 and n-octanol were investigated and corresponding thermodynamic functions were calculated as well. {yields} Thermodynamic characteristics of the sulfonamides solvation were evaluated. - Abstract: The thermodynamic aspects of sublimation processes of three sulfonamides with the general structures C{sub 6}H{sub 5}-SO{sub 2}NH-C{sub 6}H{sub 4}-R (R = 4-NO{sub 2}) and 4-NH{sub 2}-C{sub 6}H{sub 4}-SO{sub 2}NH-C{sub 6}H{sub 4}-R (R = 4-NO{sub 2}; 4-CN) were studied by investigating the temperature dependence of vapor pressure using the transpiration method. These data together with those obtained earlier for C{sub 6}H{sub 5}-SO{sub 2}NH-C{sub 6}H{sub 4}-R (R = 4-Cl) and 4-NH{sub 2}-C{sub 6}H{sub 4}-SO{sub 2}NH-C{sub 6}H{sub 4}-R (R = 4-Cl; 4-OMe; 4-C{sub 2}H{sub 5}) were analyzed and compared. A correlation was derived between sublimation Gibbs free energies and the sum of H-bond acceptor factors of the molecules. Solubility processes of the compounds in water, phosphate buffer with pH 7.4 and n-octanol (as phases modeling various drug delivery pathways) were investigated and corresponding thermodynamic functions were calculated as well. Thermodynamic characteristics of the sulfonamides solvation were evaluated. Also in this case a correlation between solubility/solvation Gibbs free energy values and the sum of H-bond acceptor factors was observed. For the sulfonamides with various substituents at para-position the processes of transfer from one solvent (water or buffer) to n-octanol were studied by a diagram method combined with analysis of enthalpic and entropic terms. Distinguishing between enthalpy and entropy, as is possible through the present approach, leads to the insight

Implementation of 5S tools as a starting point in business process reengineering

Directory of Open Access Journals (Sweden)

Vorkapić Miloš 0000-0002-3463-8665

2017-01-01

Full Text Available The paper deals with the analysis of elements which represent a starting point in implementation of a business process reengineering. We have used Lean tools through the analysis of 5S model in our research. On the example of finalization of the finished transmitter in IHMT-CMT production, 5S tools were implemented with a focus on Quality elements although the theory shows that BPR and TQM are two opposite activities in an enterprise. We wanted to distinguish the significance of employees’ self-discipline which helps the process of product finalization to develop in time and without waste and losses. In addition, the employees keep their work place clean, tidy and functional.

The signer and the sign: cortical correlates of person identity and language processing from point-light displays.

Science.gov (United States)

Campbell, Ruth; Capek, Cheryl M; Gazarian, Karine; MacSweeney, Mairéad; Woll, Bencie; David, Anthony S; McGuire, Philip K; Brammer, Michael J

2011-09-01

In this study, the first to explore the cortical correlates of signed language (SL) processing under point-light display conditions, the observer identified either a signer or a lexical sign from a display in which different signers were seen producing a number of different individual signs. Many of the regions activated by point-light under these conditions replicated those previously reported for full-image displays, including regions within the inferior temporal cortex that are specialised for face and body-part identification, although such body parts were invisible in the display. Right frontal regions were also recruited - a pattern not usually seen in full-image SL processing. This activation may reflect the recruitment of information about person identity from the reduced display. A direct comparison of identify-signer and identify-sign conditions showed these tasks relied to a different extent on the posterior inferior regions. Signer identification elicited greater activation than sign identification in (bilateral) inferior temporal gyri (BA 37/19), fusiform gyri (BA 37), middle and posterior portions of the middle temporal gyri (BAs 37 and 19), and superior temporal gyri (BA 22 and 42). Right inferior frontal cortex was a further focus of differential activation (signer>sign). These findings suggest that the neural systems supporting point-light displays for the processing of SL rely on a cortical network including areas of the inferior temporal cortex specialized for face and body identification. While this might be predicted from other studies of whole body point-light actions (Vaina, Solomon, Chowdhury, Sinha, & Belliveau, 2001) it is not predicted from the perspective of spoken language processing, where voice characteristics and speech content recruit distinct cortical regions (Stevens, 2004) in addition to a common network. In this respect, our findings contrast with studies of voice/speech recognition (Von Kriegstein, Kleinschmidt, Sterzer

INVESTIGATION OF THE PROCESS OF TARTARIC ACID SEPARATION ON AMBERLITE XAD2 IMPREGNATED WITH AMBERLITE LA-2

Directory of Open Access Journals (Sweden)

N. Marchitan

2012-12-01

Full Text Available This work describes an investigation of the process of reactive ion-exchange separation of tartaric acid from model systems with macroreticular resin AmberliteXAD2 impregnated with liquid ion-exchanger Amberlite LA-2 in batch equipment.The condition of Amberlite XAD2 impregnation process was investigated. Freudlichand Langmuir equations were verified and values of enthalpy, entropy and Gibbs energy were calculated. This article is an extended abstract of a communicationpresented at the Conference Ecological Chemistry 2012.

The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit.

Science.gov (United States)

Cheng, Bingqing; Tribello, Gareth A; Ceriotti, Michele

2017-09-14

In this paper we discuss how the information contained in atomistic simulations of homogeneous nucleation should be used when fitting the parameters in macroscopic nucleation models. We show how the number of solid and liquid atoms in such simulations can be determined unambiguously by using a Gibbs dividing surface and how the free energy as a function of the number of solid atoms in the nucleus can thus be extracted. We then show that the parameters (the chemical potential, the interfacial free energy, and a Tolman correction) of a model based on classical nucleation theory can be fitted using the information contained in these free-energy profiles but that the parameters in such models are highly correlated. This correlation is unfortunate as it ensures that small errors in the computed free energy surface can give rise to large errors in the extrapolated properties of the fitted model. To resolve this problem we thus propose a method for fitting macroscopic nucleation models that uses simulations of planar interfaces and simulations of three-dimensional nuclei in tandem. We show that when the chemical potentials and the interface energy are pinned to their planar-interface values, more precise estimates for the Tolman length are obtained. Extrapolating the free energy profile obtained from small simulation boxes to larger nuclei is thus more reliable.

Quantification of annual wildfire risk; A spatio-temporal point process approach.

Directory of Open Access Journals (Sweden)

Paula Pereira

2013-10-01

Full Text Available Policy responses for local and global firemanagement depend heavily on the proper understanding of the fire extent as well as its spatio-temporal variation across any given study area. Annual fire risk maps are important tools for such policy responses, supporting strategic decisions such as location-allocation of equipment and human resources. Here, we define risk of fire in the narrow sense as the probability of its occurrence without addressing the loss component. In this paper, we study the spatio-temporal point patterns of wildfires and model them by a log Gaussian Cox processes. Themean of predictive distribution of randomintensity function is used in the narrow sense, as the annual fire risk map for next year.

Point process modeling and estimation: Advances in the analysis of dynamic neural spiking data

Science.gov (United States)

Deng, Xinyi

2016-08-01

A common interest of scientists in many fields is to understand the relationship between the dynamics of a physical system and the occurrences of discrete events within such physical system. Seismologists study the connection between mechanical vibrations of the Earth and the occurrences of earthquakes so that future earthquakes can be better predicted. Astrophysicists study the association between the oscillating energy of celestial regions and the emission of photons to learn the Universe's various objects and their interactions. Neuroscientists study the link between behavior and the millisecond-timescale spike patterns of neurons to understand higher brain functions. Such relationships can often be formulated within the framework of state-space models with point process observations. The basic idea is that the dynamics of the physical systems are driven by the dynamics of some stochastic state variables and the discrete events we observe in an interval are noisy observations with distributions determined by the state variables. This thesis proposes several new methodological developments that advance the framework of state-space models with point process observations at the intersection of statistics and neuroscience. In particular, we develop new methods 1) to characterize the rhythmic spiking activity using history-dependent structure, 2) to model population spike activity using marked point process models, 3) to allow for real-time decision making, and 4) to take into account the need for dimensionality reduction for high-dimensional state and observation processes. We applied these methods to a novel problem of tracking rhythmic dynamics in the spiking of neurons in the subthalamic nucleus of Parkinson's patients with the goal of optimizing placement of deep brain stimulation electrodes. We developed a decoding algorithm that can make decision in real-time (for example, to stimulate the neurons or not) based on various sources of information present in

Modeling Electric Double-Layer Capacitors Using Charge Variation Methodology in Gibbs Ensemble

Directory of Open Access Journals (Sweden)

Ganeshprasad Pavaskar

2018-01-01

Full Text Available Supercapacitors deliver higher power than batteries and find applications in grid integration and electric vehicles. Recent work by Chmiola et al. (2006 has revealed unexpected increase in the capacitance of porous carbon electrodes using ionic liquids as electrolytes. The work has generated curiosity among both experimentalists and theoreticians. Here, we have performed molecular simulations using a recently developed technique (Punnathanam, 2014 for simulating supercapacitor system. In this technique, the two electrodes (containing electrolyte in slit pore are simulated in two different boxes using the Gibbs ensemble methodology. This reduces the number of particles required and interfacial interactions, which helps in reducing computational load. The method simulates an electric double-layer capacitor (EDLC with macroscopic electrodes with much smaller system sizes. In addition, the charges on individual electrode atoms are allowed to vary in response to movement of electrolyte ions (i.e., electrode is polarizable while ensuring these atoms are at the same electric potential. We also present the application of our technique on EDLCs with the electrodes modeled as slit pores and as complex three-dimensional pore networks for different electrolyte geometries. The smallest pore geometry showed an increase in capacitance toward the potential of 0 charge. This is in agreement with the new understanding of the electrical double layer in regions of dense ionic packing, as noted by Kornyshev’s theoretical model (Kornyshev, 2007, which also showed a similar trend. This is not addressed by the classical Gouy–Chapman theory for the electric double layer. Furthermore, the electrode polarizability simulated in the model improved the accuracy of the calculated capacitance. However, its addition did not significantly alter the capacitance values in the voltage range considered.

Marked point process framework for living probabilistic safety assessment and risk follow-up

International Nuclear Information System (INIS)

Arjas, Elja; Holmberg, Jan

1995-01-01

We construct a model for living probabilistic safety assessment (PSA) by applying the general framework of marked point processes. The framework provides a theoretically rigorous approach for considering risk follow-up of posterior hazards. In risk follow-up, the hazard of core damage is evaluated synthetically at time points in the past, by using some observed events as logged history and combining it with re-evaluated potential hazards. There are several alternatives for doing this, of which we consider three here, calling them initiating event approach, hazard rate approach, and safety system approach. In addition, for a comparison, we consider a core damage hazard arising in risk monitoring. Each of these four definitions draws attention to a particular aspect in risk assessment, and this is reflected in the behaviour of the consequent risk importance measures. Several alternative measures are again considered. The concepts and definitions are illustrated by a numerical example

Quality control for electron beam processing of polymeric materials by end-point analysis

International Nuclear Information System (INIS)

DeGraff, E.; McLaughlin, W.L.

1981-01-01

Properties of certain plastics, e.g. polytetrafluoroethylene, polyethylene, ethylene vinyl acetate copolymer, can be modified selectively by ionizing radiation. One of the advantages of this treatment over chemical methods is better control of the process and the end-product properties. The most convenient method of dosimetry for monitoring quality control is post-irradiation evaluation of the plastic itself, e.g., melt index and melt point determination. It is shown that by proper calibration in terms of total dose and sufficiently reproducible radiation effects, such product test methods provide convenient and meaningful analyses. Other appropriate standardized analytical methods include stress-crack resistance, stress-strain-to-fracture testing and solubility determination. Standard routine dosimetry over the dose and dose rate ranges of interest confirm that measured product end points can be correlated with calibrated values of absorbed dose in the product within uncertainty limits of the measurements. (author)

Comparison of plastic strains on AA5052 by single point incremental forming process using digital image processing

International Nuclear Information System (INIS)

Mugendiran, V.; Gnanavelbabu, A.

2017-01-01

In this study, a surface based strain measurement was used to determine the formability of the sheet metal. A strain measurement may employ manual calculation of plastic strains based on the reference circle and the deformed circle. The manual calculation method has a greater margin of error in the practical applications. In this paper, an attempt has been made to compare the formability by implementing three different theoretical approaches: Namely conventional method, least square method and digital based strain measurements. As the sheet metal was formed by a single point incremental process the etched circles get deformed into elliptical shapes approximately, image acquisition has been done before and after forming. The plastic strains of the deformed circle grids are calculated based on the non- deformed reference. The coordinates of the deformed circles are measured by various image processing steps. Finally the strains obtained from the deformed circle are used to plot the forming limit diagram. To evaluate the accuracy of the system, the conventional, least square and digital based method of prediction of the forming limit diagram was compared. Conventional method and least square method have marginal error when compared with digital based processing method. Measurement of strain based on image processing agrees well and can be used to improve the accuracy and to reduce the measurement error in prediction of forming limit diagram.

Comparison of plastic strains on AA5052 by single point incremental forming process using digital image processing

Energy Technology Data Exchange (ETDEWEB)

Mugendiran, V.; Gnanavelbabu, A. [Anna University, Chennai, Tamilnadu (India)

2017-06-15

In this study, a surface based strain measurement was used to determine the formability of the sheet metal. A strain measurement may employ manual calculation of plastic strains based on the reference circle and the deformed circle. The manual calculation method has a greater margin of error in the practical applications. In this paper, an attempt has been made to compare the formability by implementing three different theoretical approaches: Namely conventional method, least square method and digital based strain measurements. As the sheet metal was formed by a single point incremental process the etched circles get deformed into elliptical shapes approximately, image acquisition has been done before and after forming. The plastic strains of the deformed circle grids are calculated based on the non- deformed reference. The coordinates of the deformed circles are measured by various image processing steps. Finally the strains obtained from the deformed circle are used to plot the forming limit diagram. To evaluate the accuracy of the system, the conventional, least square and digital based method of prediction of the forming limit diagram was compared. Conventional method and least square method have marginal error when compared with digital based processing method. Measurement of strain based on image processing agrees well and can be used to improve the accuracy and to reduce the measurement error in prediction of forming limit diagram.

On the stability and dynamics of stochastic spiking neuron models: Nonlinear Hawkes process and point process GLMs.

Science.gov (United States)

Gerhard, Felipe; Deger, Moritz; Truccolo, Wilson

2017-02-01

Point process generalized linear models (PP-GLMs) provide an important statistical framework for modeling spiking activity in single-neurons and neuronal networks. Stochastic stability is essential when sampling from these models, as done in computational neuroscience to analyze statistical properties of neuronal dynamics and in neuro-engineering to implement closed-loop applications. Here we show, however, that despite passing common goodness-of-fit tests, PP-GLMs estimated from data are often unstable, leading to divergent firing rates. The inclusion of absolute refractory periods is not a satisfactory solution since the activity then typically settles into unphysiological rates. To address these issues, we derive a framework for determining the existence and stability of fixed points of the expected conditional intensity function (CIF) for general PP-GLMs. Specifically, in nonlinear Hawkes PP-GLMs, the CIF is expressed as a function of the previous spike history and exogenous inputs. We use a mean-field quasi-renewal (QR) approximation that decomposes spike history effects into the contribution of the last spike and an average of the CIF over all spike histories prior to the last spike. Fixed points for stationary rates are derived as self-consistent solutions of integral equations. Bifurcation analysis and the number of fixed points predict that the original models can show stable, divergent, and metastable (fragile) dynamics. For fragile models, fluctuations of the single-neuron dynamics predict expected divergence times after which rates approach unphysiologically high values. This metric can be used to estimate the probability of rates to remain physiological for given time periods, e.g., for simulation purposes. We demonstrate the use of the stability framework using simulated single-neuron examples and neurophysiological recordings. Finally, we show how to adapt PP-GLM estimation procedures to guarantee model stability. Overall, our results provide a

Determination of standard Gibbs free energy of formation for Ca2P2O7 and Ca(PO3)2 from solid-state EMF measurements using yttria stabilised zirconia as solid electrolyte

International Nuclear Information System (INIS)

Sandstroem, Malin Hannah; Bostroem, Dan; Rosen, Erik

2006-01-01

The equilibrium reactions: 3Ca 2 P 2 O 7 (s)+6Ni(s)-bar 2Ca 3 (PO 4 ) 2 (s)+2Ni 3 P(s)+52O 2 (g) and 2Ca(PO 3 ) 2 (s)+6Ni(s)-bar Ca 2 P 2 O 7 (s)+2Ni 3 P(s)+52O 2 (g) were studied in the temperature range 890K to 1140K. The oxygen equilibrium pressures were determined using galvanic cells incorporating yttria stabilized zirconia as solid electrolyte. From the measured data and using the literature values of standard Gibbs free energy of formation for Ca 3 (PO 4 ) 2 and Ni 3 P, the following relationship of the standard Gibbs free energy of formation for Ca 2 P 2 O 7 and Ca(PO 3 ) 2 were calculated:Δ f G o (Ca 2 P 2 O 7 )+/-11/(kJ.mol -1 )=-3475.9+1.5441(T/K)-0.1051(T/K).ln(T/K)andΔ f G o (Ca(PO 3 ) 2 )+/-12/(kJ.mol -1 )=-3334.8+6.1561(T/K)-0.6950(T/K).ln(T/K)

Implementation of hazard analysis and critical control point (HACCP) in dried anchovy production process

Science.gov (United States)

Citraresmi, A. D. P.; Wahyuni, E. E.

2018-03-01

The aim of this study was to inspect the implementation of Hazard Analysis and Critical Control Point (HACCP) for identification and prevention of potential hazards in the production process of dried anchovy at PT. Kelola Mina Laut (KML), Lobuk unit, Sumenep. Cold storage process is needed in each anchovy processing step in order to maintain its physical and chemical condition. In addition, the implementation of quality assurance system should be undertaken to maintain product quality. The research was conducted using a survey method, by following the whole process of making anchovy from the receiving raw materials to the packaging of final product. The method of data analysis used was descriptive analysis method. Implementation of HACCP at PT. KML, Lobuk unit, Sumenep was conducted by applying Pre Requisite Programs (PRP) and preparation stage consisting of 5 initial stages and 7 principles of HACCP. The results showed that CCP was found in boiling process flow with significant hazard of Listeria monocytogenesis bacteria and final sorting process with significant hazard of foreign material contamination in the product. Actions taken were controlling boiling temperature of 100 – 105°C for 3 - 5 minutes and training for sorting process employees.

The effect of starting point placement technique on thoracic transverse process strength: an ex vivo biomechanical study

Directory of Open Access Journals (Sweden)

Burton Douglas C

2010-07-01

Full Text Available Abstract Background The use of thoracic pedicle screws in spinal deformity, trauma, and tumor reconstruction is becoming more common. Unsuccessful screw placement may require salvage techniques utilizing transverse process hooks. The effect of different starting point placement techniques on the strength of the transverse process has not previously been reported. The purpose of this paper is to determine the biomechanical properties of the thoracic transverse process following various pedicle screw starting point placement techniques. Methods Forty-seven fresh-frozen human cadaveric thoracic vertebrae from T2 to T9 were disarticulated and matched by bone mineral density (BMD and transverse process (TP cross-sectional area. Specimens were randomized to one of four groups: A, control, and three others based on thoracic pedicle screw placement technique; B, straightforward; C, funnel; and D, in-out-in. Initial cortical bone removal for pedicle screw placement was made using a burr at the location on the transverse process or transverse process-laminar junction as published in the original description of each technique. The transverse process was tested measuring load-to-failure simulating a hook in compression mode. Analysis of covariance and Pearson correlation coefficients were used to examine the data. Results Technique was a significant predictor of load-to-failure (P = 0.0007. The least squares mean (LS mean load-to-failure of group A (control was 377 N, group B (straightforward 355 N, group C (funnel 229 N, and group D (in-out-in 301 N. Significant differences were noted between groups A and C, A and D, B and C, and C and D. BMD (0.925 g/cm2 [range, 0.624-1.301 g/cm2] was also a significant predictor of load-to-failure, for all specimens grouped together (P P 0.05. Level and side tested were not found to significantly correlate with load-to-failure. Conclusions The residual coronal plane compressive strength of the thoracic transverse process

Detection of bursts in extracellular spike trains using hidden semi-Markov point process models.

Science.gov (United States)

Tokdar, Surya; Xi, Peiyi; Kelly, Ryan C; Kass, Robert E

2010-08-01

Neurons in vitro and in vivo have epochs of bursting or "up state" activity during which firing rates are dramatically elevated. Various methods of detecting bursts in extracellular spike trains have appeared in the literature, the most widely used apparently being Poisson Surprise (PS). A natural description of the phenomenon assumes (1) there are two hidden states, which we label "burst" and "non-burst," (2) the neuron evolves stochastically, switching at random between these two states, and (3) within each state the spike train follows a time-homogeneous point process. If in (2) the transitions from non-burst to burst and burst to non-burst states are memoryless, this becomes a hidden Markov model (HMM). For HMMs, the state transitions follow exponential distributions, and are highly irregular. Because observed bursting may in some cases be fairly regular-exhibiting inter-burst intervals with small variation-we relaxed this assumption. When more general probability distributions are used to describe the state transitions the two-state point process model becomes a hidden semi-Markov model (HSMM). We developed an efficient Bayesian computational scheme to fit HSMMs to spike train data. Numerical simulations indicate the method can perform well, sometimes yielding very different results than those based on PS.

Phase-equilibria for design of coal-gasification processes: dew points of hot gases containing condensible tars. Final report

Energy Technology Data Exchange (ETDEWEB)

Prausnitz, J.M.

1980-05-01

This research is concerned with the fundamental physical chemistry and thermodynamics of condensation of tars (dew points) from the vapor phase at advanced temperatures and pressures. Fundamental quantitative understanding of dew points is important for rational design of heat exchangers to recover sensible heat from hot, tar-containing gases that are produced in coal gasification. This report includes essentially six contributions toward establishing the desired understanding: (1) Characterization of Coal Tars for Dew-Point Calculations; (2) Fugacity Coefficients for Dew-Point Calculations in Coal-Gasification Process Design; (3) Vapor Pressures of High-Molecular-Weight Hydrocarbons; (4) Estimation of Vapor Pressures of High-Boiling Fractions in Liquefied Fossil Fuels Containing Heteroatoms Nitrogen or Sulfur; and (5) Vapor Pressures of Heavy Liquid Hydrocarbons by a Group-Contribution Method.

Analysis of residual stress state in sheet metal parts processed by single point incremental forming

Science.gov (United States)

Maaß, F.; Gies, S.; Dobecki, M.; Brömmelhoff, K.; Tekkaya, A. E.; Reimers, W.

2018-05-01

The mechanical properties of formed metal components are highly affected by the prevailing residual stress state. A selective induction of residual compressive stresses in the component, can improve the product properties such as the fatigue strength. By means of single point incremental forming (SPIF), the residual stress state can be influenced by adjusting the process parameters during the manufacturing process. To achieve a fundamental understanding of the residual stress formation caused by the SPIF process, a valid numerical process model is essential. Within the scope of this paper the significance of kinematic hardening effects on the determined residual stress state is presented based on numerical simulations. The effect of the unclamping step after the manufacturing process is also analyzed. An average deviation of the residual stress amplitudes in the clamped and unclamped condition of 18 % reveals, that the unclamping step needs to be considered to reach a high numerical prediction quality.

Statistical thermodynamics of nonequilibrium processes

CERN Document Server

Keizer, Joel

1987-01-01

The structure of the theory ofthermodynamics has changed enormously since its inception in the middle of the nineteenth century. Shortly after Thomson and Clausius enunciated their versions of the Second Law, Clausius, Maxwell, and Boltzmann began actively pursuing the molecular basis of thermo­ dynamics, work that culminated in the Boltzmann equation and the theory of transport processes in dilute gases. Much later, Onsager undertook the elucidation of the symmetry oftransport coefficients and, thereby, established himself as the father of the theory of nonequilibrium thermodynamics. Com­ bining the statistical ideas of Gibbs and Langevin with the phenomenological transport equations, Onsager and others went on to develop a consistent statistical theory of irreversible processes. The power of that theory is in its ability to relate measurable quantities, such as transport coefficients and thermodynamic derivatives, to the results of experimental measurements. As powerful as that theory is, it is linear and...

The Efficiency of Strontium-90 Desorption Using Iron (III) Solutions in the Decontamination Process of Radioactive Soils

OpenAIRE

Olga Vladimirovna Cheremisina; Vasiliy Sergeev; Varvara Alabusheva; Alexander Fedorov; Alexandra Iliyna

2018-01-01

The paper presents the investigation on the estimated efficiency of iron (III) chloride solutions in the decontamination process of radioactive soils with 90 Sr, according to kinetic and thermodynamic characteristics of the desorption process. The specific 90 Sr radioactivity of soil samples was (3.9±0.3)·104 Bq·g. The adsorption isotherms of Sr 2+ and Fe 3+ are described with the Langmuir equation. The values of Gibbs energy G0298 = -4.65 kJ·mol -1 and equilibrium ion exchange constant ...

Gibbs energy calculation of electrolytic plasma channel with inclusions of copper and copper oxide with Al-base

Science.gov (United States)

Posuvailo, V. M.; Klapkiv, M. D.; Student, M. M.; Sirak, Y. Y.; Pokhmurska, H. V.

2017-03-01

The oxide ceramic coating with copper inclusions was synthesized by the method of plasma electrolytic oxidation (PEO). Calculations of the Gibbs energies of reactions between the plasma channel elements with inclusions of copper and copper oxide were carried out. Two methods of forming the oxide-ceramic coatings on aluminum base in electrolytic plasma with copper inclusions were established. The first method - consist in the introduction of copper into the aluminum matrix, the second - copper oxide. During the synthesis of oxide ceramic coatings plasma channel does not react with copper and copper oxide-ceramic included in the coating. In the second case is reduction of copper oxide in interaction with elements of the plasma channel. The content of oxide-ceramic layer was investigated by X-ray and X-ray microelement analysis. The inclusions of copper, CuAl2, Cu9Al4 in the oxide-ceramic coatings were found. It was established that in the spark plasma channels alongside with the oxidation reaction occurs also the reaction aluminothermic reduction of the metal that allows us to dope the oxide-ceramic coating by metal the isobaric-isothermal potential oxidation of which is less negative than the potential of the aluminum oxide.

Gibbs energy modelling of the driving forces and calculation of the fcc/hcp martensitic transformation temperatures in Fe-Mn and Fe-Mn-Si alloys

International Nuclear Information System (INIS)

Cotes, S.; Fernandez Guillermet, A.; Sade, M.

1999-01-01

Very recent, accurate dilatometric measurements of the fcc hcp martensitic transformation (MT) temperatures are used to develop a new thermodynamic description of the fcc and hcp phases in the Fe-Mn-Si system, based on phenomenological models for the Gibbs energy function. The composition dependence of the driving forces for the fcc→hcp and the hcp→fcc MTs is established. Detailed calculations of the MT temperatures are reported, which are used to investigate the systematic effects of Si additions upon the MT temperatures of Fe-Mn alloys. A critical comparison with one of the most recent thermodynamic analyses of the Fe-Mn-Si system, which is due to Forsberg and Agren, is also presented. (orig.)

Some probabilistic properties of fractional point processes

KAUST Repository

Garra, Roberto

2017-05-16

In this article, the first hitting times of generalized Poisson processes N-f (t), related to Bernstein functions f are studied. For the spacefractional Poisson processes, N alpha (t), t > 0 ( corresponding to f = x alpha), the hitting probabilities P{T-k(alpha) < infinity} are explicitly obtained and analyzed. The processes N-f (t) are time-changed Poisson processes N( H-f (t)) with subordinators H-f (t) and here we study N(Sigma H-n(j= 1)f j (t)) and obtain probabilistic features of these extended counting processes. A section of the paper is devoted to processes of the form N( G(H,v) (t)) where G(H,v) (t) are generalized grey Brownian motions. This involves the theory of time-dependent fractional operators of the McBride form. While the time-fractional Poisson process is a renewal process, we prove that the space-time Poisson process is no longer a renewal process.

Strand Analysis, a free online program for the computational identification of the best RNA interference (RNAi targets based on Gibbs free energy

Directory of Open Access Journals (Sweden)

Tiago Campos Pereira

2007-01-01

Full Text Available The RNA interference (RNAi technique is a recent technology that uses double-stranded RNA molecules to promote potent and specific gene silencing. The application of this technique to molecular biology has increased considerably, from gene function identification to disease treatment. However, not all small interfering RNAs (siRNAs are equally efficient, making target selection an essential procedure. Here we present Strand Analysis (SA, a free online software tool able to identify and classify the best RNAi targets based on Gibbs free energy (deltaG. Furthermore, particular features of the software, such as the free energy landscape and deltaG gradient, may be used to shed light on RNA-induced silencing complex (RISC activity and RNAi mechanisms, which makes the SA software a distinct and innovative tool.

The Ideal Ionic Liquid Salt Bridge for the Direct Determination of Gibbs Energies of Transfer of Single Ions, Part I: The Concept.

Science.gov (United States)

Radtke, Valentin; Ermantraut, Andreas; Himmel, Daniel; Koslowski, Thorsten; Leito, Ivo; Krossing, Ingo

2018-02-23

Described is a procedure for the thermodynamically rigorous, experimental determination of the Gibbs energy of transfer of single ions between solvents. The method is based on potential difference measurements between two electrochemical half cells with different solvents connected by an ideal ionic liquid salt bridge (ILSB). Discussed are the specific requirements for the IL with regard to the procedure, thus ensuring that the liquid junction potentials (LJP) at both ends of the ILSB are mostly canceled. The remaining parts of the LJPs can be determined by separate electromotive force measurements. No extra-thermodynamic assumptions are necessary for this procedure. The accuracy of the measurements depends, amongst others, on the ideality of the IL used, as shown in our companion paper Part II. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Spectroscopic and MD simulation studies on unfolding processes of mitochondrial carbonic anhydrase VA induced by urea.

Science.gov (United States)

Idrees, Danish; Prakash, Amresh; Haque, Md Anzarul; Islam, Asimul; Ahmad, Faizan; Hassan, Md Imtaiyaz

2016-09-01

Carbonic anhydrase VA (CAVA) is primarily expressed in the mitochondria and involved in numerous physiological processes including lipogenesis, insulin secretion from pancreatic cells, ureagenesis, gluconeogenesis and neuronal transmission. To understand the biophysical properties of CAVA, we carried out a reversible urea-induced isothermal denaturation at pH 7.0 and 25°C. Spectroscopic probes, [θ]222 (mean residue ellipticity at 222 nm), F344 (Trp-fluorescence emission intensity at 344 nm) and Δε280 (difference absorption at 280 nm) were used to monitor the effect of urea on the structure and stability of CAVA. The urea-induced reversible denaturation curves were used to estimate [Formula: see text], Gibbs free energy in the absence of urea; Cm, the mid-point of the denaturation curve, i.e. molar urea concentration ([urea]) at which ΔGD = 0; and m, the slope (=∂ΔGD/∂[urea]). Coincidence of normalized transition curves of all optical properties suggests that unfolding/refolding of CAVA is a two-state process. We further performed 40 ns molecular dynamics simulation of CAVA to see the dynamics at different urea concentrations. An excellent agreement was observed between in silico and in vitro studies.

Calorimetry end-point predictions

International Nuclear Information System (INIS)

Fox, M.A.

1981-01-01

This paper describes a portion of the work presently in progress at Rocky Flats in the field of calorimetry. In particular, calorimetry end-point predictions are outlined. The problems associated with end-point predictions and the progress made in overcoming these obstacles are discussed. The two major problems, noise and an accurate description of the heat function, are dealt with to obtain the most accurate results. Data are taken from an actual calorimeter and are processed by means of three different noise reduction techniques. The processed data are then utilized by one to four algorithms, depending on the accuracy desired to determined the end-point

Modeling solubility of CO2/hydrocarbon gas in ionic liquid ([emim][FAP]) using Aspen Plus simulations.

Science.gov (United States)

Bagchi, Bishwadeep; Sati, Sushmita; Shilapuram, Vidyasagar

2017-08-01

The Peng-Robinson equation of state with quadratic van der Waals (vdW) mixing rule model was chosen to perform the thermodynamic calculations in Flash3 column of Aspen Plus to predict the solubility of CO 2 or any one of the hydrocarbons (HCs) among methane, ethane, propane, and butane in an ionic liquid 1-ethyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate ([emim][FAP]). Bubble point pressure, solubility, bubble point temperature, fugacity, and partial molar volume at infinite dilution were obtained from the simulations, and enthalpy of absorption, Gibbs free energy of solvation, and entropy change of absorption were estimated by thermodynamic relations. Results show that carbon chain length has a significant effect on the bubble point pressure. Methane has the highest bubble point pressure among all the considered HCs and CO 2 . The bubble point pressure and fugacity variation with temperature is different for CO 2 as compared to HCs for mole fractions above 0.2. Two different profiles are noticed for enthalpy of absorption when plotted as a function of mole fraction of gas soluble in IL. Partial molar volume of CO 2 decreases with increase in temperature in [emim][FAP], while it is increased for HCs. Bubble point temperature decreases with increase in the mole fraction of the solute. Entropy of solvation increases with temperature till a particular value followed by a decrease with further increase in temperature. Gibbs free energy change of solvation showed that the process of solubility was spontaneous.

Isothermal titration calorimetry of sorption processes. A promising approach

Energy Technology Data Exchange (ETDEWEB)

Jordan, Norbert; Foerstendorf, Harald [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Surface Processes; Drobot, B. [Technische Univ. Dresden (Germany); Fahmy, Karim [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Biophysics; Reder, Christian

2017-06-01

As a consequence of nuclear waste disintegration heat, elevated temperatures in the near field may influence radionuclide retention significantly. However, there is a nearly complete lack of spectroscopic investigations of sorption processes at elevated temperatures. In addition, experimental data on free Gibbs energy (Δ{sub R}G), enthalpy (Δ{sub R}H) and entropy (Δ{sub R}S) of reactions of most radionuclides including fission products such as {sup 79}Se are sparse. Using the Se(IV)/hematite system, we show that microcalorimetry can provide these thermodynamic parameters with high accuracy and in a manner that allows studying various radionuclides.

A Comparative Study of Applying Active-Set and Interior Point Methods in MPC for Controlling Nonlinear pH Process

Directory of Open Access Journals (Sweden)

Syam Syafiie

2014-06-01

Full Text Available A comparative study of Model Predictive Control (MPC using active-set method and interior point methods is proposed as a control technique for highly non-linear pH process. The process is a strong acid-strong base system. A strong acid of hydrochloric acid (HCl and a strong base of sodium hydroxide (NaOH with the presence of buffer solution sodium bicarbonate (NaHCO3 are used in a neutralization process flowing into reactor. The non-linear pH neutralization model governed in this process is presented by multi-linear models. Performance of both controllers is studied by evaluating its ability of set-point tracking and disturbance-rejection. Besides, the optimization time is compared between these two methods; both MPC shows the similar performance with no overshoot, offset, and oscillation. However, the conventional active-set method gives a shorter control action time for small scale optimization problem compared to MPC using IPM method for pH control.

Intensity-dependent point spread image processing

International Nuclear Information System (INIS)

Cornsweet, T.N.; Yellott, J.I.

1984-01-01

There is ample anatomical, physiological and psychophysical evidence that the mammilian retina contains networks that mediate interactions among neighboring receptors, resulting in intersecting transformations between input images and their corresponding neural output patterns. The almost universally accepted view is that the principal form of interaction involves lateral inhibition, resulting in an output pattern that is the convolution of the input with a ''Mexican hat'' or difference-of-Gaussians spread function, having a positive center and a negative surround. A closely related process is widely applied in digital image processing, and in photography as ''unsharp masking''. The authors show that a simple and fundamentally different process, involving no inhibitory or subtractive terms can also account for the physiological and psychophysical findings that have been attributed to lateral inhibition. This process also results in a number of fundamental effects that occur in mammalian vision and that would be of considerable significance in robotic vision, but which cannot be explained by lateral inhibitory interaction

Physical-Mathematical Model for Fixed-Bed Solid Fuel Gasification Process Simulation

Directory of Open Access Journals (Sweden)

Slyusarskiy Konstantin V.

2017-01-01

Full Text Available Phycial-mathmatical model for fixed-bed coal gasification process simulation is proposed. The heterogeneous carbon oxidation chemical reactions were simulated via Arrhenius equation while homogeneous reactions in gas phase were calculated using Gibbs free energy minimization procedure. The syngas component concentration field and fuel conversion distribution as well as syngas final temperature and composition were defined for fixed bed gasification of T-grade coal of Kuznetskiy deposit. The optimal fuel residence time and gasifyer specific productivity were defined. The prevail reactions in oxidizing and reduction zones together with its height were defined.

Quasi-Phase Diagrams at Air/Oil Interfaces and Bulk Oil Phases for Crystallization of Small-Molecular Semiconductors by Adjusting Gibbs Adsorption.

Science.gov (United States)

Watanabe, Satoshi; Ohta, Takahisa; Urata, Ryota; Sato, Tetsuya; Takaishi, Kazuto; Uchiyama, Masanobu; Aoyama, Tetsuya; Kunitake, Masashi

2017-09-12

The temperature and concentration dependencies of the crystallization of two small-molecular semiconductors were clarified by constructing quasi-phase diagrams at air/oil interfaces and in bulk oil phases. A quinoidal quaterthiophene derivative with four alkyl chains (QQT(CN)4) in 1,1,2,2-tetrachroloethane (TCE) and a thienoacene derivative with two alkyl chains (C8-BTBT) in o-dichlorobenzene were used. The apparent crystal nucleation temperature (T n ) and dissolution temperature (T d ) of the molecules were determined based on optical microscopy examination in closed glass capillaries and open dishes during slow cooling and heating processes, respectively. T n and T d were considered estimates of the critical temperatures for nuclear formation and crystal growth, respectively. The T n values of QQT(CN)4 and C8-BTBT at the air/oil interfaces were higher than those in the bulk oil phases, whereas the T d values at the air/oil interfaces were almost the same as those in the bulk oil phases. These Gibbs adsorption phenomena were attributed to the solvophobic effect of the alkyl chain moieties. The temperature range between T n and T d corresponds to suitable supercooling conditions for ideal crystal growth based on the suppression of nucleation. The T n values at the water/oil and oil/glass interfaces did not shift compared with those of the bulk phases, indicating that adsorption did not occur at the hydrophilic interfaces. Promotion and inhibition of nuclear formation for crystal growth of the semiconductors were achieved at the air/oil and hydrophilic interfaces, respectively.

Pseudo-dynamic source modelling with 1-point and 2-point statistics of earthquake source parameters

KAUST Repository

Song, S. G.; Dalguer, L. A.; Mai, Paul Martin

2013-01-01

statistical framework that governs the finite-fault rupture process with 1-point and 2-point statistics of source parameters in order to quantify the variability of finite source models for future scenario events. We test this method by extracting 1-point

Optimization of the single point incremental forming process for titanium sheets by using response surface

Directory of Open Access Journals (Sweden)

Saidi Badreddine

2016-01-01

Full Text Available The single point incremental forming process is well-known to be perfectly suited for prototyping and small series. One of its fields of applicability is the medicine area for the forming of titanium prostheses or titanium medical implants. However this process is not yet very industrialized, mainly due its geometrical inaccuracy, its not homogeneous thickness distribution& Moreover considerable forces can occur. They must be controlled in order to preserve the tooling. In this paper, a numerical approach is proposed in order to minimize the maximum force achieved during the incremental forming of titanium sheets and to maximize the minimal thickness. A surface response methodology is used to find the optimal values of two input parameters of the process, the punch diameter and the vertical step size of the tool path.

Theory of First Order Chemical Kinetics at the Critical Point of Solution.

Science.gov (United States)

Baird, James K; Lang, Joshua R

2017-10-26

Liquid mixtures, which have a phase diagram exhibiting a miscibility gap ending in a critical point of solution, have been used as solvents for chemical reactions. The reaction rate in the forward direction has often been observed to slow down as a function of temperature in the critical region. Theories based upon the Gibbs free energy of reaction as the driving force for chemical change have been invoked to explain this behavior. With the assumption that the reaction is proceeding under relaxation conditions, these theories expand the free energy in a Taylor series about the position of equilibrium. Since the free energy is zero at equilibrium, the leading term in the Taylor series is proportional to the first derivative of the free energy with respect to the extent of reaction. To analyze the critical behavior of this derivative, the theories exploit the principle of critical point isomorphism, which is thought to govern all critical phenomena. They find that the derivative goes to zero in the critical region, which accounts for the slowing down observed in the reaction rate. As has been pointed out, however, most experimental rate investigations have been carried out under irreversible conditions as opposed to relaxation conditions [Shen et al. J. Phys. Chem. A 2015, 119, 8784-8791]. Below, we consider a reaction governed by first order kinetics and invoke transition state theory to take into account the irreversible conditions. We express the apparent activation energy in terms of thermodynamic derivatives evaluated under standard conditions as well as the pseudoequilibrium conditions associated with the reactant and the activated complex. We show that these derivatives approach infinity in the critical region. The apparent activation energy follows this behavior, and its divergence accounts for the slowing down of the reaction rate.

From Takeoff to Landing: Looking at the Design Process for the Development of NASA Blast at Thanksgiving Point

Directory of Open Access Journals (Sweden)

Stephen Ashton

2011-01-01

Full Text Available In this article we discuss the process of design used to develop and design the NASA Blast exhibition at Thanksgiving Point, a museum complex in Lehi, Utah. This was a class project for the Advanced Instructional Design Class at Brigham Young University. In an attempt to create a new discourse (Krippendorff, 2006 for Thanksgiving Point visitors and staff members, the design class used a very fluid design approach by utilizing brainstorming, researching, class member personas, and prototyping to create ideas for the new exhibition. Because of the nature of the experience, the design class developed their own techniques to enhance the process of their design. The result of the design was a compelling narrative that brought all the elements of the exhibition together in a cohesive piece.

Variación de la energía libre de Gibbs de la caolinita en función de la cristalinidad y tamaño de partícula

Directory of Open Access Journals (Sweden)

La Iglesia, A.

1989-12-01

Full Text Available The effect of grinding on crystallinity, particle size and solubility of two samples of kaolinite was studied. The standard Gibbs free energies of formation of different ground samples were calculated from solubility measurements, and show a direct relationship between Gibbs free energy and particle size-crystallinity variation. Values of -3752.2 and -3776.4 KJ/mol. were determinated for ΔGºl (am and ΔGºl (crys of kaolinite, respectively. A new thermodinamic equation that relates ΔGºl to particle size is proposed. This equation can probably be extended to clay mineals.Se estudia el efecto de la molienda prolongada sobre la cristalinidad, tamaño de partícula y solubilidad de dos muestras de caolinita. Se ha calculado la energía libre estandar de formación del mineral a partir de medidas de solubilidad, encontrando una relación directa entre ΔGºl, y las variaciones de tamaño de partícula y cristalinidad de las muestras. Por extrapolación, se han obtenido los valores de -3752,0 y -3776,4 KJ/mol. para ΔGºl caolinita amorfa y cristalina. Se propone una ecuación termodinámica que relaciona ΔGºl y el tamaño de partícula de la caolinita; esta ecuación puede aplicarse también a otros minerales de la arcilla.

Comparison of Boltzmann and Gibbs entropies for the analysis of single-chain phase transitions

Science.gov (United States)

Shakirov, T.; Zablotskiy, S.; Böker, A.; Ivanov, V.; Paul, W.

2017-03-01

In the last 10 years, flat histogram Monte Carlo simulations have contributed strongly to our understanding of the phase behavior of simple generic models of polymers. These simulations result in an estimate for the density of states of a model system. To connect this result with thermodynamics, one has to relate the density of states to the microcanonical entropy. In a series of publications, Dunkel, Hilbert and Hänggi argued that it would lead to a more consistent thermodynamic description of small systems, when one uses the Gibbs definition of entropy instead of the Boltzmann one. The latter is the logarithm of the density of states at a certain energy, the former is the logarithm of the integral of the density of states over all energies smaller than or equal to this energy. We will compare the predictions using these two definitions for two polymer models, a coarse-grained model of a flexible-semiflexible multiblock copolymer and a coarse-grained model of the protein poly-alanine. Additionally, it is important to note that while Monte Carlo techniques are normally concerned with the configurational energy only, the microcanonical ensemble is defined for the complete energy. We will show how taking the kinetic energy into account alters the predictions from the analysis. Finally, the microcanonical ensemble is supposed to represent a closed mechanical N-particle system. But due to Galilei invariance such a system has two additional conservation laws, in general: momentum and angular momentum. We will also show, how taking these conservation laws into account alters the results.

ECG fiducial point extraction using switching Kalman filter.

Science.gov (United States)

Akhbari, Mahsa; Ghahjaverestan, Nasim Montazeri; Shamsollahi, Mohammad B; Jutten, Christian

2018-04-01

In this paper, we propose a novel method for extracting fiducial points (FPs) of the beats in electrocardiogram (ECG) signals using switching Kalman filter (SKF). In this method, according to McSharry's model, ECG waveforms (P-wave, QRS complex and T-wave) are modeled with Gaussian functions and ECG baselines are modeled with first order auto regressive models. In the proposed method, a discrete state variable called "switch" is considered that affects only the observation equations. We denote a mode as a specific observation equation and switch changes between 7 modes and corresponds to different segments of an ECG beat. At each time instant, the probability of each mode is calculated and compared among two consecutive modes and a path is estimated, which shows the relation of each part of the ECG signal to the mode with the maximum probability. ECG FPs are found from the estimated path. For performance evaluation, the Physionet QT database is used and the proposed method is compared with methods based on wavelet transform, partially collapsed Gibbs sampler (PCGS) and extended Kalman filter. For our proposed method, the mean error and the root mean square error across all FPs are 2 ms (i.e. less than one sample) and 14 ms, respectively. These errors are significantly smaller than those obtained using other methods. The proposed method achieves lesser RMSE and smaller variability with respect to others. Copyright © 2018 Elsevier B.V. All rights reserved.

Modelling estimation and analysis of dynamic processes from image sequences using temporal random closed sets and point processes with application to the cell exocytosis and endocytosis

OpenAIRE

Díaz Fernández, Ester

2010-01-01

In this thesis, new models and methodologies are introduced for the analysis of dynamic processes characterized by image sequences with spatial temporal overlapping. The spatial temporal overlapping exists in many natural phenomena and should be addressed properly in several Science disciplines such as Microscopy, Material Sciences, Biology, Geostatistics or Communication Networks. This work is related to the Point Process and Random Closed Set theories, within Stochastic Ge...

Discussion of "Modern statistics for spatial point processes"

DEFF Research Database (Denmark)

Jensen, Eva Bjørn Vedel; Prokesová, Michaela; Hellmund, Gunnar

2007-01-01

ABSTRACT. The paper ‘Modern statistics for spatial point processes’ by Jesper Møller and Rasmus P. Waagepetersen is based on a special invited lecture given by the authors at the 21st Nordic Conference on Mathematical Statistics, held at Rebild, Denmark, in June 2006. At the conference, Antti...

Finite Elements on Point Based Surfaces

NARCIS (Netherlands)

Clarenz, U.; Rumpf, M.; Telea, A.

2004-01-01

We present a framework for processing point-based surfaces via partial differential equations (PDEs). Our framework efficiently and effectively brings well-known PDE-based processing techniques to the field of point-based surfaces. Our method is based on the construction of local tangent planes and

Parametric Architectural Design with Point-clouds

DEFF Research Database (Denmark)

Zwierzycki, Mateusz; Evers, Henrik Leander; Tamke, Martin

2016-01-01

This paper investigates the efforts and benefits of the implementation of point clouds into architectural design processes and tools. Based on a study on the principal work processes of designers with point clouds the prototypical plugin/library - Volvox - was developed for the parametric modelling...

Study on the Melting Point Depression of Tin Nanoparticles Manufactured by Modified Evaporation Method

Energy Technology Data Exchange (ETDEWEB)

Kim, Hyun Jin; Beak, Il Kwon; Kim, Kyu Han; Jang, Seok Pil [Korea Aerospace University, Goyang (Korea, Republic of)

2014-08-15

In the present study, the melting temperature depression of Sn nanoparticles manufactured using the modified evaporation method was investigated. For this purpose, a modified evaporation method with mass productivity was developed. Using the manufacturing process, Sn nanoparticles of 10 nm size was manufactured in benzyl alcohol solution to prevent oxidation. To examine the morphology and size distribution of the nanonoparticles, a transmission electron microscope was used. The melting temperature of the Sn nanoparticles was measured using a Differential scanning calorimetry (DSC) which can calculate the endothermic energy during the phase changing process and an X-ray photoelectron spectroscopy (XPS) used for observing the manufactured Sn nanoparticle compound. The melting temperature of the Sn nanoparticles was observed to be 129 ℃, which is 44 ℃ lower than that of the bulk material. Finally, the melting temperature was compared with the Gibbs Thomson and Lai's equations, which can predict the melting temperature according to the particle size. Based on the experimental results, the melting temperature of the Sn nanoparticles was found to match well with those recommended by the Lai's equation.

The Charlie-Gibbs Fracture Zone: A Crossroads of the Atlantic Meridional Overturning Circulation

Science.gov (United States)

Bower, A. S.; Furey, H. H.; Xu, X.

2016-02-01

The Charlie-Gibbs Fracture Zone (CGFZ), a deep gap in the Mid-Atlantic Ridge at 52N, is the primary conduit for westward-flowing Iceland-Scotland Overflow Water (ISOW), which merges with Denmark Strait Overflow Water to form the Deep Western Boundary Current. The CGFZ has also been shown to "funnel" the path of the northern branch of the eastward-flowing North Atlantic Current (NAC), thereby bringing these two branches of the AMOC into close proximity. A recent two-year time series of hydrographic properties and currents from eight tall moorings across the CGFZ offers the first opportunity to investigate the NAC as a source of variability for ISOW transport. The two-year mean and standard deviation of ISOW transport was -1.7 ± 1.5 Sv, compared to -2.4 ± 3.0 Sv reported by Saunders for a 13-month period in 1988-1989. Differences in the two estimates are partly explained by limitations of the Saunders array, but more importantly reflect the strong low-frequency variability in ISOW transport through CGFZ (which includes complete reversals). Both the observations and output from a multi-decadal simulation of the North Atlantic using the Hybrid Coordinate Ocean Model (HYCOM) forced with interannually varying wind and buoyancy fields indicate a strong positive correlation between ISOW transport and the strength of the NAC through the CGFZ (stronger eastward NAC related to weaker westward ISOW transport). Vertical structure of the low-frequency current variability and water mass structure in the CGFZ will also be discussed. The results have implications regarding the interaction of the upper and lower limbs of the AMOC, and downstream propagation of ISOW transport variability in the Deep Western Boundary Current.

A development of the Gibbs potential of a quantised system made up of a large number of particles. III. The contribution of binary collisions; Un developpement du potentiel de Gibbs d'un systeme quantique compose d'un grand nombre de particules. III- La contribution des collisions binaires

Energy Technology Data Exchange (ETDEWEB)

BLOCH, Claude; DE DOMINICIS, Cyrano [Commissariat a l' energie atomique et aux energies alternatives - CEA, Centre d' etudes Nucleaires de Saclay, Gif-sur-Yvette (France)

1959-07-01

Starting from an expansion derived in a previous work, we study the contribution to the Gibbs potential of the two-body dynamical correlations, taking into account the statistical correlations. Such a contribution is of interest for low-density systems at low temperature. In the zero density limit, it reduces to the Beth-Uhlenbeck expression for the second virial coefficient. For a system of fermions in the zero temperature limit, it yields the contribution of the Brueckner reaction matrix to the ground state energy, plus, under certain conditions, additional terms of the form exp ( β / Δ /), where the Δ are the binding energies of 'bound states' of the type first discussed by L. Cooper. Finally, we study the wave function of two particles immersed in a medium (defined by its temperature and chemical potential). It satisfies an equation generalizing the Bethe-Goldstone equation for an arbitrary temperature. Reprint of a paper published in Nuclear Physics, 10, p. 509-526, 1959.

Accuracy of heart rate variability estimation by photoplethysmography using an smartphone: Processing optimization and fiducial point selection.

Science.gov (United States)

Ferrer-Mileo, V; Guede-Fernandez, F; Fernandez-Chimeno, M; Ramos-Castro, J; Garcia-Gonzalez, M A

2015-08-01

This work compares several fiducial points to detect the arrival of a new pulse in a photoplethysmographic signal using the built-in camera of smartphones or a photoplethysmograph. Also, an optimization process for the signal preprocessing stage has been done. Finally we characterize the error produced when we use the best cutoff frequencies and fiducial point for smartphones and photopletysmograph and compare if the error of smartphones can be reasonably be explained by variations in pulse transit time. The results have revealed that the peak of the first derivative and the minimum of the second derivative of the pulse wave have the lowest error. Moreover, for these points, high pass filtering the signal between 0.1 to 0.8 Hz and low pass around 2.7 Hz or 3.5 Hz are the best cutoff frequencies. Finally, the error in smartphones is slightly higher than in a photoplethysmograph.

Untitled

Indian Academy of Sciences (India)

e centred around the point i are considered to form the Gibbs set; note that these points.jshould refer to times well different from the one of the pointi, i.e. i>jor ikj, because otherwise one considers points that are just the positions assumed by the reference point during its diffusion interval. These points are initially disposed in.

Seed Dispersal, Microsites or Competition—What Drives Gap Regeneration in an Old-Growth Forest? An Application of Spatial Point Process Modelling

Directory of Open Access Journals (Sweden)

Georg Gratzer

2018-04-01

Full Text Available The spatial structure of trees is a template for forest dynamics and the outcome of a variety of processes in ecosystems. Identifying the contribution and magnitude of the different drivers is an age-old task in plant ecology. Recently, the modelling of a spatial point process was used to identify factors driving the spatial distribution of trees at stand scales. Processes driving the coexistence of trees, however, frequently unfold within gaps and questions on the role of resource heterogeneity within-gaps have become central issues in community ecology. We tested the applicability of a spatial point process modelling approach for quantifying the effects of seed dispersal, within gap light environment, microsite heterogeneity, and competition on the generation of within gap spatial structure of small tree seedlings in a temperate, old growth, mixed-species forest. By fitting a non-homogeneous Neyman–Scott point process model, we could disentangle the role of seed dispersal from niche partitioning for within gap tree establishment and did not detect seed densities as a factor explaining the clustering of small trees. We found only a very weak indication for partitioning of within gap light among the three species and detected a clear niche segregation of Picea abies (L. Karst. on nurse logs. The other two dominating species, Abies alba Mill. and Fagus sylvatica L., did not show signs of within gap segregation.

Vapor pressures and standard molar enthalpies, entropies, and Gibbs free energies of sublimation of 2,4- and 3,4-dinitrobenzoic acids

International Nuclear Information System (INIS)

Vecchio, Stefano; Brunetti, Bruno

2009-01-01

The vapor pressures of the solid and liquid 2,4- and 3,4-dinitrobenzoic acids were determined by torsion-effusion and thermogravimetry under both isothermal and non-isothermal conditions, respectively. From the temperature dependence of vapor pressure derived by the experimental torsion-effusion and thermogravimetry data the molar enthalpies of sublimation Δ cr g H m 0 ( ) and vaporization Δ l g H m 0 ( ) were determined, respectively, at the middle of the respective temperature intervals. The melting temperatures and the molar enthalpies of fusion of these compounds were measured by d.s.c. Finally, the results obtained by all the methods proposed were corrected at the reference temperature of 298.15 K using the estimated heat capacity differences between gas and liquid for vaporization experiments and the estimated heat capacity differences between gas and solid for sublimation experiments. Therefore, the averages of the standard (p o = 0.1 MPa) molar enthalpies, entropies and Gibbs free energies of sublimation at 298.15 K, have been derived.

A Unified Point Process Probabilistic Framework to Assess Heartbeat Dynamics and Autonomic Cardiovascular Control

Directory of Open Access Journals (Sweden)

Zhe eChen

2012-02-01

Full Text Available In recent years, time-varying inhomogeneous point process models have been introduced for assessment of instantaneous heartbeat dynamics as well as specific cardiovascular control mechanisms and hemodynamics. Assessment of the model's statistics is established through the Wiener-Volterra theory and a multivariate autoregressive (AR structure. A variety of instantaneous cardiovascular metrics, such as heart rate (HR, heart rate variability (HRV, respiratory sinus arrhythmia (RSA, and baroreceptor-cardiac reflex (baroreflex sensitivity (BRS, are derived within a parametric framework and instantaneously updated with adaptive and local maximum likelihood estimation algorithms. Inclusion of second order nonlinearities, with subsequent bispectral quantification in the frequency domain, further allows for definition of instantaneous metrics of nonlinearity. We here organize a comprehensive review of the devised methods as applied to experimental recordings from healthy subjects during propofol anesthesia. Collective results reveal interesting dynamic trends across the different pharmacological interventions operated within each anesthesia session, confirming the ability of the algorithm to track important changes in cardiorespiratory elicited interactions, and pointing at our mathematical approach as a promising monitoring tool for an accurate, noninvasive assessment in clinical practice.

The Gibbs Function, Spontaneity, and Walls

Science.gov (United States)

Tykodi, R. J.

1996-05-01

For the expansion-into-the-vacuum process involving a saturated vapor, previously analyzed by Schomaker and waser and by myself, I assert that in general Delta G (composite) is undefined and that for the special case of bulbs with perfectly rigid walls Delta G (composite) is weakly positive. I show that the seemingly contradictory results of Schomaker and Waser are merely the consequences of their use of eccentric or anti-conventional terminology: they calculate the change in the Availability function for the process and call that change "Delta G (composite)".

On the thermochemical conversions of hard coal pitches in the process of raising the softening point to 358-363 K

Energy Technology Data Exchange (ETDEWEB)

Kekin, N.A.; Belkina, T.V.; Stepanenko, M.A.; Gordienko, V.G.

1983-09-01

High resolution paramagnetic resonance and infrared spectroscopy are used to obtain data on the nature of changes in hydrogen content of various groups in the substances of soluble functions in raw pitch and its thermoproducts during the process of producing binders with an increased softening point of 358-363 K. It was shown that thermal treatment of pitch during the process of raising the softening point leads to enrichment of the pitch structure with aromatic hydrogen and to reduction in the structure of the hydrogen in aliphatic bonds. The basis of these conversions is the splitting off of CH/SUB/3 groups and the formation of new structures containing CH/SUB/2 groups. (11 refs.)

Vapour pressure and excess Gibbs free energy of binary mixtures of hydrogen sulphide with ethane, propane, and n-butane at temperature of 182.33K

International Nuclear Information System (INIS)

Lobo, L.Q.; Ferreira, A.G.M.; Fonseca, I.M.A.; Senra, A.M.P.

2006-01-01

The vapour pressure of binary mixtures of hydrogen sulphide with ethane, propane, and n-butane was measured at T=182.33K covering most of the composition range. The excess Gibbs free energy of these mixtures has been derived from the measurements made. For the equimolar mixtures G m E (x 1 =0.5)=(835.5+/-5.8)J.mol -1 for (H 2 S+C 2 H 6 ) (820.1+/-2.4)J.mol -1 for (H 2 S+C 3 H 8 ), and (818.6+/-0.9)J.mol -1 for (H 2 S+n-C 4 H 10 ). The binary mixtures of H 2 S with ethane and with propane exhibit azeotropes, but that with n-butane does not

Impact of structural modification of 1,2,4-thiadiazole derivatives on thermodynamics of solubility and solvation processes in 1-octanol and n-hexane

International Nuclear Information System (INIS)

Surov, Artem O.; Bui, Cong Trinh; Volkova, Tatyana V.; Proshin, Alexey N.; Perlovich, German L.

2016-01-01

Highlights: • Solubility processes of some 1,2,4-thiadiazoles in n-hexane and 1-octanol were investigated. • Solvation processes of some 1,2,4-thiadiazoles in n-hexane and 1-octanol were studied. • Transfer processes from n-hexane to 1-octanol were evaluated. • Impact of various substituents in 1,2,4-thiadiazoles on the mentioned processes was studied. - Abstract: Influence of a structural modification on thermodynamic aspects of solubility and solvation processes of the 1,2,4-thiadiazole drug-like compounds in pharmaceutically relevant solvents n-hexane and 1-octanol was investigated. The solubility of the compounds in 1-octanol does not substantially depend on the nature and position of the substituent in the phenyl moiety. In n-hexane, however, the introduction of any substituent in the phenyl ring of the 1,2,4-thiadiazole molecule reduces the solubility in the solvent. In order to rationalize the relationships between the structure of 1,2,4-thiadiazoles and their solubility, the latter was considered in terms of two fundamental processes: sublimation and solvation. It was found that for the most of the compounds the solubility change in both solvents is a consequence of competition between the sublimation and solvation contributions, i.e. the introduction of substituents leads to growth of the sublimation Gibbs energy and increase in the solvation Gibbs energy. Thermodynamic parameters of the transfer process of the compounds from n-hexane to 1-octanol, which is a model of the blood–brain barrier (BBB), were also analyzed.

On the estimation of the spherical contact distribution Hs(y) for spatial point processes

International Nuclear Information System (INIS)

Doguwa, S.I.

1990-08-01

RIPLEY (1977, Journal of the Royal Statistical Society, B39 172-212) proposed an estimator for the spherical contact distribution H s (s), of a spatial point process observed in a bounded planar region. However, this estimator is not defined for some distances of interest, in this bounded region. A new estimator for H s (y), is proposed for use with regular grid of sampling locations. This new estimator is defined for all distances of interest. It also appears to have a smaller bias and a smaller mean squared error than the previously suggested alternative. (author). 11 refs, 4 figs, 1 tab

Finding a single point of truth

Energy Technology Data Exchange (ETDEWEB)

Sokolov, S.; Thijssen, H. [Autodesk Inc, Toronto, ON (Canada); Laslo, D.; Martin, J. [Autodesk Inc., San Rafael, CA (United States)

2010-07-01

Electric utilities collect large volumes of data at every level of their business, including SCADA, Smart Metering and Smart Grid initiatives, LIDAR and other 3D imagery surveys. Different types of database systems are used to store the information, rendering data flow within the utility business process extremely complicated. The industry trend has been to endure redundancy of data input and maintenance of multiple copies of the same data across different solution data sets. Efforts have been made to improve the situation with point to point interfaces, but with the tools and solutions available today, a single point of truth can be achieved. Consolidated and validated data can be published into a data warehouse at the right point in the process, making the information available to all other enterprise systems and solutions. This paper explained how the single point of truth spatial data warehouse and process automation services can be configured to streamline the flow of data within the utility business process using the initiate-plan-execute-close (IPEC) utility workflow model. The paper first discussed geospatial challenges faced by utilities and then presented the approach and technology aspects. It was concluded that adoption of systems and solutions that can function with and be controlled by the IPEC workflow can provide significant improvement for utility operations, particularly if those systems are coupled with the spatial data warehouse that reflects a single point of truth. 6 refs., 3 figs.

Gibbs Free-Energy Gradient along the Path of Glucose Transport through Human Glucose Transporter 3.

Science.gov (United States)

Liang, Huiyun; Bourdon, Allen K; Chen, Liao Y; Phelix, Clyde F; Perry, George

2018-06-11

Fourteen glucose transporters (GLUTs) play essential roles in human physiology by facilitating glucose diffusion across the cell membrane. Due to its central role in the energy metabolism of the central nervous system, GLUT3 has been thoroughly investigated. However, the Gibbs free-energy gradient (what drives the facilitated diffusion of glucose) has not been mapped out along the transport path. Some fundamental questions remain. Here we present a molecular dynamics study of GLUT3 embedded in a lipid bilayer to quantify the free-energy profile along the entire transport path of attracting a β-d-glucose from the interstitium to the inside of GLUT3 and, from there, releasing it to the cytoplasm by Arrhenius thermal activation. From the free-energy profile, we elucidate the unique Michaelis-Menten characteristics of GLUT3, low K M and high V MAX , specifically suitable for neurons' high and constant demand of energy from their low-glucose environments. We compute GLUT3's binding free energy for β-d-glucose to be -4.6 kcal/mol in agreement with the experimental value of -4.4 kcal/mol ( K M = 1.4 mM). We also compute the hydration energy of β-d-glucose, -18.0 kcal/mol vs the experimental data, -17.8 kcal/mol. In this, we establish a dynamics-based connection from GLUT3's crystal structure to its cellular thermodynamics with quantitative accuracy. We predict equal Arrhenius barriers for glucose uptake and efflux through GLUT3 to be tested in future experiments.

Occupation times and ergodicity breaking in biased continuous time random walks

International Nuclear Information System (INIS)

Bel, Golan; Barkai, Eli

2005-01-01

Continuous time random walk (CTRW) models are widely used to model diffusion in condensed matter. There are two classes of such models, distinguished by the convergence or divergence of the mean waiting time. Systems with finite average sojourn time are ergodic and thus Boltzmann-Gibbs statistics can be applied. We investigate the statistical properties of CTRW models with infinite average sojourn time; in particular, the occupation time probability density function is obtained. It is shown that in the non-ergodic phase the distribution of the occupation time of the particle on a given lattice point exhibits bimodal U or trimodal W shape, related to the arcsine law. The key points are as follows. (a) In a CTRW with finite or infinite mean waiting time, the distribution of the number of visits on a lattice point is determined by the probability that a member of an ensemble of particles in equilibrium occupies the lattice point. (b) The asymmetry parameter of the probability distribution function of occupation times is related to the Boltzmann probability and to the partition function. (c) The ensemble average is given by Boltzmann-Gibbs statistics for either finite or infinite mean sojourn time, when detailed balance conditions hold. (d) A non-ergodic generalization of the Boltzmann-Gibbs statistical mechanics for systems with infinite mean sojourn time is found

A SHORT-DURATION EVENT AS THE CAUSE OF DUST EJECTION FROM MAIN-BELT COMET P/2012 F5 (GIBBS)

Energy Technology Data Exchange (ETDEWEB)

Moreno, F. [Instituto de Astrofisica de Andalucia, CSIC, Glorieta de la Astronomia s/n, E-18008 Granada (Spain); Licandro, J.; Cabrera-Lavers, A., E-mail: fernando@iaa.es [Instituto de Astrofisica de Canarias, c/Via Lactea s/n, E-38200 La Laguna, Tenerife (Spain)

2012-12-10

We present observations and an interpretative model of the dust environment of the Main-Belt Comet P/2010 F5 (Gibbs). The narrow dust trails observed can be interpreted unequivocally as an impulsive event that took place around 2011 July 1 with an uncertainty of {+-}10 days, and a duration of less than a day, possibly of the order of a few hours. The best Monte Carlo dust model fits to the observed trail brightness imply ejection velocities in the range 8-10 cm s{sup -1} for particle sizes between 30 cm and 130 {mu}m. This weak dependence of velocity on size contrasts with that expected from ice sublimation and agrees with that found recently for (596) Scheila, a likely impacted asteroid. The particles seen in the trail are found to follow a power-law size distribution of index Almost-Equal-To -3.7. Assuming that the slowest particles were ejected at the escape velocity of the nucleus, its size is constrained to about 200-300 m in diameter. The total ejected dust mass is {approx}> 5 Multiplication-Sign 10{sup 8} kg, which represents approximately 4%-20% of the nucleus mass.

Seeking a fingerprint: analysis of point processes in actigraphy recording

Science.gov (United States)

Gudowska-Nowak, Ewa; Ochab, Jeremi K.; Oleś, Katarzyna; Beldzik, Ewa; Chialvo, Dante R.; Domagalik, Aleksandra; Fąfrowicz, Magdalena; Marek, Tadeusz; Nowak, Maciej A.; Ogińska, Halszka; Szwed, Jerzy; Tyburczyk, Jacek

2016-05-01

Motor activity of humans displays complex temporal fluctuations which can be characterised by scale-invariant statistics, thus demonstrating that structure and fluctuations of such kinetics remain similar over a broad range of time scales. Previous studies on humans regularly deprived of sleep or suffering from sleep disorders predicted a change in the invariant scale parameters with respect to those for healthy subjects. In this study we investigate the signal patterns from actigraphy recordings by means of characteristic measures of fractional point processes. We analyse spontaneous locomotor activity of healthy individuals recorded during a week of regular sleep and a week of chronic partial sleep deprivation. Behavioural symptoms of lack of sleep can be evaluated by analysing statistics of duration times during active and resting states, and alteration of behavioural organisation can be assessed by analysis of power laws detected in the event count distribution, distribution of waiting times between consecutive movements and detrended fluctuation analysis of recorded time series. We claim that among different measures characterising complexity of the actigraphy recordings and their variations implied by chronic sleep distress, the exponents characterising slopes of survival functions in resting states are the most effective biomarkers distinguishing between healthy and sleep-deprived groups.

Investigation of the s-process branch-point nucleus {sup 86}Rb at HIγS

Energy Technology Data Exchange (ETDEWEB)

Erbacher, Philipp; Glorius, Jan; Reifarth, Rene; Sonnabend, Kerstin [Goethe Universitaet Frankfurt am Main (Germany); Isaak, Johann; Loeher, Bastian; Savran, Deniz [GSI Helmholzzentrum fuer Schwerionenforschung (Germany); Tornow, Werner [Duke University (United States)

2016-07-01

The branch-point nucleus {sup 86}Rb determines the isotopic abundance ratio {sup 86}Sr/{sup 87}Sr in s-process nucleosynthesis. Thus, stellar parameters such as temperature and neutron density and their evolution in time as simulated by modern s-process network calculations can be constrained by a comparison of the calculated isotopic ratio with the one observed in SiC meteoritic grains. To this end, the radiative neutron-capture cross section of the unstable isotope {sup 86}Rb has to be known with sufficient accuracy. Since the short half-life of {sup 86}Rb prohibits the direct measurement, the nuclear-physics input to a calculation of the cross section has to be measured. For this reason, the γ-ray strength function of {sup 87}Rb was measured using the γ{sup 3} setup at the High Intensity γ-ray Source facility at TUNL in Durham, USA. First experimental results are presented.

The neutron capture cross section of the ${s}$-process branch point isotope $^{63}$Ni

CERN Multimedia

Neutron capture nucleosynthesis in massive stars plays an important role in Galactic chemical evolution as well as for the analysis of abundance patterns in very old metal-poor halo stars. The so-called weak ${s}$-process component, which is responsible for most of the ${s}$ abundances between Fe and Sr, turned out to be very sensitive to the stellar neutron capture cross sections in this mass region and, in particular, of isotopes near the seed distribution around Fe. In this context, the unstable isotope $^{63}$Ni is of particular interest because it represents the first branching point in the reaction path of the ${s}$-process. We propose to measure this cross section at n_TOF from thermal energies up to 500 keV, covering the entire range of astrophysical interest. These data are needed to replace uncertain theoretical predicitons by first experimental information to understand the consequences of the $^{63}$Ni branching for the abundance pattern of the subsequent isotopes, especially for $^{63}$Cu and $^{...

Design and fabrication of a diffractive beam splitter for dual-wavelength and concurrent irradiation of process points.

Science.gov (United States)

Amako, Jun; Shinozaki, Yu

2016-07-11

We report on a dual-wavelength diffractive beam splitter designed for use in parallel laser processing. This novel optical element generates two beam arrays of different wavelengths and allows their overlap at the process points on a workpiece. To design the deep surface-relief profile of a splitter using a simulated annealing algorithm, we introduce a heuristic but practical scheme to determine the maximum depth and the number of quantization levels. The designed corrugations were fabricated in a photoresist by maskless grayscale exposure using a high-resolution spatial light modulator. We characterized the photoresist splitter, thereby validating the proposed beam-splitting concept.

Maxwell’s equal area law for Lovelock thermodynamics

Science.gov (United States)

Xu, Hao; Xu, Zhen-Ming

We present the construction of Maxwell’s equal area law for the Guass-Bonnet AdS black holes in d = 5, 6 and third-order Lovelock AdS black holes in d = 7, 8. The equal area law can be used to find the number and location of the points of intersection in the plots of Gibbs free energy, so that we can get the thermodynamically preferred solution which corresponds to the first-order phase transition. We obtain the radius of the small and large black holes in the phase transition which share the same Gibbs free energy. The case with two critical points is explored in much more details. The latent heat is also studied.

Phase relations and gibbs energies in the system Mn-Rh-O

Science.gov (United States)

Jacob, K. T.; Sriram, M. V.

1994-07-01

Phase relations in the system Mn-Rh-O are established at 1273 K by equilibrating different compositions either in evacuated quartz ampules or in pure oxygen at a pressure of 1.01 × 105 Pa. The quenched samples are examined by optical microscopy, X-ray diffraction, and energy-dispersive X-ray analysis (EDAX). The alloys and intermetallics in the binary Mn-Rh system are found to be in equilibrium with MnO. There is only one ternary compound, MnRh2O4, with normal spinel structure in the system. The compound Mn3O4 has a tetragonal structure at 1273 K. A solid solution is formed between MnRh2O4 and Mn3O4. The solid solution has the cubic structure over a large range of composition and coexists with metallic rhodium. The partial pressure of oxygen corresponding to this two-phase equilibrium is measured as a function of the composition of the spinel solid solution and temperature. A new solid-state cell, with three separate electrode compartments, is designed to measure accurately the chemical potential of oxygen in the two-phase mixture, Rh + Mn3-2xRh2xO4, which has 1 degree of freedom at constant temperature. From the electromotive force (emf), thermodynamic mixing properties of the Mn3O4-MnRh2O4 solid solution and Gibbs energy of formation of MnRh2O4 are deduced. The activities exhibit negative deviations from Raoult’s law for most of the composition range, except near Mn3O4, where a two-phase region exists. In the cubic phase, the entropy of mixing of the two Rh3+ and Mn3+ ions on the octahedral site of the spinel is ideal, and the enthalpy of mixing is positive and symmetric with respect to composition. For the formation of the spinel (sp) from component oxides with rock salt (rs) and orthorhombic (orth) structures according to the reaction, MnO (rs) + Rh2O3 (orth) → MnRh2O4 (sp), ΔG° = -49,680 + 1.56T (±500) J mol-1 The oxygen potentials corresponding to MnO + Mn3O4 and Rh + Rh2O3 equilibria are also obtained from potentiometric measurements on galvanic

Some probabilistic properties of fractional point processes

KAUST Repository

Garra, Roberto; Orsingher, Enzo; Scavino, Marco

2017-01-01

P{T-k(alpha) < infinity} are explicitly obtained and analyzed. The processes N-f (t) are time-changed Poisson processes N( H-f (t)) with subordinators H-f (t) and here we study N(Sigma H-n(j= 1)f j (t)) and obtain probabilistic features

The (n, $\\gamma$) reaction in the s-process branching point $^{59}$Ni

CERN Multimedia

We propose to measure the $^{59}$Ni(n,$\\gamma$)$^{56}$Fe cross section at the neutron time of flight (n TOF) facility with a dedicated chemical vapor deposition (CVD) diamond detector. The (n, ) reaction in the radioactive $^{59}$Ni is of relevance in nuclear astrophysics as it can be seen as a rst branching point in the astrophysical s-process. Its relevance in nuclear technology is especially related to material embrittlement in stainless steel. There is a strong discrepancy between available experimental data and the evaluated nuclear data les for this isotope. The aim of the measurement is to clarify this disagreement. The clear energy separation of the reaction products of neutron induced reactions in $^{59}$Ni makes it a very suitable candidate for a rst cross section measurement with the CVD diamond detector, which should serve in the future for similar measurements at n_TOF.

Nuclear structure and weak rates of heavy waiting point nuclei under rp-process conditions

Science.gov (United States)

Nabi, Jameel-Un; Böyükata, Mahmut

2017-01-01

The structure and the weak interaction mediated rates of the heavy waiting point (WP) nuclei 80Zr, 84Mo, 88Ru, 92Pd and 96Cd along N = Z line were studied within the interacting boson model-1 (IBM-1) and the proton-neutron quasi-particle random phase approximation (pn-QRPA). The energy levels of the N = Z WP nuclei were calculated by fitting the essential parameters of IBM-1 Hamiltonian and their geometric shapes were predicted by plotting potential energy surfaces (PESs). Half-lives, continuum electron capture rates, positron decay rates, electron capture cross sections of WP nuclei, energy rates of β-delayed protons and their emission probabilities were later calculated using the pn-QRPA. The calculated Gamow-Teller strength distributions were compared with previous calculation. We present positron decay and continuum electron capture rates on these WP nuclei under rp-process conditions using the same model. For the rp-process conditions, the calculated total weak rates are twice the Skyrme HF+BCS+QRPA rates for 80Zr. For remaining nuclei the two calculations compare well. The electron capture rates are significant and compete well with the corresponding positron decay rates under rp-process conditions. The finding of the present study supports that electron capture rates form an integral part of the weak rates under rp-process conditions and has an important role for the nuclear model calculations.

On statistical analysis of compound point process

Czech Academy of Sciences Publication Activity Database

Volf, Petr

2006-01-01

Roč. 35, 2-3 (2006), s. 389-396 ISSN 1026-597X R&D Projects: GA ČR(CZ) GA402/04/1294 Institutional research plan: CEZ:AV0Z10750506 Keywords : counting process * compound process * hazard function * Cox -model Subject RIV: BB - Applied Statistics, Operational Research

Can the Hazard Assessment and Critical Control Points (HACCP) system be used to design process-based hygiene concepts?

Science.gov (United States)

Hübner, N-O; Fleßa, S; Haak, J; Wilke, F; Hübner, C; Dahms, C; Hoffmann, W; Kramer, A

2011-01-01

Recently, the HACCP (Hazard Analysis and Critical Control Points) concept was proposed as possible way to implement process-based hygiene concepts in clinical practice, but the extent to which this food safety concept can be transferred into the health care setting is unclear. We therefore discuss possible ways for a translation of the principles of the HACCP for health care settings. While a direct implementation of food processing concepts into health care is not very likely to be feasible and will probably not readily yield the intended results, the underlying principles of process-orientation, in-process safety control and hazard analysis based counter measures are transferable to clinical settings. In model projects the proposed concepts should be implemented, monitored, and evaluated under real world conditions.

Beginning SharePoint 2010 Development

CERN Document Server

Fox, Steve

2010-01-01

Discover how to take advantage of the many new features in SharePoint 2010. SharePoint provides content management (enterprise content management, Web content management, records management, and more), workflow, and social media features, and the new version boasts enhanced capabilities. This introductory-level book walks you through the process of learning, developing, and deploying SharePoint 2010 solutions. You'll leverage your existing skills and tools to grasp the fundamental programming concepts and practices of SharePoint 2010. The author clearly explains how to develop your first appli

Critical point analysis of phase envelope diagram

International Nuclear Information System (INIS)

Soetikno, Darmadi; Siagian, Ucok W. R.; Kusdiantara, Rudy; Puspita, Dila; Sidarto, Kuntjoro A.; Soewono, Edy; Gunawan, Agus Y.

2014-01-01

Phase diagram or phase envelope is a relation between temperature and pressure that shows the condition of equilibria between the different phases of chemical compounds, mixture of compounds, and solutions. Phase diagram is an important issue in chemical thermodynamics and hydrocarbon reservoir. It is very useful for process simulation, hydrocarbon reactor design, and petroleum engineering studies. It is constructed from the bubble line, dew line, and critical point. Bubble line and dew line are composed of bubble points and dew points, respectively. Bubble point is the first point at which the gas is formed when a liquid is heated. Meanwhile, dew point is the first point where the liquid is formed when the gas is cooled. Critical point is the point where all of the properties of gases and liquids are equal, such as temperature, pressure, amount of substance, and others. Critical point is very useful in fuel processing and dissolution of certain chemicals. Here in this paper, we will show the critical point analytically. Then, it will be compared with numerical calculations of Peng-Robinson equation by using Newton-Raphson method. As case studies, several hydrocarbon mixtures are simulated using by Matlab

Critical point analysis of phase envelope diagram

Energy Technology Data Exchange (ETDEWEB)

Soetikno, Darmadi; Siagian, Ucok W. R. [Department of Petroleum Engineering, Institut Teknologi Bandung, Jl. Ganesha 10, Bandung 40132 (Indonesia); Kusdiantara, Rudy, E-mail: rkusdiantara@s.itb.ac.id; Puspita, Dila, E-mail: rkusdiantara@s.itb.ac.id; Sidarto, Kuntjoro A., E-mail: rkusdiantara@s.itb.ac.id; Soewono, Edy; Gunawan, Agus Y. [Department of Mathematics, Institut Teknologi Bandung, Jl. Ganesha 10, Bandung 40132 (Indonesia)

2014-03-24

Phase diagram or phase envelope is a relation between temperature and pressure that shows the condition of equilibria between the different phases of chemical compounds, mixture of compounds, and solutions. Phase diagram is an important issue in chemical thermodynamics and hydrocarbon reservoir. It is very useful for process simulation, hydrocarbon reactor design, and petroleum engineering studies. It is constructed from the bubble line, dew line, and critical point. Bubble line and dew line are composed of bubble points and dew points, respectively. Bubble point is the first point at which the gas is formed when a liquid is heated. Meanwhile, dew point is the first point where the liquid is formed when the gas is cooled. Critical point is the point where all of the properties of gases and liquids are equal, such as temperature, pressure, amount of substance, and others. Critical point is very useful in fuel processing and dissolution of certain chemicals. Here in this paper, we will show the critical point analytically. Then, it will be compared with numerical calculations of Peng-Robinson equation by using Newton-Raphson method. As case studies, several hydrocarbon mixtures are simulated using by Matlab.

Fabrication of nanocrystalline alloys Cu–Cr–Mo super satured solid solution by mechanical alloying

Energy Technology Data Exchange (ETDEWEB)

Aguilar, C., E-mail: claudio.aguilar@usm.cl [Departamento de Ingeniería Metalúrgica y Materiales, Universidad Técnica Federico Santa María, Av. España 1680, Valparaíso (Chile); Guzmán, D. [Departamento de Ingeniería en Metalurgia, Facultad de Ingeniería, Universidad de Atacama y Centro Regional de Investigación y Desarrollo Sustentable de Atacama (CRIDESAT), Av. Copayapu 485, Copiapó (Chile); Castro, F.; Martínez, V.; Cuevas, F. de las [Centro de Estudios e Investigaciones Técnicas de Gipuzkoa, Paseo de Manuel Lardizábal, N° 15, 20018 San Sebastián (Spain); Lascano, S. [Departamento de Ingeniería Mecánica, Universidad Técnica Federico Santa María, Av. España 1680, Valparaíso (Chile); Muthiah, T. [Departamento de Ingeniería Metalúrgica y Materiales, Universidad Técnica Federico Santa María, Av. España 1680, Valparaíso (Chile)

2014-08-01

This work discusses the extension of solid solubility of Cr and Mo in Cu processed by mechanical alloying. Three alloys processed, Cu–5Cr–5Mo, Cu–10Cr–10Mo and Cu–15Cr–15Mo (weight%) using a SPEX mill. Gibbs free energy of mixing values 10, 15 and 20 kJ mol{sup −1} were calculated for these three alloys respectively by using the Miedema's model. The crystallite size decreases and dislocation density increases when the milling time increases, so Gibbs free energy storage in powders increases by the presence of crystalline defects. The energy produced by crystallite boundaries and strain dislocations were estimated and compared with Gibbs free energy of mixing values. The energy storage values by the presence of crystalline defects were higher than Gibbs free energy of mixing at 120 h for Cu–5Cr–5Mo, 130 h for Cu–10Cr–10Mo and 150 h for Cu–15Cr–15Mo. During milling, crystalline defects are produced that increases the Gibbs free energy storage and thus the Gibbs free energy curves are moved upwards and hence the solubility limit changes. Therefore, the three alloys form solid solutions after these milling time, which are supported with the XRD results. - Highlights: • Extension of solid solution Cr and Mo in Cu achieved by mechanical alloying. • X-ray characterization of Cu–Cr–Mo system processed by mechanical alloying. • Thermodynamics analysis of formation of solid solution of the Cu–Cr–Mo system.

Predicting seizures in untreated temporal lobe epilepsy using point-process nonlinear models of heartbeat dynamics.

Science.gov (United States)

Valenza, G; Romigi, A; Citi, L; Placidi, F; Izzi, F; Albanese, M; Scilingo, E P; Marciani, M G; Duggento, A; Guerrisi, M; Toschi, N; Barbieri, R

2016-08-01

Symptoms of temporal lobe epilepsy (TLE) are frequently associated with autonomic dysregulation, whose underlying biological processes are thought to strongly contribute to sudden unexpected death in epilepsy (SUDEP). While abnormal cardiovascular patterns commonly occur during ictal events, putative patterns of autonomic cardiac effects during pre-ictal (PRE) periods (i.e. periods preceding seizures) are still unknown. In this study, we investigated TLE-related heart rate variability (HRV) through instantaneous, nonlinear estimates of cardiovascular oscillations during inter-ictal (INT) and PRE periods. ECG recordings from 12 patients with TLE were processed to extract standard HRV indices, as well as indices of instantaneous HRV complexity (dominant Lyapunov exponent and entropy) and higher-order statistics (bispectra) obtained through definition of inhomogeneous point-process nonlinear models, employing Volterra-Laguerre expansions of linear, quadratic, and cubic kernels. Experimental results demonstrate that the best INT vs. PRE classification performance (balanced accuracy: 73.91%) was achieved only when retaining the time-varying, nonlinear, and non-stationary structure of heartbeat dynamical features. The proposed approach opens novel important avenues in predicting ictal events using information gathered from cardiovascular signals exclusively.

Observation and investigation of a dynamic inflection point in current-voltage curves for roll-to-roll processed polymer photovoltaics

DEFF Research Database (Denmark)

Medford, Andrew James; Lilliedal, Mathilde Raad

2010-01-01

Inflection point behaviour is often observed in the current-voltage (IV) curve of polymer and organic solar cells. This phenomenon is examined in the context of flexible roll-to-roll (R2R) processed polymer solar cells in a large series of devices with a layer structure of: PET-ITO-ZnO-P3HT...... of this “photo-annealing” behaviour was further investigated by studying the effects of several key factors: temperature, illumination, and atmosphere. The results consistently showed that the inflection point is a dynamic interface phenomenon which can be removed under specific conditions. Subsequently...

On the diffusion process of irradiation-induced point defects in the stress field of a moving dislocation

International Nuclear Information System (INIS)

Steinbach, E.

1987-01-01

The cellular model of a dislocation is used for an investigation of the time-dependent diffusion process of irradiation-induced point defects interacting with the stress field of a moving dislocation. An analytic solution is given taking into account the elastic interaction due to the first-order size effect and the stress-induced interaction, the kinematic interaction due to the dislocation motion as well as the presence of secondary neutral sinks. The results for the space and time-dependent point defect concentration, represented in terms of Mathieu-Bessel and Mathieu-Hankel functions, emphasize the influence of the parameters which have been taken into consideration. Proceeding from these solutions, formulae for the diffusion flux reaching unit length of the dislocation, which plays an important role with regard to void swelling and irradiation-induced creep, are derived

Process of extracting oil from stones and sands. [heating below cracking temperature and above boiling point of oil

Energy Technology Data Exchange (ETDEWEB)

Bergfeld, K

1935-03-09

A process of extracting oil from stones or sands bearing oils is characterized by the stones and sands being heated in a suitable furnace to a temperature below that of cracking and preferably slightly higher than the boiling-point of the oils. The oily vapors are removed from the treating chamber by means of flushing gas.

Radial Basis Functional Model of Multi-Point Dieless Forming Process for Springback Reduction and Compensation

Directory of Open Access Journals (Sweden)

Misganaw Abebe

2017-11-01

Full Text Available Springback in multi-point dieless forming (MDF is a common problem because of the small deformation and blank holder free boundary condition. Numerical simulations are widely used in sheet metal forming to predict the springback. However, the computational time in using the numerical tools is time costly to find the optimal process parameters value. This study proposes radial basis function (RBF to replace the numerical simulation model by using statistical analyses that are based on a design of experiment (DOE. Punch holding time, blank thickness, and curvature radius are chosen as effective process parameters for determining the springback. The Latin hypercube DOE method facilitates statistical analyses and the extraction of a prediction model in the experimental process parameter domain. Finite element (FE simulation model is conducted in the ABAQUS commercial software to generate the springback responses of the training and testing samples. The genetic algorithm is applied to find the optimal value for reducing and compensating the induced springback for the different blank thicknesses using the developed RBF prediction model. Finally, the RBF numerical result is verified by comparing with the FE simulation result of the optimal process parameters and both results show that the springback is almost negligible from the target shape.

Pseudo-dynamic source modelling with 1-point and 2-point statistics of earthquake source parameters

KAUST Repository

Song, S. G.

2013-12-24

Ground motion prediction is an essential element in seismic hazard and risk analysis. Empirical ground motion prediction approaches have been widely used in the community, but efficient simulation-based ground motion prediction methods are needed to complement empirical approaches, especially in the regions with limited data constraints. Recently, dynamic rupture modelling has been successfully adopted in physics-based source and ground motion modelling, but it is still computationally demanding and many input parameters are not well constrained by observational data. Pseudo-dynamic source modelling keeps the form of kinematic modelling with its computational efficiency, but also tries to emulate the physics of source process. In this paper, we develop a statistical framework that governs the finite-fault rupture process with 1-point and 2-point statistics of source parameters in order to quantify the variability of finite source models for future scenario events. We test this method by extracting 1-point and 2-point statistics from dynamically derived source models and simulating a number of rupture scenarios, given target 1-point and 2-point statistics. We propose a new rupture model generator for stochastic source modelling with the covariance matrix constructed from target 2-point statistics, that is, auto- and cross-correlations. Our sensitivity analysis of near-source ground motions to 1-point and 2-point statistics of source parameters provides insights into relations between statistical rupture properties and ground motions. We observe that larger standard deviation and stronger correlation produce stronger peak ground motions in general. The proposed new source modelling approach will contribute to understanding the effect of earthquake source on near-source ground motion characteristics in a more quantitative and systematic way.

Moving window segmentation framework for point clouds

NARCIS (Netherlands)

Sithole, G.; Gorte, B.G.H.

2012-01-01

As lidar point clouds become larger streamed processing becomes more attractive. This paper presents a framework for the streamed segmentation of point clouds with the intention of segmenting unstructured point clouds in real-time. The framework is composed of two main components. The first

Smooth random change point models.

Science.gov (United States)

van den Hout, Ardo; Muniz-Terrera, Graciela; Matthews, Fiona E

2011-03-15

Change point models are used to describe processes over time that show a change in direction. An example of such a process is cognitive ability, where a decline a few years before death is sometimes observed. A broken-stick model consists of two linear parts and a breakpoint where the two lines intersect. Alternatively, models can be formulated that imply a smooth change between the two linear parts. Change point models can be extended by adding random effects to account for variability between subjects. A new smooth change point model is introduced and examples are presented that show how change point models can be estimated using functions in R for mixed-effects models. The Bayesian inference using WinBUGS is also discussed. The methods are illustrated using data from a population-based longitudinal study of ageing, the Cambridge City over 75 Cohort Study. The aim is to identify how many years before death individuals experience a change in the rate of decline of their cognitive ability. Copyright © 2010 John Wiley & Sons, Ltd.

Estimation hydrophilic-lipophilic balance number of surfactants

Energy Technology Data Exchange (ETDEWEB)

Pawignya, Harsa, E-mail: harsa-paw@yahoo.co.id [Chemical Engineering Department Diponegoro University (Indonesia); Chemical Engineering Departement University of Pembangunan Nasional Yogyakarta (Indonesia); Prasetyaningrum, Aji, E-mail: ajiprasetyaningrum@gmail.com; Kusworo, Tutuk D.; Pramudono, Bambang, E-mail: Pramudono2004@yahoo.com [Chemical Engineering Department Diponegoro University (Indonesia); Dyartanti, Endah R. [Chemical Engineering Department Diponegoro University (Indonesia); Chemical Enginering Departement Sebelas Maret University (Indonesia)

2016-02-08

Any type of surfactant has a hydrophilic-lipophilic balance number (HLB number) of different. There are several methods for determining the HLB number, with ohysical properties of surfactant (solubility cloud point and interfacial tension), CMC methods and by thermodynamics properties (Free energy Gibbs). This paper proposes to determined HLB numbers from interfelation methods. The result of study indicated that the CMC method described by Hair and Moulik espesially for nonionic surfactant. The application of exess Gibbs free energy and by implication activity coefficient provides the ability to predict the behavior of surfactants in multi component mixtures of different concentration. Determination of HLB number by solubility and cloud point parameter is spesific for anionic and nonionic surfactant but this methods not available for cationic surfactants.

Comparison of Clothing Cultures from the View Point of Funeral Procession

OpenAIRE

増田, 美子; 大枝, 近子; 梅谷, 知世; 杉本, 浄; 内村, 理奈

2011-01-01

This study was for its object to research for the look in the funeral ceremony and make the point of the different and common point between the respective cultural spheres of the Buddhism,Hinduism, Islam and Christianity clearly. In the year 21, we tried to grasp the reality of costumes of funeral courtesy in modern times and present-day. And it became clear in the result, Japan, the Buddhist cultural sphere, China and Taiwan, the Buddhism, the Confucianism and the Taoism intermingled cultura...

Exploring Ultrahigh Magnetic Field Processing of Materials for Developing Customized Microstructures and Enhanced Performance

Energy Technology Data Exchange (ETDEWEB)

Ludtka, GERALD M.

2005-03-31

Thermodynamic calculations based on Gibbs free energy in the magnetization-magnetic intensity-temperature (M-H-T) magnetic equation of state space demonstrate that significantly different phase equilibria may result for those material systems where the product and parent phases exhibit different magnetization responses. These calculations show that the Gibbs free energy is changed by a factor equal to -MdH, where M and H are the magnetization and applied field strength, respectively. Magnetic field processing is directly applicable to a multitude of alloys and compounds for dramatically influencing phase stability and phase transformations. This ability to selectively control microstructural stability and alter transformation kinetics through appropriate selection of the magnetic field strength promises to provide a very robust mechanism for developing and tailoring enhanced microstructures (and even nanostructures through accelerated kinetics) with superior properties for a broad spectrum of material applications. For this Industrial Materials for the Future (IMF) Advanced Materials for the Future project, ferrous alloys were studied initially since this alloy family exhibits ferromagnetism over part of its temperature range of stability and therefore would demonstrate the maximum impact of this novel processing mechanism. Additionally, with these ferrous alloys, the high-temperature parent phase, austenite, exhibits a significantly different magnetization response from the potential product phases, ferrite plus carbide or martensite; and therefore, the solid-state transformation behavior of these alloys will be dramatically influenced by the presence of ultrahigh magnetic fields. Finally, a thermodynamic calculation capability (within ThermoCalc for example) was developed during this project to enable parametric studies to be performed to predict the magnitude of the influence of magnetic processing variables on the phase stability (phase diagrams) in

TOPOLOGY OF RANDOM POINTS YOGESHWARAN. D.

Indian Academy of Sciences (India)

Balls grow at unit rate centred at the points of the point cloud/ process. ... Idea of persistence : Keep track of births and deaths of topological features. ..... holes, Betti numbers, etc., one will be more interested in the distribution of such objects on ...

Floating-to-Fixed-Point Conversion for Digital Signal Processors

Directory of Open Access Journals (Sweden)

Menard Daniel

2006-01-01

Full Text Available Digital signal processing applications are specified with floating-point data types but they are usually implemented in embedded systems with fixed-point arithmetic to minimise cost and power consumption. Thus, methodologies which establish automatically the fixed-point specification are required to reduce the application time-to-market. In this paper, a new methodology for the floating-to-fixed point conversion is proposed for software implementations. The aim of our approach is to determine the fixed-point specification which minimises the code execution time for a given accuracy constraint. Compared to previous methodologies, our approach takes into account the DSP architecture to optimise the fixed-point formats and the floating-to-fixed-point conversion process is coupled with the code generation process. The fixed-point data types and the position of the scaling operations are optimised to reduce the code execution time. To evaluate the fixed-point computation accuracy, an analytical approach is used to reduce the optimisation time compared to the existing methods based on simulation. The methodology stages are described and several experiment results are presented to underline the efficiency of this approach.

Floating-to-Fixed-Point Conversion for Digital Signal Processors

Science.gov (United States)

Menard, Daniel; Chillet, Daniel; Sentieys, Olivier

2006-12-01

Digital signal processing applications are specified with floating-point data types but they are usually implemented in embedded systems with fixed-point arithmetic to minimise cost and power consumption. Thus, methodologies which establish automatically the fixed-point specification are required to reduce the application time-to-market. In this paper, a new methodology for the floating-to-fixed point conversion is proposed for software implementations. The aim of our approach is to determine the fixed-point specification which minimises the code execution time for a given accuracy constraint. Compared to previous methodologies, our approach takes into account the DSP architecture to optimise the fixed-point formats and the floating-to-fixed-point conversion process is coupled with the code generation process. The fixed-point data types and the position of the scaling operations are optimised to reduce the code execution time. To evaluate the fixed-point computation accuracy, an analytical approach is used to reduce the optimisation time compared to the existing methods based on simulation. The methodology stages are described and several experiment results are presented to underline the efficiency of this approach.

Continuous quality improvement process pin-points delays, speeds STEMI patients to life-saving treatment.

Science.gov (United States)

2011-11-01

Using a multidisciplinary team approach, the University of California, San Diego, Health System has been able to significantly reduce average door-to-balloon angioplasty times for patients with the most severe form of heart attacks, beating national recommendations by more than a third. The multidisciplinary team meets monthly to review all cases involving patients with ST-segment-elevation myocardial infarctions (STEMI) to see where process improvements can be made. Using this continuous quality improvement (CQI) process, the health system has reduced average door-to-balloon times from 120 minutes to less than 60 minutes, and administrators are now aiming for further progress. Among the improvements instituted by the multidisciplinary team are the implementation of a "greeter" with enough clinical expertise to quickly pick up on potential STEMI heart attacks as soon as patients walk into the ED, and the purchase of an electrocardiogram (EKG) machine so that evaluations can be done in the triage area. ED staff have prepared "STEMI" packets, including items such as special IV tubing and disposable leads, so that patients headed for the catheterization laboratory are prepared to undergo the procedure soon after arrival. All the clocks and devices used in the ED are synchronized so that analysts can later review how long it took to complete each step of the care process. Points of delay can then be targeted for improvement.

Plasma gasification process: Modeling, simulation and comparison with conventional air gasification

International Nuclear Information System (INIS)

Janajreh, Isam; Raza, Syed Shabbar; Valmundsson, Arnar Snaer

2013-01-01

Highlights: ► Plasma/conventional gasification are modeled via Gibbs energy minimization. ► The model is applied to wide range of feedstock, tire, biomass, coal, oil shale. ► Plasma gasification show high efficiency for tire waste and coal. ► Efficiency is around 42% for plasma and 72% for conventional gasification. ► Lower plasma gasification efficiency justifies hazardous waste energy recovery. - Abstract: In this study, two methods of gasification are developed for the gasification of various feedstock, these are plasma gasification and conventional air gasification. The two methods are based on non-stoichiometric Gibbs energy minimization approach. The model takes into account the different type of feedstocks, which are analyzed at waste to energy lab at Masdar Institute, oxidizer used along with the plasma energy input and accurately evaluates the syngas composition. The developed model is applied for several types of feedstock, i.e. waste tire material, coal, plywood, pine needles, oil shale, and municipal solid waste (MSW), algae, treated/untreated wood, instigating air/steam as the plasma gas and only air as oxidizer for conventional gasification. The results of plasma gasification and conventional air gasification are calculated on the bases of product gas composition and the process efficiency. Results of plasma gasification shows that high gasification efficiency is achievable using both tire waste material and coal, also, the second law efficiency is calculated for plasma gasification that shows a relative high efficiency for tire and coal as compare to other feedstock. The average process efficiency for plasma gasification is calculated to be around 42%. On other hand the result of conventional gasification shows an average efficiency of 72%. The low efficiency of plasma gasification suggest that if only the disposal of hazard waste material is considered then plasma gasification can be a viable option to recover energy.

Process for structural geologic analysis of topography and point data

Science.gov (United States)

Eliason, Jay R.; Eliason, Valerie L. C.

1987-01-01

A quantitative method of geologic structural analysis of digital terrain data is described for implementation on a computer. Assuming selected valley segments are controlled by the underlying geologic structure, topographic lows in the terrain data, defining valley bottoms, are detected, filtered and accumulated into a series line segments defining contiguous valleys. The line segments are then vectorized to produce vector segments, defining valley segments, which may be indicative of the underlying geologic structure. Coplanar analysis is performed on vector segment pairs to determine which vectors produce planes which represent underlying geologic structure. Point data such as fracture phenomena which can be related to fracture planes in 3-dimensional space can be analyzed to define common plane orientation and locations. The vectors, points, and planes are displayed in various formats for interpretation.

Einstein's statistical mechanics

Energy Technology Data Exchange (ETDEWEB)

Baracca, A; Rechtman S, R

1985-08-01

The foundation of equilibrium classical statistical mechanics were laid down in 1902 independently by Gibbs and Einstein. The latter's contribution, developed in three papers published between 1902 and 1904, is usually forgotten and when not, rapidly dismissed as equivalent to Gibb's. We review in detail Einstein's ideas on the foundations of statistical mechanics and show that they constitute the beginning of a research program that led Einstein to quantum theory. We also show how these ideas may be used as a starting point for an introductory course on the subject.

Einstein's statistical mechanics

International Nuclear Information System (INIS)

Baracca, A.; Rechtman S, R.

1985-01-01

The foundation of equilibrium classical statistical mechanics were laid down in 1902 independently by Gibbs and Einstein. The latter's contribution, developed in three papers published between 1902 and 1904, is usually forgotten and when not, rapidly dismissed as equivalent to Gibb's. We review in detail Einstein's ideas on the foundations of statistical mechanics and show that they constitute the beginning of a research program that led Einstein to quantum theory. We also show how these ideas may be used as a starting point for an introductory course on the subject. (author)

Concerning the acid dew point in waste gases from combustion processes

Energy Technology Data Exchange (ETDEWEB)

Knoche, K.F.; Deutz, W.; Hein, K.; Derichs, W.

1986-09-01

The paper discusses the problems associated with the measurement of acid dew point and of sulphuric acid-(say SO/sub 3/-)concentrations in the flue gas from brown coal-fired boiler plants. The sulphuric acid content in brown coal flue gas has been measured at 0.5 to 3 vpm in SO/sub 2/ concentrations of 200 to 800 vpm. Using a conditional equation, the derivation of which from new formulae for phase stability is described in the paper, an acid dew point temperature of 115 to 125/sup 0/C is produced.

Development and Application of SKSSIM Simulation Software for the Oxygen Bottom Blown Copper Smelting Process

Directory of Open Access Journals (Sweden)

Qinmeng Wang

2017-10-01

Full Text Available The oxygen bottom blown copper smelting process (SKS process is a newly developed intense smelting process, which has been widely applied to copper production in China. A multiphase equilibrium model for the SKS process was established based on its mechanism characteristics and the principle of Gibbs energy minimization, and an efficient simulation software—SKSSIM (SKS Simulation—was developed based on the model. Industrial data from the SKS process were used to compare with the calculated data from the SKSSIM software. The calculated data on the compositions of slag and matte as well as the distribution ratios of minor elements (such as Pb, Zn, As, Sb and Bi among the slags, mattes and off-gases were in good agreement with the actual plant data. Accordingly, the SKSSIM simulation software has the potentail to be used for the prediction of smelting production and for optimizing the operating parameters of the SKS process.

Plasmon point spread functions: How do we model plasmon-mediated emission processes?

Science.gov (United States)

Willets, Katherine A.

2014-02-01

A major challenge with studying plasmon-mediated emission events is the small size of plasmonic nanoparticles relative to the wavelength of light. Objects smaller than roughly half the wavelength of light will appear as diffraction-limited spots in far-field optical images, presenting a significant experimental challenge for studying plasmonic processes on the nanoscale. Super-resolution imaging has recently been applied to plasmonic nanosystems and allows plasmon-mediated emission to be resolved on the order of ˜5 nm. In super-resolution imaging, a diffraction-limited spot is fit to some model function in order to calculate the position of the emission centroid, which represents the location of the emitter. However, the accuracy of the centroid position strongly depends on how well the fitting function describes the data. This Perspective discusses the commonly used two-dimensional Gaussian fitting function applied to super-resolution imaging of plasmon-mediated emission, then introduces an alternative model based on dipole point spread functions. The two fitting models are compared and contrasted for super-resolution imaging of nanoparticle scattering/luminescence, surface-enhanced Raman scattering, and surface-enhanced fluorescence.

Food safety and nutritional quality for the prevention of non communicable diseases: the Nutrient, hazard Analysis and Critical Control Point process (NACCP).

Science.gov (United States)

Di Renzo, Laura; Colica, Carmen; Carraro, Alberto; Cenci Goga, Beniamino; Marsella, Luigi Tonino; Botta, Roberto; Colombo, Maria Laura; Gratteri, Santo; Chang, Ting Fa Margherita; Droli, Maurizio; Sarlo, Francesca; De Lorenzo, Antonino

2015-04-23

The important role of food and nutrition in public health is being increasingly recognized as crucial for its potential impact on health-related quality of life and the economy, both at the societal and individual levels. The prevalence of non-communicable diseases calls for a reformulation of our view of food. The Hazard Analysis and Critical Control Point (HACCP) system, first implemented in the EU with the Directive 43/93/CEE, later replaced by Regulation CE 178/2002 and Regulation CE 852/2004, is the internationally agreed approach for food safety control. Our aim is to develop a new procedure for the assessment of the Nutrient, hazard Analysis and Critical Control Point (NACCP) process, for total quality management (TMQ), and optimize nutritional levels. NACCP was based on four general principles: i) guarantee of health maintenance; ii) evaluate and assure the nutritional quality of food and TMQ; iii) give correct information to the consumers; iv) ensure an ethical profit. There are three stages for the application of the NACCP process: 1) application of NACCP for quality principles; 2) application of NACCP for health principals; 3) implementation of the NACCP process. The actions are: 1) identification of nutritional markers, which must remain intact throughout the food supply chain; 2) identification of critical control points which must monitored in order to minimize the likelihood of a reduction in quality; 3) establishment of critical limits to maintain adequate levels of nutrient; 4) establishment, and implementation of effective monitoring procedures of critical control points; 5) establishment of corrective actions; 6) identification of metabolic biomarkers; 7) evaluation of the effects of food intake, through the application of specific clinical trials; 8) establishment of procedures for consumer information; 9) implementation of the Health claim Regulation EU 1924/2006; 10) starting a training program. We calculate the risk assessment as follows

Monte Carlo molecular simulation of phase-coexistence for oil production and processing

KAUST Repository

Li, Jun

2011-01-01

The Gibbs-NVT ensemble Monte Carlo method is used to simulate the liquid-vapor coexistence diagram and the simulation results of methane agree well with the experimental data in a wide range of temperatures. For systems with two components, the Gibbs-NPT ensemble Monte Carlo method is employed in the simulation while the mole fraction of each component in each phase is modeled as a Leonard-Jones fluid. As the results of Monte Carlo simulations usually contain huge statistical error, the blocking method is used to estimate the variance of the simulation results. Additionally, in order to improve the simulation efficiency, the step sizes of different trial moves is adjusted automatically so that their acceptance probabilities can approach to the preset values.

Point cloud data management (extended abstract)

NARCIS (Netherlands)

Van Oosterom, P.J.M.; Ravada, S.; Horhammer, M.; Martinez Rubi, O.; Ivanova, M.; Kodde, M.; Tijssen, T.P.M.

2014-01-01

Point cloud data are important sources for 3D geo-information. The point cloud data sets are growing in popularity and in size. Modern Big Data acquisition and processing technologies, such as laser scanning from airborne, mobile, or static platforms, dense image matching from photos, multi-beam

Fixed-Point Configurable Hardware Components

Directory of Open Access Journals (Sweden)

Rocher Romuald

2006-01-01

Full Text Available To reduce the gap between the VLSI technology capability and the designer productivity, design reuse based on IP (intellectual properties is commonly used. In terms of arithmetic accuracy, the generated architecture can generally only be configured through the input and output word lengths. In this paper, a new kind of method to optimize fixed-point arithmetic IP has been proposed. The architecture cost is minimized under accuracy constraints defined by the user. Our approach allows exploring the fixed-point search space and the algorithm-level search space to select the optimized structure and fixed-point specification. To significantly reduce the optimization and design times, analytical models are used for the fixed-point optimization process.

A development of the Gibbs potential of a quantised system made up of a large number of particles. III. The contribution of binary collisions

International Nuclear Information System (INIS)

BLOCH, Claude; DE DOMINICIS, Cyrano

1959-01-01

Starting from an expansion derived in a previous work, we study the contribution to the Gibbs potential of the two-body dynamical correlations, taking into account the statistical correlations. Such a contribution is of interest for low-density systems at low temperature. In the zero density limit, it reduces to the Beth-Uhlenbeck expression for the second virial coefficient. For a system of fermions in the zero temperature limit, it yields the contribution of the Brueckner reaction matrix to the ground state energy, plus, under certain conditions, additional terms of the form exp ( β / Δ /), where the Δ are the binding energies of 'bound states' of the type first discussed by L. Cooper. Finally, we study the wave function of two particles immersed in a medium (defined by its temperature and chemical potential). It satisfies an equation generalizing the Bethe-Goldstone equation for an arbitrary temperature. Reprint of a paper published in Nuclear Physics, 10, p. 509-526, 1959

HERITABILITY AND BREEDING VALUE OF SHEEP FERTILITY ESTIMATED BY MEANS OF THE GIBBS SAMPLING METHOD USING THE LINEAR AND THRESHOLD MODELS

Directory of Open Access Journals (Sweden)

DARIUSZ Piwczynski

2013-03-01

Full Text Available The research was carried out on 4,030 Polish Merino ewes born in the years 1991- 2001, kept in 15 flocks from the Pomorze and Kujawy region. Fertility of ewes in subsequent reproduction seasons was analysed with the use of multiple logistic regression. The research showed that there is a statistical influence of the flock, year of birth, age of dam, flock year interaction of birth on the ewes fertility. In order to estimate the genetic parameters, the Gibbs sampling method was applied, using the univariate animal models, both linear as well as threshold. Estimates of fertility depending on the model equalled 0.067 to 0.104, whereas the estimates of repeatability equalled respectively: 0.076 and 0.139. The obtained genetic parameters were then used to estimate the breeding values of the animals in terms of controlled trait (Best Linear Unbiased Prediction method using linear and threshold models. The obtained animal breeding values rankings in respect of the same trait with the use of linear and threshold models were strongly correlated with each other (rs = 0.972. Negative genetic trends of fertility (0.01-0.08% per year were found.

MOVING WINDOW SEGMENTATION FRAMEWORK FOR POINT CLOUDS

Directory of Open Access Journals (Sweden)

G. Sithole

2012-07-01

Full Text Available As lidar point clouds become larger streamed processing becomes more attractive. This paper presents a framework for the streamed segmentation of point clouds with the intention of segmenting unstructured point clouds in real-time. The framework is composed of two main components. The first component segments points within a window shifting over the point cloud. The second component stitches the segments within the windows together. In this fashion a point cloud can be streamed through these two components in sequence, thus producing a segmentation. The algorithm has been tested on airborne lidar point cloud and some results of the performance of the framework are presented.

Neutron-rich isotopes around the r-process 'waiting-point' nuclei 2979Cu50 and 3080Zn50

International Nuclear Information System (INIS)

Kratz, K.L.; Gabelmann, H.; Pfeiffer, B.; Woehr, A.

1991-01-01

Beta-decay half-lives (T 1/2 ) and delayed-neutron emission probabilities (P n ) of very neutron-rich Cu to As nuclei have been measured, among them the new isotopes 77 Cu 48 , 79 Cu 50 , 81 Zn 51 and 84 Ga 53 . With the T 1/2 and P n -values of now four N≅50 'waiting-point' nuclei known, our hypothesis that the r-process has attained a local β-flow equilibrium around A≅80 is further strengthened. (orig.)

SharePoint Server 2010 Enterprise Content Management

CERN Document Server

Kitta, Todd; Caplinger, Chris; Houberg, Russ

2011-01-01

SharePoint experts focus on SharePoint 2010 as a platform for Enterprise Content Management SharePoint allows all users in an organization to manage and share their content reliably and securely. If you're interested in building Web sites using the new capabilities of enterprise content management (ECM) in SharePoint 2010, then this book is for you. You'll discover how SharePoint 2010 spans rich document management, records management, business process management and web content management in a seamless way to manage and share content. The team of SharePoint experts discusses the ECM capabi

Quantifying structural uncertainty on fault networks using a marked point process within a Bayesian framework

Science.gov (United States)

Aydin, Orhun; Caers, Jef Karel

2017-08-01

Faults are one of the building-blocks for subsurface modeling studies. Incomplete observations of subsurface fault networks lead to uncertainty pertaining to location, geometry and existence of faults. In practice, gaps in incomplete fault network observations are filled based on tectonic knowledge and interpreter's intuition pertaining to fault relationships. Modeling fault network uncertainty with realistic models that represent tectonic knowledge is still a challenge. Although methods that address specific sources of fault network uncertainty and complexities of fault modeling exists, a unifying framework is still lacking. In this paper, we propose a rigorous approach to quantify fault network uncertainty. Fault pattern and intensity information are expressed by means of a marked point process, marked Strauss point process. Fault network information is constrained to fault surface observations (complete or partial) within a Bayesian framework. A structural prior model is defined to quantitatively express fault patterns, geometries and relationships within the Bayesian framework. Structural relationships between faults, in particular fault abutting relations, are represented with a level-set based approach. A Markov Chain Monte Carlo sampler is used to sample posterior fault network realizations that reflect tectonic knowledge and honor fault observations. We apply the methodology to a field study from Nankai Trough & Kumano Basin. The target for uncertainty quantification is a deep site with attenuated seismic data with only partially visible faults and many faults missing from the survey or interpretation. A structural prior model is built from shallow analog sites that are believed to have undergone similar tectonics compared to the site of study. Fault network uncertainty for the field is quantified with fault network realizations that are conditioned to structural rules, tectonic information and partially observed fault surfaces. We show the proposed

Thermodynamics properties of lanthanide series near melting point-A pseudopotential approach

Science.gov (United States)

Suthar, P. H.; Gajjar, P. N.

2018-04-01

The present paper deals with computational study of thermodynamics properties for fifteen elements of lanthanide series. The Helmholtz free energy (F), Internal energy (E) and Entropy (S)have been computed using variational method based on the Gibbs-Bogoliubov (GB) along with Percus-Yevick hard sphere reference system and Gajjar's model potential. The local field correction function proposed by Taylor is applied to introduce the exchange and correlation effects in the study of thermodynamics of these metals. The present results in comparison with available theoretical and experimental are found to be in good agreement and confirm the ability of the model potential.

Active point out-of-plane ultrasound calibration

Science.gov (United States)

Cheng, Alexis; Guo, Xiaoyu; Zhang, Haichong K.; Kang, Hyunjae; Etienne-Cummings, Ralph; Boctor, Emad M.

2015-03-01

Image-guided surgery systems are often used to provide surgeons with informational support. Due to several unique advantages such as ease of use, real-time image acquisition, and no ionizing radiation, ultrasound is a common intraoperative medical imaging modality used in image-guided surgery systems. To perform advanced forms of guidance with ultrasound, such as virtual image overlays or automated robotic actuation, an ultrasound calibration process must be performed. This process recovers the rigid body transformation between a tracked marker attached to the transducer and the ultrasound image. Point-based phantoms are considered to be accurate, but their calibration framework assumes that the point is in the image plane. In this work, we present the use of an active point phantom and a calibration framework that accounts for the elevational uncertainty of the point. Given the lateral and axial position of the point in the ultrasound image, we approximate a circle in the axial-elevational plane with a radius equal to the axial position. The standard approach transforms all of the imaged points to be a single physical point. In our approach, we minimize the distances between the circular subsets of each image, with them ideally intersecting at a single point. We simulated in noiseless and noisy cases, presenting results on out-of-plane estimation errors, calibration estimation errors, and point reconstruction precision. We also performed an experiment using a robot arm as the tracker, resulting in a point reconstruction precision of 0.64mm.

Fabrication of an infrared Shack-Hartmann sensor by combining high-speed single-point diamond milling and precision compression molding processes.

Science.gov (United States)

Zhang, Lin; Zhou, Wenchen; Naples, Neil J; Yi, Allen Y

2018-05-01

A novel fabrication method by combining high-speed single-point diamond milling and precision compression molding processes for fabrication of discontinuous freeform microlens arrays was proposed. Compared with slow tool servo diamond broaching, high-speed single-point diamond milling was selected for its flexibility in the fabrication of true 3D optical surfaces with discontinuous features. The advantage of single-point diamond milling is that the surface features can be constructed sequentially by spacing the axes of a virtual spindle at arbitrary positions based on the combination of rotational and translational motions of both the high-speed spindle and linear slides. By employing this method, each micro-lenslet was regarded as a microstructure cell by passing the axis of the virtual spindle through the vertex of each cell. An optimization arithmetic based on minimum-area fabrication was introduced to the machining process to further increase the machining efficiency. After the mold insert was machined, it was employed to replicate the microlens array onto chalcogenide glass. In the ensuing optical measurement, the self-built Shack-Hartmann wavefront sensor was proven to be accurate in detecting an infrared wavefront by both experiments and numerical simulation. The combined results showed that precision compression molding of chalcogenide glasses could be an economic and precision optical fabrication technology for high-volume production of infrared optics.

A three-dimensional point process model for the spatial distribution of disease occurrence in relation to an exposure source

DEFF Research Database (Denmark)

Grell, Kathrine; Diggle, Peter J; Frederiksen, Kirsten

2015-01-01

We study methods for how to include the spatial distribution of tumours when investigating the relation between brain tumours and the exposure from radio frequency electromagnetic fields caused by mobile phone use. Our suggested point process model is adapted from studies investigating spatial...... the Interphone Study, a large multinational case-control study on the association between brain tumours and mobile phone use....

THE PREDICTION OF pH BY GIBBS FREE ENERGY MINIMIZATION IN THE SUMP SOLUTION UNDER LOCA CONDITION OF PWR

Directory of Open Access Journals (Sweden)

HYOUNGJU YOON

2013-02-01

Full Text Available It is required that the pH of the sump solution should be above 7.0 to retain iodine in a liquid phase and be within the material compatibility constraints under LOCA condition of PWR. The pH of the sump solution can be determined by conventional chemical equilibrium constants or by the minimization of Gibbs free energy. The latter method developed as a computer code called SOLGASMIX-PV is more convenient than the former since various chemical components can be easily treated under LOCA conditions. In this study, SOLGASMIX-PV code was modified to accommodate the acidic and basic materials produced by radiolysis reactions and to calculate the pH of the sump solution. When the computed pH was compared with measured by the ORNL experiment to verify the reliability of the modified code, the error between two values was within 0.3 pH. Finally, two cases of calculation were performed for the SKN 3&4 and UCN 1&2. As results, pH of the sump solution for the SKN 3&4 was between 7.02 and 7.45, and for the UCN 1&2 plant between 8.07 and 9.41. Furthermore, it was found that the radiolysis reactions have insignificant effects on pH because the relative concentrations of HCl, HNO3, and Cs are very low.

Microbial profile and critical control points during processing of 'robo ...

African Journals Online (AJOL)

STORAGESEVER

2009-05-18

May 18, 2009 ... frying, surface fat draining, open-air cooling, and holding/packaging in polyethylene films during sales and distribution. The product was, however, classified under category III with respect to risk and the significance of monitoring and evaluation of quality using the hazard analysis critical control point.

Adsorption of arsenic(III) into modified lamellar Na-magadiite in aqueous medium—Thermodynamic of adsorption process

Science.gov (United States)

Guerra, Denis Lima; Pinto, Alane Azevedo; Airoldi, Claudio; Viana, Rúbia Ribeiro

2008-12-01

Synthetic Na-magadiite sample was used for organofunctionalization process with N-propyldiethylenetrimethoxysilane and bis[3-(triethoxysilyl)propyl]tetrasulfide, after expanding the interlayer distance with polar organic solvents such as dimethylsulfoxide (DMSO). The resulted materials were submitted to process of adsorption with arsenic solution at pH 2.0 and 298±1 K. The adsorption isotherms were adjusted using a modified Langmuir equation with regression nonlinear; the net thermal effects obtained from calorimetric titration measurements were adjusted to a modified Langmuir equation. The adsorption process was exothermic (Δ intH=-4.15-5.98 kJ mol -1) accompanied by increase in entropy (Δ intS=41.32-62.20 J k -1 mol -1) and Gibbs energy (Δ intG=-22.44-24.56 kJ mol -1). The favorable values corroborate with the arsenic (III)/basic reactive centers interaction at the solid-liquid interface in the spontaneous process.

Designing a Secure Point-of-Sale System

DEFF Research Database (Denmark)

Sharp, Robin; Pedersen, Allan; Hedegaard, Anders

2006-01-01

This paper describes some experiences with using the ''Common Criteria for Information Security Evaluation'' as the basis for a design methodology when designing secure systems. As an example, the design process for a Point-of-Sale (POS) system is described.......This paper describes some experiences with using the ''Common Criteria for Information Security Evaluation'' as the basis for a design methodology when designing secure systems. As an example, the design process for a Point-of-Sale (POS) system is described....

The algorithm to generate color point-cloud with the registration between panoramic image and laser point-cloud

International Nuclear Information System (INIS)

Zeng, Fanyang; Zhong, Ruofei

2014-01-01

Laser point cloud contains only intensity information and it is necessary for visual interpretation to obtain color information from other sensor. Cameras can provide texture, color, and other information of the corresponding object. Points with color information of corresponding pixels in digital images can be used to generate color point-cloud and is conducive to the visualization, classification and modeling of point-cloud. Different types of digital cameras are used in different Mobile Measurement Systems (MMS).the principles and processes for generating color point-cloud in different systems are not the same. The most prominent feature of the panoramic images is the field of 360 degrees view angle in the horizontal direction, to obtain the image information around the camera as much as possible. In this paper, we introduce a method to generate color point-cloud with panoramic image and laser point-cloud, and deduce the equation of the correspondence between points in panoramic images and laser point-clouds. The fusion of panoramic image and laser point-cloud is according to the collinear principle of three points (the center of the omnidirectional multi-camera system, the image point on the sphere, the object point). The experimental results show that the proposed algorithm and formulae in this paper are correct

Testing of the BipiColombo Antenna Pointing Mechanism

Science.gov (United States)

Campo, Pablo; Barrio, Aingeru; Martin, Fernando

2015-09-01

BepiColombo is an ESA mission to Mercury, its planetary orbiter (MPO) has two antenna pointing mechanism, High gain antenna (HGA) pointing mechanism steers and points a large reflector which is integrated at system level by TAS-I Rome. Medium gain antenna (MGA) APM points a 1.5 m boom with a horn antenna. Both radiating elements are exposed to sun fluxes as high as 10 solar constants without protections.A previous paper [1] described the design and development process to solve the challenges of performing in harsh environment.. Current paper is focused on the testing process of the qualification units. Testing performance of antenna pointing mechanism in its specific environmental conditions has required special set-up and techniques. The process has provided valuable feedback on the design and the testing methods which have been included in the PFM design and tests.Some of the technologies and components were developed on dedicated items priort to EQM, but once integrated, test behaviour had relevant differences.Some of the major concerns for the APM testing are:- Create during the thermal vacuum testing the qualification temperature map with gradients along the APM. From of 200oC to 70oC.- Test in that conditions the radio frequency and pointing performances adding also high RF power to check the power handling and self-heating of the rotary joint.- Test in life up to 12000 equivalent APM revolutions, that is 14.3 million motor revolutions in different thermal conditions.- Measure low thermal distortion of the mechanical chain, being at the same time insulated from external environment and interfaces (55 arcsec pointing error)- Perform deployment of large items guaranteeing during the process low humidity, below 5% to protect dry lubrication- Verify stability with representative inertia of large boom or reflector 20 Kgm2.

Accuracy Constraint Determination in Fixed-Point System Design

Directory of Open Access Journals (Sweden)

Serizel R

2008-01-01

Full Text Available Most of digital signal processing applications are specified and designed with floatingpoint arithmetic but are finally implemented using fixed-point architectures. Thus, the design flow requires a floating-point to fixed-point conversion stage which optimizes the implementation cost under execution time and accuracy constraints. This accuracy constraint is linked to the application performances and the determination of this constraint is one of the key issues of the conversion process. In this paper, a method is proposed to determine the accuracy constraint from the application performance. The fixed-point system is modeled with an infinite precision version of the system and a single noise source located at the system output. Then, an iterative approach for optimizing the fixed-point specification under the application performance constraint is defined and detailed. Finally the efficiency of our approach is demonstrated by experiments on an MP3 encoder.

Geometric anisotropic spatial point pattern analysis and Cox processes

DEFF Research Database (Denmark)

Møller, Jesper; Toftaker, Håkon

. In particular we study Cox process models with an elliptical pair correlation function, including shot noise Cox processes and log Gaussian Cox processes, and we develop estimation procedures using summary statistics and Bayesian methods. Our methodology is illustrated on real and synthetic datasets of spatial...

High boiling point hydrocarbons

Energy Technology Data Exchange (ETDEWEB)

Pier, M

1929-04-29

A process is given for the production of hydrocarbons of high boiling point, such as lubricating oils, from bituminous substances, such as varieties of coal, shale, or other solid distillable carbonaceous materials. The process consists of treating the initial materials with organic solvents and then subjecting the products extracted from the initial materials, preferably directly, to a reducing treatment in respect to temperature, pressure, and time. The reduction treatment is performed by means of hydrogen under pressure.

Making SharePoint® Chemically Aware™.

Science.gov (United States)

Tallapragada, Kartik; Chewning, Joseph; Kombo, David; Ludwick, Beverly

2012-01-12

The use of SharePoint® collaboration software for content management has become a critical part of today's drug discovery process. SharePoint 2010 software has laid a foundation which enables researchers to collaborate and search on various contents. The amount of data generated during a transition of a single compound from preclinical discovery to commercialization can easily range in terabytes, thus there is a greater demand of a chemically aware search algorithm that supplements SharePoint which enables researchers to query for information in a more intuitive and effective way. Thus by supplementing SharePoint with Chemically Aware™ features provides a great value to the pharmaceutical and biotech companies and makes drug discovery more efficient. Using several tools we have integrated SharePoint with chemical, compound, and reaction databases, thereby improving the traditional search engine capability and enhancing the user experience. This paper describes the implementation of a Chemically Aware™ system to supplement SharePoint. A Chemically Aware SharePoint (CASP) allows users to tag documents by drawing a structure and associating it with the related content. It also allows the user to search SharePoint software content and internal/external databases by carrying out substructure, similarity, SMILES, and IUPAC name searches. Building on traditional search, CASP takes SharePoint one step further by providing a intuitive GUI to the researchers to base their search on their knowledge of chemistry than textual search. CASP also provides a way to integrate with other systems, for example a researcher can perform a sub-structure search on pdf documents with embedded molecular entities. A Chemically Aware™ system supplementing SharePoint is a step towards making drug discovery process more efficient and also helps researchers to search for information in a more intuitive way. It also helps the researchers to find information which was once difficult to find

Making SharePoint® Chemically Aware™

Directory of Open Access Journals (Sweden)

Tallapragada Kartik

2012-01-01

Full Text Available Abstract Background The use of SharePoint® collaboration software for content management has become a critical part of today's drug discovery process. SharePoint 2010 software has laid a foundation which enables researchers to collaborate and search on various contents. The amount of data generated during a transition of a single compound from preclinical discovery to commercialization can easily range in terabytes, thus there is a greater demand of a chemically aware search algorithm that supplements SharePoint which enables researchers to query for information in a more intuitive and effective way. Thus by supplementing SharePoint with Chemically Aware™ features provides a great value to the pharmaceutical and biotech companies and makes drug discovery more efficient. Using several tools we have integrated SharePoint with chemical, compound, and reaction databases, thereby improving the traditional search engine capability and enhancing the user experience. Results This paper describes the implementation of a Chemically Aware™ system to supplement SharePoint. A Chemically Aware SharePoint (CASP allows users to tag documents by drawing a structure and associating it with the related content. It also allows the user to search SharePoint software content and internal/external databases by carrying out substructure, similarity, SMILES, and IUPAC name searches. Building on traditional search, CASP takes SharePoint one step further by providing a intuitive GUI to the researchers to base their search on their knowledge of chemistry than textual search. CASP also provides a way to integrate with other systems, for example a researcher can perform a sub-structure search on pdf documents with embedded molecular entities. Conclusion A Chemically Aware™ system supplementing SharePoint is a step towards making drug discovery process more efficient and also helps researchers to search for information in a more intuitive way. It also helps the

Creating Helical Tool Paths for Single Point Incremental Forming

DEFF Research Database (Denmark)

Skjødt, Martin; Hancock, Michael H.; Bay, Niels

2007-01-01

Single point incremental forming (SPIF) is a relatively new sheet forming process. A sheet is clamped in a rig and formed incrementally using a rotating single point tool in the form of a rod with a spherical end. The process is often performed on a CNC milling machine and the tool movement...

Lasso and probabilistic inequalities for multivariate point processes

DEFF Research Database (Denmark)

Hansen, Niels Richard; Reynaud-Bouret, Patricia; Rivoirard, Vincent

2015-01-01

Due to its low computational cost, Lasso is an attractive regularization method for high-dimensional statistical settings. In this paper, we consider multivariate counting processes depending on an unknown function parameter to be estimated by linear combinations of a fixed dictionary. To select...... for multivariate Hawkes processes are proven, which allows us to check these assumptions by considering general dictionaries based on histograms, Fourier or wavelet bases. Motivated by problems of neuronal activity inference, we finally carry out a simulation study for multivariate Hawkes processes and compare our...... methodology with the adaptive Lasso procedure proposed by Zou in (J. Amer. Statist. Assoc. 101 (2006) 1418–1429). We observe an excellent behavior of our procedure. We rely on theoretical aspects for the essential question of tuning our methodology. Unlike adaptive Lasso of (J. Amer. Statist. Assoc. 101 (2006...

SharePoint 2010 Enterprise Architect's Guidebook

CERN Document Server

Wilson, Brian; Baer, Bill; Kearn, Martin; Shah, Arpan; Adams, Jim; Bridport, Nigel; Esperanca, Huge; Gideon, Chris; Hassani, Sam; Hodgkinson, Neil; Juvonen, Vesa; Kleven, Scott; Morrish, Ian; Olenick, Paul; Ranlett, Matt; Voskresenskaya, Natalya; Walker, Simon; Whitehead, Chris

2012-01-01

Tips and techniques for becoming a successful SharePoint architect If you're eager to design and architect a successful deployment of SharePoint 2010, then this is the book for you. Packed with real-world experiences and solid processes, this guidebook provides you with everything you need to perform for designing and architecting enterprise portal services. Helpful examples examine the common design issues affecting SharePoint 2010 environments that can cause deployments to fail so you can learn what to avoid. Plus, key development and deployment issues are covered from an architecture perspe

Change point analysis and assessment

DEFF Research Database (Denmark)