Maximum entropy analysis of NMR data of flexible multirotor molecules partially oriented in nematic solution: 2,2':5',2″-terthiophene, 2,2'- and 3,3'-dithiophene

NASA Astrophysics Data System (ADS)

Caldarelli, Stefano; Catalano, Donata; Di Bari, Lorenzo; Lumetti, Marco; Ciofalo, Maurizio; Alberto Veracini, Carlo

1994-07-01

The dipolar couplings observed by NMR spectroscopy of solutes in nematic solvents (LX-NMR) are used to build up the maximum entropy (ME) probability distribution function of the variables describing the orientational and internal motion of the molecule. The ME conformational distributions of 2,2'- and 3,3'-dithiophene and 2,2':5',2″-terthiophene (α-terthienyl)thus obtained are compared with the results of previous studies. The 2,2'- and 3,3'-dithiophene molecules exhibit equilibria among cisoid and transoid forms; the probability maxima correspond to planar and twisted conformers for 2,2'- or 3,3'-dithiophene, respectively, 2,2':5',2″-Terthiophene has two internal degrees of freedom; the ME approach indicates that the trans, trans and cis, trans planar conformations are the most probable. The correlation between the two intramolecular rotations is also discussed.

Combining Experiments and Simulations Using the Maximum Entropy Principle

PubMed Central

Boomsma, Wouter; Ferkinghoff-Borg, Jesper; Lindorff-Larsen, Kresten

2014-01-01

A key component of computational biology is to compare the results of computer modelling with experimental measurements. Despite substantial progress in the models and algorithms used in many areas of computational biology, such comparisons sometimes reveal that the computations are not in quantitative agreement with experimental data. The principle of maximum entropy is a general procedure for constructing probability distributions in the light of new data, making it a natural tool in cases when an initial model provides results that are at odds with experiments. The number of maximum entropy applications in our field has grown steadily in recent years, in areas as diverse as sequence analysis, structural modelling, and neurobiology. In this Perspectives article, we give a broad introduction to the method, in an attempt to encourage its further adoption. The general procedure is explained in the context of a simple example, after which we proceed with a real-world application in the field of molecular simulations, where the maximum entropy procedure has recently provided new insight. Given the limited accuracy of force fields, macromolecular simulations sometimes produce results that are at not in complete and quantitative accordance with experiments. A common solution to this problem is to explicitly ensure agreement between the two by perturbing the potential energy function towards the experimental data. So far, a general consensus for how such perturbations should be implemented has been lacking. Three very recent papers have explored this problem using the maximum entropy approach, providing both new theoretical and practical insights to the problem. We highlight each of these contributions in turn and conclude with a discussion on remaining challenges. PMID:24586124

Multiple Diffusion Mechanisms Due to Nanostructuring in Crowded Environments

PubMed Central

Sanabria, Hugo; Kubota, Yoshihisa; Waxham, M. Neal

2007-01-01

One of the key questions regarding intracellular diffusion is how the environment affects molecular mobility. Mostly, intracellular diffusion has been described as hindered, and the physical reasons for this behavior are: immobile barriers, molecular crowding, and binding interactions with immobile or mobile molecules. Using results from multi-photon fluorescence correlation spectroscopy, we describe how immobile barriers and crowding agents affect translational mobility. To study the hindrance produced by immobile barriers, we used sol-gels (silica nanostructures) that consist of a continuous solid phase and aqueous phase in which fluorescently tagged molecules diffuse. In the case of molecular crowding, translational mobility was assessed in increasing concentrations of 500 kDa dextran solutions. Diffusion of fluorescent tracers in both sol-gels and dextran solutions shows clear evidence of anomalous subdiffusion. In addition, data from the autocorrelation function were analyzed using the maximum entropy method as adapted to fluorescence correlation spectroscopy data and compared with the standard model that incorporates anomalous diffusion. The maximum entropy method revealed evidence of different diffusion mechanisms that had not been revealed using the anomalous diffusion model. These mechanisms likely correspond to nanostructuring in crowded environments and to the relative dimensions of the crowding agent with respect to the tracer molecule. Analysis with the maximum entropy method also revealed information about the degree of heterogeneity in the environment as reported by the behavior of diffusive molecules. PMID:17040979

Origin of generalized entropies and generalized statistical mechanics for superstatistical multifractal systems

NASA Astrophysics Data System (ADS)

Gadjiev, Bahruz; Progulova, Tatiana

2015-01-01

We consider a multifractal structure as a mixture of fractal substructures and introduce a distribution function f (α), where α is a fractal dimension. Then we can introduce g(p)˜ ∫- ln p μe-yf(y)dy and show that the distribution functions f (α) in the form of f(α) = δ(α-1), f(α) = δ(α-θ) , f(α) = 1/α-1 , f(y)= y α-1 lead to the Boltzmann - Gibbs, Shafee, Tsallis and Anteneodo - Plastino entropies conformably. Here δ(x) is the Dirac delta function. Therefore the Shafee entropy corresponds to a fractal structure, the Tsallis entropy describes a multifractal structure with a homogeneous distribution of fractal substructures and the Anteneodo - Plastino entropy appears in case of a power law distribution f (y). We consider the Fokker - Planck equation for a fractal substructure and determine its stationary solution. To determine the distribution function of a multifractal structure we solve the two-dimensional Fokker - Planck equation and obtain its stationary solution. Then applying the Bayes theorem we obtain a distribution function for the entire system in the form of q-exponential function. We compare the results of the distribution functions obtained due to the superstatistical approach with the ones obtained according to the maximum entropy principle.

Maximum Entropy Calculations on a Discrete Probability Space

DTIC Science & Technology

1986-01-01

constraints acting besides normalization. Statement 3: " The aim of this paper is to show that the die experiment just spoken of has solutions by classical ...analysis. Statement 4: We snall solve this problem in a purely classical way, without the need for recourse to any exotic estimator, such as ME." Note... The I’iximoun Entropy Principle lin i rejirk.ible -series ofT papers beginning in 1957, E. T. J.ayiieti (1957) be~gan a revuluuion in inductive

Maximum entropy analysis of polarized fluorescence decay of (E)GFP in aqueous solution

NASA Astrophysics Data System (ADS)

Novikov, Eugene G.; Skakun, Victor V.; Borst, Jan Willem; Visser, Antonie J. W. G.

2018-01-01

The maximum entropy method (MEM) was used for the analysis of polarized fluorescence decays of enhanced green fluorescent protein (EGFP) in buffered water/glycerol mixtures, obtained with time-correlated single-photon counting (Visser et al 2016 Methods Appl. Fluoresc. 4 035002). To this end, we used a general-purpose software module of MEM that was earlier developed to analyze (complex) laser photolysis kinetics of ligand rebinding reactions in oxygen binding proteins. We demonstrate that the MEM software provides reliable results and is easy to use for the analysis of both total fluorescence decay and fluorescence anisotropy decay of aqueous solutions of EGFP. The rotational correlation times of EGFP in water/glycerol mixtures, obtained by MEM as maxima of the correlation-time distributions, are identical to the single correlation times determined by global analysis of parallel and perpendicular polarized decay components. The MEM software is also able to determine homo-FRET in another dimeric GFP, for which the transfer correlation time is an order of magnitude shorter than the rotational correlation time. One important advantage utilizing MEM analysis is that no initial guesses of parameters are required, since MEM is able to select the least correlated solution from the feasible set of solutions.

Maximum Tsallis entropy with generalized Gini and Gini mean difference indices constraints

NASA Astrophysics Data System (ADS)

Khosravi Tanak, A.; Mohtashami Borzadaran, G. R.; Ahmadi, J.

2017-04-01

Using the maximum entropy principle with Tsallis entropy, some distribution families for modeling income distribution are obtained. By considering income inequality measures, maximum Tsallis entropy distributions under the constraint on generalized Gini and Gini mean difference indices are derived. It is shown that the Tsallis entropy maximizers with the considered constraints belong to generalized Pareto family.

Random versus maximum entropy models of neural population activity

NASA Astrophysics Data System (ADS)

Ferrari, Ulisse; Obuchi, Tomoyuki; Mora, Thierry

2017-04-01

The principle of maximum entropy provides a useful method for inferring statistical mechanics models from observations in correlated systems, and is widely used in a variety of fields where accurate data are available. While the assumptions underlying maximum entropy are intuitive and appealing, its adequacy for describing complex empirical data has been little studied in comparison to alternative approaches. Here, data from the collective spiking activity of retinal neurons is reanalyzed. The accuracy of the maximum entropy distribution constrained by mean firing rates and pairwise correlations is compared to a random ensemble of distributions constrained by the same observables. For most of the tested networks, maximum entropy approximates the true distribution better than the typical or mean distribution from that ensemble. This advantage improves with population size, with groups as small as eight being almost always better described by maximum entropy. Failure of maximum entropy to outperform random models is found to be associated with strong correlations in the population.

Maximum-entropy reconstruction method for moment-based solution of the Boltzmann equation

NASA Astrophysics Data System (ADS)

Summy, Dustin; Pullin, Dale

2013-11-01

We describe a method for a moment-based solution of the Boltzmann equation. This starts with moment equations for a 10 + 9 N , N = 0 , 1 , 2 . . . -moment representation. The partial-differential equations (PDEs) for these moments are unclosed, containing both higher-order moments and molecular-collision terms. These are evaluated using a maximum-entropy construction of the velocity distribution function f (c , x , t) , using the known moments, within a finite-box domain of single-particle-velocity (c) space. Use of a finite-domain alleviates known problems (Junk and Unterreiter, Continuum Mech. Thermodyn., 2002) concerning existence and uniqueness of the reconstruction. Unclosed moments are evaluated with quadrature while collision terms are calculated using a Monte-Carlo method. This allows integration of the moment PDEs in time. Illustrative examples will include zero-space- dimensional relaxation of f (c , t) from a Mott-Smith-like initial condition toward equilibrium and one-space dimensional, finite Knudsen number, planar Couette flow. Comparison with results using the direct-simulation Monte-Carlo method will be presented.

Information Entropy Production of Maximum Entropy Markov Chains from Spike Trains

NASA Astrophysics Data System (ADS)

Cofré, Rodrigo; Maldonado, Cesar

2018-01-01

We consider the maximum entropy Markov chain inference approach to characterize the collective statistics of neuronal spike trains, focusing on the statistical properties of the inferred model. We review large deviations techniques useful in this context to describe properties of accuracy and convergence in terms of sampling size. We use these results to study the statistical fluctuation of correlations, distinguishability and irreversibility of maximum entropy Markov chains. We illustrate these applications using simple examples where the large deviation rate function is explicitly obtained for maximum entropy models of relevance in this field.

Statistical theory on the analytical form of cloud particle size distributions

NASA Astrophysics Data System (ADS)

Wu, Wei; McFarquhar, Greg

2017-11-01

Several analytical forms of cloud particle size distributions (PSDs) have been used in numerical modeling and remote sensing retrieval studies of clouds and precipitation, including exponential, gamma, lognormal, and Weibull distributions. However, there is no satisfying physical explanation as to why certain distribution forms preferentially occur instead of others. Theoretically, the analytical form of a PSD can be derived by directly solving the general dynamic equation, but no analytical solutions have been found yet. Instead of using a process level approach, the use of the principle of maximum entropy (MaxEnt) for determining the analytical form of PSDs from the perspective of system is examined here. Here, the issue of variability under coordinate transformations that arises using the Gibbs/Shannon definition of entropy is identified, and the use of the concept of relative entropy to avoid these problems is discussed. Focusing on cloud physics, the four-parameter generalized gamma distribution is proposed as the analytical form of a PSD using the principle of maximum (relative) entropy with assumptions on power law relations between state variables, scale invariance and a further constraint on the expectation of one state variable (e.g. bulk water mass). DOE ASR.

The equivalence of minimum entropy production and maximum thermal efficiency in endoreversible heat engines.

PubMed

Haseli, Y

2016-05-01

The objective of this study is to investigate the thermal efficiency and power production of typical models of endoreversible heat engines at the regime of minimum entropy generation rate. The study considers the Curzon-Ahlborn engine, the Novikov's engine, and the Carnot vapor cycle. The operational regimes at maximum thermal efficiency, maximum power output and minimum entropy production rate are compared for each of these engines. The results reveal that in an endoreversible heat engine, a reduction in entropy production corresponds to an increase in thermal efficiency. The three criteria of minimum entropy production, the maximum thermal efficiency, and the maximum power may become equivalent at the condition of fixed heat input.

In Vivo potassium-39 NMR spectra by the burg maximum-entropy method

NASA Astrophysics Data System (ADS)

Uchiyama, Takanori; Minamitani, Haruyuki

The Burg maximum-entropy method was applied to estimate 39K NMR spectra of mung bean root tips. The maximum-entropy spectra have as good a linearity between peak areas and potassium concentrations as those obtained by fast Fourier transform and give a better estimation of intracellular potassium concentrations. Therefore potassium uptake and loss processes of mung bean root tips are shown to be more clearly traced by the maximum-entropy method.

Single water entropy: hydrophobic crossover and application to drug binding.

PubMed

Sasikala, Wilbee D; Mukherjee, Arnab

2014-09-11

Entropy of water plays an important role in both chemical and biological processes e.g. hydrophobic effect, molecular recognition etc. Here we use a new approach to calculate translational and rotational entropy of the individual water molecules around different hydrophobic and charged solutes. We show that for small hydrophobic solutes, the translational and rotational entropies of each water molecule increase as a function of its distance from the solute reaching finally to a constant bulk value. As the size of the solute increases (0.746 nm), the behavior of the translational entropy is opposite; water molecules closest to the solute have higher entropy that reduces with distance from the solute. This indicates that there is a crossover in translational entropy of water molecules around hydrophobic solutes from negative to positive values as the size of the solute is increased. Rotational entropy of water molecules around hydrophobic solutes for all sizes increases with distance from the solute, indicating the absence of crossover in rotational entropy. This makes the crossover in total entropy (translation + rotation) of water molecule happen at much larger size (>1.5 nm) for hydrophobic solutes. Translational entropy of single water molecule scales logarithmically (Str(QH) = C + kB ln V), with the volume V obtained from the ellipsoid of inertia. We further discuss the origin of higher entropy of water around water and show the possibility of recovering the entropy loss of some hypothetical solutes. The results obtained are helpful to understand water entropy behavior around various hydrophobic and charged environments within biomolecules. Finally, we show how our approach can be used to calculate the entropy of the individual water molecules in a protein cavity that may be replaced during ligand binding.

Trends in entropy production during ecosystem development in the Amazon Basin.

PubMed

Holdaway, Robert J; Sparrow, Ashley D; Coomes, David A

2010-05-12

Understanding successional trends in energy and matter exchange across the ecosystem-atmosphere boundary layer is an essential focus in ecological research; however, a general theory describing the observed pattern remains elusive. This paper examines whether the principle of maximum entropy production could provide the solution. A general framework is developed for calculating entropy production using data from terrestrial eddy covariance and micrometeorological studies. We apply this framework to data from eight tropical forest and pasture flux sites in the Amazon Basin and show that forest sites had consistently higher entropy production rates than pasture sites (0.461 versus 0.422 W m(-2) K(-1), respectively). It is suggested that during development, changes in canopy structure minimize surface albedo, and development of deeper root systems optimizes access to soil water and thus potential transpiration, resulting in lower surface temperatures and increased entropy production. We discuss our results in the context of a theoretical model of entropy production versus ecosystem developmental stage. We conclude that, although further work is required, entropy production could potentially provide a much-needed theoretical basis for understanding the effects of deforestation and land-use change on the land-surface energy balance.

Entropy and equilibrium via games of complexity

NASA Astrophysics Data System (ADS)

Topsøe, Flemming

2004-09-01

It is suggested that thermodynamical equilibrium equals game theoretical equilibrium. Aspects of this thesis are discussed. The philosophy is consistent with maximum entropy thinking of Jaynes, but goes one step deeper by deriving the maximum entropy principle from an underlying game theoretical principle. The games introduced are based on measures of complexity. Entropy is viewed as minimal complexity. It is demonstrated that Tsallis entropy ( q-entropy) and Kaniadakis entropy ( κ-entropy) can be obtained in this way, based on suitable complexity measures. A certain unifying effect is obtained by embedding these measures in a two-parameter family of entropy functions.

Information entropy to measure the spatial and temporal complexity of solute transport in heterogeneous porous media

NASA Astrophysics Data System (ADS)

Li, Weiyao; Huang, Guanhua; Xiong, Yunwu

2016-04-01

The complexity of the spatial structure of porous media, randomness of groundwater recharge and discharge (rainfall, runoff, etc.) has led to groundwater movement complexity, physical and chemical interaction between groundwater and porous media cause solute transport in the medium more complicated. An appropriate method to describe the complexity of features is essential when study on solute transport and conversion in porous media. Information entropy could measure uncertainty and disorder, therefore we attempted to investigate complexity, explore the contact between the information entropy and complexity of solute transport in heterogeneous porous media using information entropy theory. Based on Markov theory, two-dimensional stochastic field of hydraulic conductivity (K) was generated by transition probability. Flow and solute transport model were established under four conditions (instantaneous point source, continuous point source, instantaneous line source and continuous line source). The spatial and temporal complexity of solute transport process was characterized and evaluated using spatial moment and information entropy. Results indicated that the entropy increased as the increase of complexity of solute transport process. For the point source, the one-dimensional entropy of solute concentration increased at first and then decreased along X and Y directions. As time increased, entropy peak value basically unchanged, peak position migrated along the flow direction (X direction) and approximately coincided with the centroid position. With the increase of time, spatial variability and complexity of solute concentration increase, which result in the increases of the second-order spatial moment and the two-dimensional entropy. Information entropy of line source was higher than point source. Solute entropy obtained from continuous input was higher than instantaneous input. Due to the increase of average length of lithoface, media continuity increased, flow and solute transport complexity weakened, and the corresponding information entropy also decreased. Longitudinal macro dispersivity declined slightly at early time then rose. Solute spatial and temporal distribution had significant impacts on the information entropy. Information entropy could reflect the change of solute distribution. Information entropy appears a tool to characterize the spatial and temporal complexity of solute migration and provides a reference for future research.

On the pH Dependence of the Potential of Maximum Entropy of Ir(111) Electrodes.

PubMed

Ganassin, Alberto; Sebastián, Paula; Climent, Víctor; Schuhmann, Wolfgang; Bandarenka, Aliaksandr S; Feliu, Juan

2017-04-28

Studies over the entropy of components forming the electrode/electrolyte interface can give fundamental insights into the properties of electrified interphases. In particular, the potential where the entropy of formation of the double layer is maximal (potential of maximum entropy, PME) is an important parameter for the characterization of electrochemical systems. Indeed, this parameter determines the majority of electrode processes. In this work, we determine PMEs for Ir(111) electrodes. The latter currently play an important role to understand electrocatalysis for energy provision; and at the same time, iridium is one of the most stable metals against corrosion. For the experiments, we used a combination of the laser induced potential transient to determine the PME, and CO charge-displacement to determine the potentials of zero total charge, (E PZTC ). Both PME and E PZTC were assessed for perchlorate solutions in the pH range from 1 to 4. Surprisingly, we found that those are located in the potential region where the adsorption of hydrogen and hydroxyl species takes place, respectively. The PMEs demonstrated a shift by ~30 mV per a pH unit (in the RHE scale). Connections between the PME and electrocatalytic properties of the electrode surface are discussed.

Maximum nonlocality and minimum uncertainty using magic states

NASA Astrophysics Data System (ADS)

Howard, Mark

2015-04-01

We prove that magic states from the Clifford hierarchy give optimal solutions for tasks involving nonlocality and entropic uncertainty with respect to Pauli measurements. For both the nonlocality and uncertainty tasks, stabilizer states are the worst possible pure states, so our solutions have an operational interpretation as being highly nonstabilizer. The optimal strategy for a qudit version of the Clauser-Horne-Shimony-Holt game in prime dimensions is achieved by measuring maximally entangled states that are isomorphic to single-qudit magic states. These magic states have an appealingly simple form, and our proof shows that they are "balanced" with respect to all but one of the mutually unbiased stabilizer bases. Of all equatorial qudit states, magic states minimize the average entropic uncertainties for collision entropy and also, for small prime dimensions, min-entropy, a fact that may have implications for cryptography.

Three faces of entropy for complex systems: Information, thermodynamics, and the maximum entropy principle

NASA Astrophysics Data System (ADS)

Thurner, Stefan; Corominas-Murtra, Bernat; Hanel, Rudolf

2017-09-01

There are at least three distinct ways to conceptualize entropy: entropy as an extensive thermodynamic quantity of physical systems (Clausius, Boltzmann, Gibbs), entropy as a measure for information production of ergodic sources (Shannon), and entropy as a means for statistical inference on multinomial processes (Jaynes maximum entropy principle). Even though these notions represent fundamentally different concepts, the functional form of the entropy for thermodynamic systems in equilibrium, for ergodic sources in information theory, and for independent sampling processes in statistical systems, is degenerate, H (p ) =-∑ipilogpi . For many complex systems, which are typically history-dependent, nonergodic, and nonmultinomial, this is no longer the case. Here we show that for such processes, the three entropy concepts lead to different functional forms of entropy, which we will refer to as SEXT for extensive entropy, SIT for the source information rate in information theory, and SMEP for the entropy functional that appears in the so-called maximum entropy principle, which characterizes the most likely observable distribution functions of a system. We explicitly compute these three entropy functionals for three concrete examples: for Pólya urn processes, which are simple self-reinforcing processes, for sample-space-reducing (SSR) processes, which are simple history dependent processes that are associated with power-law statistics, and finally for multinomial mixture processes.

Efficient option valuation of single and double barrier options

NASA Astrophysics Data System (ADS)

Kabaivanov, Stanimir; Milev, Mariyan; Koleva-Petkova, Dessislava; Vladev, Veselin

2017-12-01

In this paper we present an implementation of pricing algorithm for single and double barrier options using Mellin transformation with Maximum Entropy Inversion and its suitability for real-world applications. A detailed analysis of the applied algorithm is accompanied by implementation in C++ that is then compared to existing solutions in terms of efficiency and computational power. We then compare the applied method with existing closed-form solutions and well known methods of pricing barrier options that are based on finite differences.

Maximum-entropy probability distributions under Lp-norm constraints

NASA Technical Reports Server (NTRS)

Dolinar, S.

1991-01-01

Continuous probability density functions and discrete probability mass functions are tabulated which maximize the differential entropy or absolute entropy, respectively, among all probability distributions with a given L sub p norm (i.e., a given pth absolute moment when p is a finite integer) and unconstrained or constrained value set. Expressions for the maximum entropy are evaluated as functions of the L sub p norm. The most interesting results are obtained and plotted for unconstrained (real valued) continuous random variables and for integer valued discrete random variables. The maximum entropy expressions are obtained in closed form for unconstrained continuous random variables, and in this case there is a simple straight line relationship between the maximum differential entropy and the logarithm of the L sub p norm. Corresponding expressions for arbitrary discrete and constrained continuous random variables are given parametrically; closed form expressions are available only for special cases. However, simpler alternative bounds on the maximum entropy of integer valued discrete random variables are obtained by applying the differential entropy results to continuous random variables which approximate the integer valued random variables in a natural manner. All the results are presented in an integrated framework that includes continuous and discrete random variables, constraints on the permissible value set, and all possible values of p. Understanding such as this is useful in evaluating the performance of data compression schemes.

The maximum entropy production principle: two basic questions.

PubMed

Martyushev, Leonid M

2010-05-12

The overwhelming majority of maximum entropy production applications to ecological and environmental systems are based on thermodynamics and statistical physics. Here, we discuss briefly maximum entropy production principle and raises two questions: (i) can this principle be used as the basis for non-equilibrium thermodynamics and statistical mechanics and (ii) is it possible to 'prove' the principle? We adduce one more proof which is most concise today.

The maximum entropy production and maximum Shannon information entropy in enzyme kinetics

NASA Astrophysics Data System (ADS)

Dobovišek, Andrej; Markovič, Rene; Brumen, Milan; Fajmut, Aleš

2018-04-01

We demonstrate that the maximum entropy production principle (MEPP) serves as a physical selection principle for the description of the most probable non-equilibrium steady states in simple enzymatic reactions. A theoretical approach is developed, which enables maximization of the density of entropy production with respect to the enzyme rate constants for the enzyme reaction in a steady state. Mass and Gibbs free energy conservations are considered as optimization constraints. In such a way computed optimal enzyme rate constants in a steady state yield also the most uniform probability distribution of the enzyme states. This accounts for the maximal Shannon information entropy. By means of the stability analysis it is also demonstrated that maximal density of entropy production in that enzyme reaction requires flexible enzyme structure, which enables rapid transitions between different enzyme states. These results are supported by an example, in which density of entropy production and Shannon information entropy are numerically maximized for the enzyme Glucose Isomerase.

Efficient algorithms and implementations of entropy-based moment closures for rarefied gases

NASA Astrophysics Data System (ADS)

Schaerer, Roman Pascal; Bansal, Pratyuksh; Torrilhon, Manuel

2017-07-01

We present efficient algorithms and implementations of the 35-moment system equipped with the maximum-entropy closure in the context of rarefied gases. While closures based on the principle of entropy maximization have been shown to yield very promising results for moderately rarefied gas flows, the computational cost of these closures is in general much higher than for closure theories with explicit closed-form expressions of the closing fluxes, such as Grad's classical closure. Following a similar approach as Garrett et al. (2015) [13], we investigate efficient implementations of the computationally expensive numerical quadrature method used for the moment evaluations of the maximum-entropy distribution by exploiting its inherent fine-grained parallelism with the parallelism offered by multi-core processors and graphics cards. We show that using a single graphics card as an accelerator allows speed-ups of two orders of magnitude when compared to a serial CPU implementation. To accelerate the time-to-solution for steady-state problems, we propose a new semi-implicit time discretization scheme. The resulting nonlinear system of equations is solved with a Newton type method in the Lagrange multipliers of the dual optimization problem in order to reduce the computational cost. Additionally, fully explicit time-stepping schemes of first and second order accuracy are presented. We investigate the accuracy and efficiency of the numerical schemes for several numerical test cases, including a steady-state shock-structure problem.

Exact results of 1D traffic cellular automata: The low-density behavior of the Fukui-Ishibashi model

NASA Astrophysics Data System (ADS)

Salcido, Alejandro; Hernández-Zapata, Ernesto; Carreón-Sierra, Susana

2018-03-01

The maximum entropy states of the cellular automata models for traffic flow in a single-lane with no anticipation are presented and discussed. The exact analytical solutions for the low-density behavior of the stochastic Fukui-Ishibashi traffic model were obtained and compared with computer simulations of the model. An excellent agreement was found.

Nonadditive entropy maximization is inconsistent with Bayesian updating

NASA Astrophysics Data System (ADS)

Pressé, Steve

2014-11-01

The maximum entropy method—used to infer probabilistic models from data—is a special case of Bayes's model inference prescription which, in turn, is grounded in basic propositional logic. By contrast to the maximum entropy method, the compatibility of nonadditive entropy maximization with Bayes's model inference prescription has never been established. Here we demonstrate that nonadditive entropy maximization is incompatible with Bayesian updating and discuss the immediate implications of this finding. We focus our attention on special cases as illustrations.

Nonadditive entropy maximization is inconsistent with Bayesian updating.

PubMed

Pressé, Steve

2014-11-01

The maximum entropy method-used to infer probabilistic models from data-is a special case of Bayes's model inference prescription which, in turn, is grounded in basic propositional logic. By contrast to the maximum entropy method, the compatibility of nonadditive entropy maximization with Bayes's model inference prescription has never been established. Here we demonstrate that nonadditive entropy maximization is incompatible with Bayesian updating and discuss the immediate implications of this finding. We focus our attention on special cases as illustrations.

DEM interpolation weight calculation modulus based on maximum entropy

NASA Astrophysics Data System (ADS)

Chen, Tian-wei; Yang, Xia

2015-12-01

There is negative-weight in traditional interpolation of gridding DEM, in the article, the principle of Maximum Entropy is utilized to analyze the model system which depends on modulus of space weight. Negative-weight problem of the DEM interpolation is researched via building Maximum Entropy model, and adding nonnegative, first and second order's Moment constraints, the negative-weight problem is solved. The correctness and accuracy of the method was validated with genetic algorithm in matlab program. The method is compared with the method of Yang Chizhong interpolation and quadratic program. Comparison shows that the volume and scaling of Maximum Entropy's weight is fit to relations of space and the accuracy is superior to the latter two.

Monitoring of Time-Dependent System Profiles by Multiplex Gas Chromatography with Maximum Entropy Demodulation

NASA Technical Reports Server (NTRS)

Becker, Joseph F.; Valentin, Jose

1996-01-01

The maximum entropy technique was successfully applied to the deconvolution of overlapped chromatographic peaks. An algorithm was written in which the chromatogram was represented as a vector of sample concentrations multiplied by a peak shape matrix. Simulation results demonstrated that there is a trade off between the detector noise and peak resolution in the sense that an increase of the noise level reduced the peak separation that could be recovered by the maximum entropy method. Real data originated from a sample storage column was also deconvoluted using maximum entropy. Deconvolution is useful in this type of system because the conservation of time dependent profiles depends on the band spreading processes in the chromatographic column, which might smooth out the finer details in the concentration profile. The method was also applied to the deconvolution of previously interpretted Pioneer Venus chromatograms. It was found in this case that the correct choice of peak shape function was critical to the sensitivity of maximum entropy in the reconstruction of these chromatograms.

On the Five-Moment Hamburger Maximum Entropy Reconstruction

NASA Astrophysics Data System (ADS)

Summy, D. P.; Pullin, D. I.

2018-05-01

We consider the Maximum Entropy Reconstruction (MER) as a solution to the five-moment truncated Hamburger moment problem in one dimension. In the case of five monomial moment constraints, the probability density function (PDF) of the MER takes the form of the exponential of a quartic polynomial. This implies a possible bimodal structure in regions of moment space. An analytical model is developed for the MER PDF applicable near a known singular line in a centered, two-component, third- and fourth-order moment (μ _3 , μ _4 ) space, consistent with the general problem of five moments. The model consists of the superposition of a perturbed, centered Gaussian PDF and a small-amplitude packet of PDF-density, called the outlying moment packet (OMP), sitting far from the mean. Asymptotic solutions are obtained which predict the shape of the perturbed Gaussian and both the amplitude and position on the real line of the OMP. The asymptotic solutions show that the presence of the OMP gives rise to an MER solution that is singular along a line in (μ _3 , μ _4 ) space emanating from, but not including, the point representing a standard normal distribution, or thermodynamic equilibrium. We use this analysis of the OMP to develop a numerical regularization of the MER, creating a procedure we call the Hybrid MER (HMER). Compared with the MER, the HMER is a significant improvement in terms of robustness and efficiency while preserving accuracy in its prediction of other important distribution features, such as higher order moments.

Convex Accelerated Maximum Entropy Reconstruction

PubMed Central

Worley, Bradley

2016-01-01

Maximum entropy (MaxEnt) spectral reconstruction methods provide a powerful framework for spectral estimation of nonuniformly sampled datasets. Many methods exist within this framework, usually defined based on the magnitude of a Lagrange multiplier in the MaxEnt objective function. An algorithm is presented here that utilizes accelerated first-order convex optimization techniques to rapidly and reliably reconstruct nonuniformly sampled NMR datasets using the principle of maximum entropy. This algorithm – called CAMERA for Convex Accelerated Maximum Entropy Reconstruction Algorithm – is a new approach to spectral reconstruction that exhibits fast, tunable convergence in both constant-aim and constant-lambda modes. A high-performance, open source NMR data processing tool is described that implements CAMERA, and brief comparisons to existing reconstruction methods are made on several example spectra. PMID:26894476

Entropy-based goodness-of-fit test: Application to the Pareto distribution

NASA Astrophysics Data System (ADS)

Lequesne, Justine

2013-08-01

Goodness-of-fit tests based on entropy have been introduced in [13] for testing normality. The maximum entropy distribution in a class of probability distributions defined by linear constraints induces a Pythagorean equality between the Kullback-Leibler information and an entropy difference. This allows one to propose a goodness-of-fit test for maximum entropy parametric distributions which is based on the Kullback-Leibler information. We will focus on the application of the method to the Pareto distribution. The power of the proposed test is computed through Monte Carlo simulation.

How multiplicity determines entropy and the derivation of the maximum entropy principle for complex systems.

PubMed

Hanel, Rudolf; Thurner, Stefan; Gell-Mann, Murray

2014-05-13

The maximum entropy principle (MEP) is a method for obtaining the most likely distribution functions of observables from statistical systems by maximizing entropy under constraints. The MEP has found hundreds of applications in ergodic and Markovian systems in statistical mechanics, information theory, and statistics. For several decades there has been an ongoing controversy over whether the notion of the maximum entropy principle can be extended in a meaningful way to nonextensive, nonergodic, and complex statistical systems and processes. In this paper we start by reviewing how Boltzmann-Gibbs-Shannon entropy is related to multiplicities of independent random processes. We then show how the relaxation of independence naturally leads to the most general entropies that are compatible with the first three Shannon-Khinchin axioms, the (c,d)-entropies. We demonstrate that the MEP is a perfectly consistent concept for nonergodic and complex statistical systems if their relative entropy can be factored into a generalized multiplicity and a constraint term. The problem of finding such a factorization reduces to finding an appropriate representation of relative entropy in a linear basis. In a particular example we show that path-dependent random processes with memory naturally require specific generalized entropies. The example is to our knowledge the first exact derivation of a generalized entropy from the microscopic properties of a path-dependent random process.

Thermodynamic studies of aqueous and CCl4 solutions of 15-crown-5 at 298.15 K: an application of McMillan-Mayer and Kirkwood-Buff theories of solutions.

PubMed

Dagade, Dilip H; Shetake, Poonam K; Patil, Kesharsingh J

2007-07-05

The density and osmotic coefficient data for solutions of 15-crown-5 (15C5) in water and in CCl4 solvent systems at 298.15 K have been reported using techniques of densitometry and vapor pressure osmometry in the concentration range of 0.01-2 mol kg-1. The data are used to obtain apparent molar and partial molar volumes, activity coefficients of the components as a function of 15C5 concentration. Using the literature heat of dilution data for aqueous system, it has become possible to calculate entropy of mixing (DeltaS(mix)), excess entropy of solution (DeltaS(E)), and partial molar entropies of the components at different concentrations. The results of all these are compared to those obtained for aqueous 18-crown-6 solutions reported earlier. It has been observed that the partial molar volume of 15C5 goes through a minimum and that of water goes through a maximum at approximately 1.2 mol kg(-1) in aqueous solutions whereas the opposite is true in CCl4 medium but at approximately 0.5 mol kg(-1). The osmotic and activity coefficients of 15C5 and excess free energy change for solution exhibit distinct differences in the two solvent systems studied. These results have been explained in terms of hydrophobic hydration and interactions in aqueous solution while weak solvophobic association of 15C5 molecules in CCl4 solutions is proposed. The data are further subjected to analysis by applying McMillan-Mayer and Kirkwood-Buff theories of solutions. The analysis shows that osmotic second virial coefficient value for 15C5 is marginally less than that of 18C6 indicating that reduction in ring flexibility does not affect the energetics of the interactions much in aqueous solution while the same gets influenced much in nonpolar solvent CCl4.

On the Consequences of Clausius-Duhem Inequality for Electrolyte Solutions

NASA Astrophysics Data System (ADS)

Reis, Martina; Bassi, Adalberto Bono Maurizio Sacchi

2014-03-01

Based on the fundamentals of thermo-statics, non-equilibrium thermodynamics theories frequently employ an entropy inequality, where the entropy flux is collinear to the heat flux, and the entropy supply is proportional to the energy supply. Although this assumption is suitable for many material bodies, e.g. heat-conducting viscous fluids, there is a class of materials for which these assumptions are not valid. By assuming that the entropy flux and the entropy supply are constitutive quantities, in this work it is demonstrated that the entropy flux for a reacting ionic mixture of non-volatile solutes presents a non-collinear term due to the diffusive fluxes. The consequences of the collinearity between the entropy flux and the heat flux, as well as the proportionality of the entropy supply and the energy supply on the stability of chemical systems are also investigated. Furthermore, by considering an electrolyte solution of non-volatile solutes in phase equilibrium with water vapor, and the constitutive nature of the entropy flux, the stability of a vapor-electrolyte solution interface is studied. Despite this work only deals with electrolyte solutions, the results presented can be easily extended to more complex chemical reacting systems. The first author acknowledges financial support from CNPq (National Counsel of Technological and Scientific Development).

Bayesian or Laplacien inference, entropy and information theory and information geometry in data and signal processing

NASA Astrophysics Data System (ADS)

Mohammad-Djafari, Ali

2015-01-01

The main object of this tutorial article is first to review the main inference tools using Bayesian approach, Entropy, Information theory and their corresponding geometries. This review is focused mainly on the ways these tools have been used in data, signal and image processing. After a short introduction of the different quantities related to the Bayes rule, the entropy and the Maximum Entropy Principle (MEP), relative entropy and the Kullback-Leibler divergence, Fisher information, we will study their use in different fields of data and signal processing such as: entropy in source separation, Fisher information in model order selection, different Maximum Entropy based methods in time series spectral estimation and finally, general linear inverse problems.

Direct comparison of phase-sensitive vibrational sum frequency generation with maximum entropy method: case study of water.

PubMed

de Beer, Alex G F; Samson, Jean-Sebastièn; Hua, Wei; Huang, Zishuai; Chen, Xiangke; Allen, Heather C; Roke, Sylvie

2011-12-14

We present a direct comparison of phase sensitive sum-frequency generation experiments with phase reconstruction obtained by the maximum entropy method. We show that both methods lead to the same complex spectrum. Furthermore, we discuss the strengths and weaknesses of each of these methods, analyzing possible sources of experimental and analytical errors. A simulation program for maximum entropy phase reconstruction is available at: http://lbp.epfl.ch/. © 2011 American Institute of Physics

Consistent maximum entropy representations of pipe flow networks

NASA Astrophysics Data System (ADS)

Waldrip, Steven H.; Niven, Robert K.; Abel, Markus; Schlegel, Michael

2017-06-01

The maximum entropy method is used to predict flows on water distribution networks. This analysis extends the water distribution network formulation of Waldrip et al. (2016) Journal of Hydraulic Engineering (ASCE), by the use of a continuous relative entropy defined on a reduced parameter set. This reduction in the parameters that the entropy is defined over ensures consistency between different representations of the same network. The performance of the proposed reduced parameter method is demonstrated with a one-loop network case study.

Application of maximum entropy to statistical inference for inversion of data from a single track segment.

PubMed

Stotts, Steven A; Koch, Robert A

2017-08-01

In this paper an approach is presented to estimate the constraint required to apply maximum entropy (ME) for statistical inference with underwater acoustic data from a single track segment. Previous algorithms for estimating the ME constraint require multiple source track segments to determine the constraint. The approach is relevant for addressing model mismatch effects, i.e., inaccuracies in parameter values determined from inversions because the propagation model does not account for all acoustic processes that contribute to the measured data. One effect of model mismatch is that the lowest cost inversion solution may be well outside a relatively well-known parameter value's uncertainty interval (prior), e.g., source speed from track reconstruction or towed source levels. The approach requires, for some particular parameter value, the ME constraint to produce an inferred uncertainty interval that encompasses the prior. Motivating this approach is the hypothesis that the proposed constraint determination procedure would produce a posterior probability density that accounts for the effect of model mismatch on inferred values of other inversion parameters for which the priors might be quite broad. Applications to both measured and simulated data are presented for model mismatch that produces minimum cost solutions either inside or outside some priors.

Maximum entropy approach to statistical inference for an ocean acoustic waveguide.

PubMed

Knobles, D P; Sagers, J D; Koch, R A

2012-02-01

A conditional probability distribution suitable for estimating the statistical properties of ocean seabed parameter values inferred from acoustic measurements is derived from a maximum entropy principle. The specification of the expectation value for an error function constrains the maximization of an entropy functional. This constraint determines the sensitivity factor (β) to the error function of the resulting probability distribution, which is a canonical form that provides a conservative estimate of the uncertainty of the parameter values. From the conditional distribution, marginal distributions for individual parameters can be determined from integration over the other parameters. The approach is an alternative to obtaining the posterior probability distribution without an intermediary determination of the likelihood function followed by an application of Bayes' rule. In this paper the expectation value that specifies the constraint is determined from the values of the error function for the model solutions obtained from a sparse number of data samples. The method is applied to ocean acoustic measurements taken on the New Jersey continental shelf. The marginal probability distribution for the values of the sound speed ratio at the surface of the seabed and the source levels of a towed source are examined for different geoacoustic model representations. © 2012 Acoustical Society of America

Maximum entropy production: Can it be used to constrain conceptual hydrological models?

Treesearch

M.C. Westhoff; E. Zehe

2013-01-01

In recent years, optimality principles have been proposed to constrain hydrological models. The principle of maximum entropy production (MEP) is one of the proposed principles and is subject of this study. It states that a steady state system is organized in such a way that entropy production is maximized. Although successful applications have been reported in...

Experimental heat capacities, excess entropies, and magnetic properties of bulk and nano Fe3O4-Co3O4 and Fe3O4-Mn3O4 spinel solid solutions

NASA Astrophysics Data System (ADS)

Schliesser, Jacob M.; Huang, Baiyu; Sahu, Sulata K.; Asplund, Megan; Navrotsky, Alexandra; Woodfield, Brian F.

2018-03-01

We have measured the heat capacities of several well-characterized bulk and nanophase Fe3O4-Co3O4 and Fe3O4-Mn3O4 spinel solid solution samples from which magnetic properties of transitions and third-law entropies have been determined. The magnetic transitions show several features common to effects of particle and magnetic domain sizes. From the standard molar entropies, excess entropies of mixing have been generated for these solid solutions and compared with configurational entropies determined previously by assuming appropriate cation and valence distributions. The vibrational and magnetic excess entropies for bulk materials are comparable in magnitude to the respective configurational entropies indicating that excess entropies of mixing must be included when analyzing entropies of mixing. The excess entropies for nanophase materials are even larger than the configurational entropies. Changes in valence, cation distribution, bonding and microstructure between the mixing ions are the likely sources of the positive excess entropies of mixing.

On the statistical equivalence of restrained-ensemble simulations with the maximum entropy method

PubMed Central

Roux, Benoît; Weare, Jonathan

2013-01-01

An issue of general interest in computer simulations is to incorporate information from experiments into a structural model. An important caveat in pursuing this goal is to avoid corrupting the resulting model with spurious and arbitrary biases. While the problem of biasing thermodynamic ensembles can be formulated rigorously using the maximum entropy method introduced by Jaynes, the approach can be cumbersome in practical applications with the need to determine multiple unknown coefficients iteratively. A popular alternative strategy to incorporate the information from experiments is to rely on restrained-ensemble molecular dynamics simulations. However, the fundamental validity of this computational strategy remains in question. Here, it is demonstrated that the statistical distribution produced by restrained-ensemble simulations is formally consistent with the maximum entropy method of Jaynes. This clarifies the underlying conditions under which restrained-ensemble simulations will yield results that are consistent with the maximum entropy method. PMID:23464140

Ergodicity, configurational entropy and free energy in pigment solutions and plant photosystems: influence of excited state lifetime.

PubMed

Jennings, Robert C; Zucchelli, Giuseppe

2014-01-01

We examine ergodicity and configurational entropy for a dilute pigment solution and for a suspension of plant photosystem particles in which both ground and excited state pigments are present. It is concluded that the pigment solution, due to the extreme brevity of the excited state lifetime, is non-ergodic and the configurational entropy approaches zero. Conversely, due to the rapid energy transfer among pigments, each photosystem is ergodic and the configurational entropy is positive. This decreases the free energy of the single photosystem pigment array by a small amount. On the other hand, the suspension of photosystems is non-ergodic and the configurational entropy approaches zero. The overall configurational entropy which, in principle, includes contributions from both the single excited photosystems and the suspension which contains excited photosystems, also approaches zero. Thus the configurational entropy upon photon absorption by either a pigment solution or a suspension of photosystem particles is approximately zero. Copyright © 2014 Elsevier B.V. All rights reserved.

Maximum and minimum entropy states yielding local continuity bounds

NASA Astrophysics Data System (ADS)

Hanson, Eric P.; Datta, Nilanjana

2018-04-01

Given an arbitrary quantum state (σ), we obtain an explicit construction of a state ρɛ * ( σ ) [respectively, ρ * , ɛ ( σ ) ] which has the maximum (respectively, minimum) entropy among all states which lie in a specified neighborhood (ɛ-ball) of σ. Computing the entropy of these states leads to a local strengthening of the continuity bound of the von Neumann entropy, i.e., the Audenaert-Fannes inequality. Our bound is local in the sense that it depends on the spectrum of σ. The states ρɛ * ( σ ) and ρ * , ɛ (σ) depend only on the geometry of the ɛ-ball and are in fact optimizers for a larger class of entropies. These include the Rényi entropy and the minimum- and maximum-entropies, providing explicit formulas for certain smoothed quantities. This allows us to obtain local continuity bounds for these quantities as well. In obtaining this bound, we first derive a more general result which may be of independent interest, namely, a necessary and sufficient condition under which a state maximizes a concave and Gâteaux-differentiable function in an ɛ-ball around a given state σ. Examples of such a function include the von Neumann entropy and the conditional entropy of bipartite states. Our proofs employ tools from the theory of convex optimization under non-differentiable constraints, in particular Fermat's rule, and majorization theory.

Fast and Efficient Stochastic Optimization for Analytic Continuation

DOE PAGES

Bao, Feng; Zhang, Guannan; Webster, Clayton G; ...

2016-09-28

In this analytic continuation of imaginary-time quantum Monte Carlo data to extract real-frequency spectra remains a key problem in connecting theory with experiment. Here we present a fast and efficient stochastic optimization method (FESOM) as a more accessible variant of the stochastic optimization method introduced by Mishchenko et al. [Phys. Rev. B 62, 6317 (2000)], and we benchmark the resulting spectra with those obtained by the standard maximum entropy method for three representative test cases, including data taken from studies of the two-dimensional Hubbard model. Genearally, we find that our FESOM approach yields spectra similar to the maximum entropy results.more » In particular, while the maximum entropy method yields superior results when the quality of the data is strong, we find that FESOM is able to resolve fine structure with more detail when the quality of the data is poor. In addition, because of its stochastic nature, the method provides detailed information on the frequency-dependent uncertainty of the resulting spectra, while the maximum entropy method does so only for the spectral weight integrated over a finite frequency region. Therefore, we believe that this variant of the stochastic optimization approach provides a viable alternative to the routinely used maximum entropy method, especially for data of poor quality.« less

Crowd macro state detection using entropy model

NASA Astrophysics Data System (ADS)

Zhao, Ying; Yuan, Mengqi; Su, Guofeng; Chen, Tao

2015-08-01

In the crowd security research area a primary concern is to identify the macro state of crowd behaviors to prevent disasters and to supervise the crowd behaviors. The entropy is used to describe the macro state of a self-organization system in physics. The entropy change indicates the system macro state change. This paper provides a method to construct crowd behavior microstates and the corresponded probability distribution using the individuals' velocity information (magnitude and direction). Then an entropy model was built up to describe the crowd behavior macro state. Simulation experiments and video detection experiments were conducted. It was verified that in the disordered state, the crowd behavior entropy is close to the theoretical maximum entropy; while in ordered state, the entropy is much lower than half of the theoretical maximum entropy. The crowd behavior macro state sudden change leads to the entropy change. The proposed entropy model is more applicable than the order parameter model in crowd behavior detection. By recognizing the entropy mutation, it is possible to detect the crowd behavior macro state automatically by utilizing cameras. Results will provide data support on crowd emergency prevention and on emergency manual intervention.

Block entropy and quantum phase transition in the anisotropic Kondo necklace model

NASA Astrophysics Data System (ADS)

Mendoza-Arenas, J. J.; Franco, R.; Silva-Valencia, J.

2010-06-01

We study the von Neumann block entropy in the Kondo necklace model for different anisotropies η in the XY interaction between conduction spins using the density matrix renormalization group method. It was found that the block entropy presents a maximum for each η considered, and, comparing it with the results of the quantum criticality of the model based on the behavior of the energy gap, we observe that the maximum block entropy occurs at the quantum critical point between an antiferromagnetic and a Kondo singlet state, so this measure of entanglement is useful for giving information about where a quantum phase transition occurs in this model. We observe that the block entropy also presents a maximum at the quantum critical points that are obtained when an anisotropy Δ is included in the Kondo exchange between localized and conduction spins; when Δ diminishes for a fixed value of η, the critical point increases, favoring the antiferromagnetic phase.

Two-Dimensional Signal Processing and Storage and Theory and Applications of Electromagnetic Measurements.

DTIC Science & Technology

1987-01-01

the results of that problem to be applied to deblurring . Four procedures for finding the maximum entropy solution have been developed and have becn...distortion operator h, converges quadratically to an impulse and, as a result, the restoration x, converges quadratically to x. Therefore, when the standard...is concerned with the modeling of a * signal as the sum of sinusoids in white noise where the sinusoidal frequencies are varying as a function of time

Bifunctional Rhodamine Probes of Myosin Regulatory Light Chain Orientation in Relaxed Skeletal Muscle Fibers

PubMed Central

Brack, Andrew S.; Brandmeier, Birgit D.; Ferguson, Roisean E.; Criddle, Susan; Dale, Robert E.; Irving, Malcolm

2004-01-01

The orientation of the regulatory light chain (RLC) region of the myosin heads in relaxed skinned fibers from rabbit psoas muscle was investigated by polarized fluorescence from bifunctional rhodamine (BR) probes cross-linking pairs of cysteine residues introduced into the RLC. Pure 1:1 BR-RLC complexes were exchanged into single muscle fibers in EDTA rigor solution for 30 min at 30°C; ∼60% of the native RLC was removed and stoichiometrically replaced by BR-RLC, and >85% of the BR-RLC was located in the sarcomeric A-bands. The second- and fourth-rank order parameters of the orientation distributions of BR dipoles linking RLC cysteine pairs 100-108, 100-113, 108-113, and 104-115 were calculated from polarized fluorescence intensities, and used to determine the smoothest RLC orientation distribution—the maximum entropy distribution—consistent with the polarized fluorescence data. Maximum entropy distributions in relaxed muscle were relatively broad. At the peak of the distribution, the “lever” axis, linking Cys707 and Lys843 of the myosin heavy chain, was at 70–80° to the fiber axis, and the “hook” helix (Pro830–Lys843) was almost coplanar with the fiber and lever axes. The temperature and ionic strength of the relaxing solution had small but reproducible effects on the orientation of the RLC region. PMID:15041671

Tsallis Entropy and the Transition to Scaling in Fragmentation

NASA Astrophysics Data System (ADS)

Sotolongo-Costa, Oscar; Rodriguez, Arezky H.; Rodgers, G. J.

2000-12-01

By using the maximum entropy principle with Tsallis entropy we obtain a fragment size distribution function which undergoes a transition to scaling. This distribution function reduces to those obtained by other authors using Shannon entropy. The treatment is easily generalisable to any process of fractioning with suitable constraints.

A pairwise maximum entropy model accurately describes resting-state human brain networks

PubMed Central

Watanabe, Takamitsu; Hirose, Satoshi; Wada, Hiroyuki; Imai, Yoshio; Machida, Toru; Shirouzu, Ichiro; Konishi, Seiki; Miyashita, Yasushi; Masuda, Naoki

2013-01-01

The resting-state human brain networks underlie fundamental cognitive functions and consist of complex interactions among brain regions. However, the level of complexity of the resting-state networks has not been quantified, which has prevented comprehensive descriptions of the brain activity as an integrative system. Here, we address this issue by demonstrating that a pairwise maximum entropy model, which takes into account region-specific activity rates and pairwise interactions, can be robustly and accurately fitted to resting-state human brain activities obtained by functional magnetic resonance imaging. Furthermore, to validate the approximation of the resting-state networks by the pairwise maximum entropy model, we show that the functional interactions estimated by the pairwise maximum entropy model reflect anatomical connexions more accurately than the conventional functional connectivity method. These findings indicate that a relatively simple statistical model not only captures the structure of the resting-state networks but also provides a possible method to derive physiological information about various large-scale brain networks. PMID:23340410

Multipoint Optimal Minimum Entropy Deconvolution and Convolution Fix: Application to vibration fault detection

NASA Astrophysics Data System (ADS)

McDonald, Geoff L.; Zhao, Qing

2017-01-01

Minimum Entropy Deconvolution (MED) has been applied successfully to rotating machine fault detection from vibration data, however this method has limitations. A convolution adjustment to the MED definition and solution is proposed in this paper to address the discontinuity at the start of the signal - in some cases causing spurious impulses to be erroneously deconvolved. A problem with the MED solution is that it is an iterative selection process, and will not necessarily design an optimal filter for the posed problem. Additionally, the problem goal in MED prefers to deconvolve a single-impulse, while in rotating machine faults we expect one impulse-like vibration source per rotational period of the faulty element. Maximum Correlated Kurtosis Deconvolution was proposed to address some of these problems, and although it solves the target goal of multiple periodic impulses, it is still an iterative non-optimal solution to the posed problem and only solves for a limited set of impulses in a row. Ideally, the problem goal should target an impulse train as the output goal, and should directly solve for the optimal filter in a non-iterative manner. To meet these goals, we propose a non-iterative deconvolution approach called Multipoint Optimal Minimum Entropy Deconvolution Adjusted (MOMEDA). MOMEDA proposes a deconvolution problem with an infinite impulse train as the goal and the optimal filter solution can be solved for directly. From experimental data on a gearbox with and without a gear tooth chip, we show that MOMEDA and its deconvolution spectrums according to the period between the impulses can be used to detect faults and study the health of rotating machine elements effectively.

Methodes entropiques appliquees au probleme inverse en magnetoencephalographie

NASA Astrophysics Data System (ADS)

Lapalme, Ervig

2005-07-01

This thesis is devoted to biomagnetic source localization using magnetoencephalography. This problem is known to have an infinite number of solutions. So methods are required to take into account anatomical and functional information on the solution. The work presented in this thesis uses the maximum entropy on the mean method to constrain the solution. This method originates from statistical mechanics and information theory. This thesis is divided into two main parts containing three chapters each. The first part reviews the magnetoencephalographic inverse problem: the theory needed to understand its context and the hypotheses for simplifying the problem. In the last chapter of this first part, the maximum entropy on the mean method is presented: its origins are explained and also how it is applied to our problem. The second part is the original work of this thesis presenting three articles; one of them already published and two others submitted for publication. In the first article, a biomagnetic source model is developed and applied in a theoretical con text but still demonstrating the efficiency of the method. In the second article, we go one step further towards a realistic modelization of the cerebral activation. The main priors are estimated using the magnetoencephalographic data. This method proved to be very efficient in realistic simulations. In the third article, the previous method is extended to deal with time signals thus exploiting the excellent time resolution offered by magnetoencephalography. Compared with our previous work, the temporal method is applied to real magnetoencephalographic data coming from a somatotopy experience and results agree with previous physiological knowledge about this kind of cognitive process.

Large time behavior of entropy solutions to one-dimensional unipolar hydrodynamic model for semiconductor devices

NASA Astrophysics Data System (ADS)

Huang, Feimin; Li, Tianhong; Yu, Huimin; Yuan, Difan

2018-06-01

We are concerned with the global existence and large time behavior of entropy solutions to the one-dimensional unipolar hydrodynamic model for semiconductors in the form of Euler-Poisson equations in a bounded interval. In this paper, we first prove the global existence of entropy solution by vanishing viscosity and compensated compactness framework. In particular, the solutions are uniformly bounded with respect to space and time variables by introducing modified Riemann invariants and the theory of invariant region. Based on the uniform estimates of density, we further show that the entropy solution converges to the corresponding unique stationary solution exponentially in time. No any smallness condition is assumed on the initial data and doping profile. Moreover, the novelty in this paper is about the unform bound with respect to time for the weak solutions of the isentropic Euler-Poisson system.

Infrared image segmentation method based on spatial coherence histogram and maximum entropy

NASA Astrophysics Data System (ADS)

Liu, Songtao; Shen, Tongsheng; Dai, Yao

2014-11-01

In order to segment the target well and suppress background noises effectively, an infrared image segmentation method based on spatial coherence histogram and maximum entropy is proposed. First, spatial coherence histogram is presented by weighting the importance of the different position of these pixels with the same gray-level, which is obtained by computing their local density. Then, after enhancing the image by spatial coherence histogram, 1D maximum entropy method is used to segment the image. The novel method can not only get better segmentation results, but also have a faster computation time than traditional 2D histogram-based segmentation methods.

Stationary properties of maximum-entropy random walks.

PubMed

Dixit, Purushottam D

2015-10-01

Maximum-entropy (ME) inference of state probabilities using state-dependent constraints is popular in the study of complex systems. In stochastic systems, how state space topology and path-dependent constraints affect ME-inferred state probabilities remains unknown. To that end, we derive the transition probabilities and the stationary distribution of a maximum path entropy Markov process subject to state- and path-dependent constraints. A main finding is that the stationary distribution over states differs significantly from the Boltzmann distribution and reflects a competition between path multiplicity and imposed constraints. We illustrate our results with particle diffusion on a two-dimensional landscape. Connections with the path integral approach to diffusion are discussed.

Application of Bayesian Maximum Entropy Filter in parameter calibration of groundwater flow model in PingTung Plain

NASA Astrophysics Data System (ADS)

Cheung, Shao-Yong; Lee, Chieh-Han; Yu, Hwa-Lung

2017-04-01

Due to the limited hydrogeological observation data and high levels of uncertainty within, parameter estimation of the groundwater model has been an important issue. There are many methods of parameter estimation, for example, Kalman filter provides a real-time calibration of parameters through measurement of groundwater monitoring wells, related methods such as Extended Kalman Filter and Ensemble Kalman Filter are widely applied in groundwater research. However, Kalman Filter method is limited to linearity. This study propose a novel method, Bayesian Maximum Entropy Filtering, which provides a method that can considers the uncertainty of data in parameter estimation. With this two methods, we can estimate parameter by given hard data (certain) and soft data (uncertain) in the same time. In this study, we use Python and QGIS in groundwater model (MODFLOW) and development of Extended Kalman Filter and Bayesian Maximum Entropy Filtering in Python in parameter estimation. This method may provide a conventional filtering method and also consider the uncertainty of data. This study was conducted through numerical model experiment to explore, combine Bayesian maximum entropy filter and a hypothesis for the architecture of MODFLOW groundwater model numerical estimation. Through the virtual observation wells to simulate and observe the groundwater model periodically. The result showed that considering the uncertainty of data, the Bayesian maximum entropy filter will provide an ideal result of real-time parameters estimation.

Use of the maximum entropy method to retrieve the vertical atmospheric ozone profile and predict atmospheric ozone content

NASA Technical Reports Server (NTRS)

Turner, B. Curtis

1992-01-01

A method is developed for prediction of ozone levels in planetary atmospheres. This method is formulated in terms of error covariance matrices, and is associated with both direct measurements, a priori first guess profiles, and a weighting function matrix. This is described by the following linearized equation: y = A(matrix) x X + eta, where A is the weighting matrix and eta is noise. The problems to this approach are: (1) the A matrix is near singularity; (2) the number of unknowns in the profile exceeds the number of data points, therefore, the solution may not be unique; and (3) even if a unique solution exists, eta may cause the solution to be ill conditioned.

Entropy generation in biophysical systems

NASA Astrophysics Data System (ADS)

Lucia, U.; Maino, G.

2013-03-01

Recently, in theoretical biology and in biophysical engineering the entropy production has been verified to approach asymptotically its maximum rate, by using the probability of individual elementary modes distributed in accordance with the Boltzmann distribution. The basis of this approach is the hypothesis that the entropy production rate is maximum at the stationary state. In the present work, this hypothesis is explained and motivated, starting from the entropy generation analysis. This latter quantity is obtained from the entropy balance for open systems considering the lifetime of the natural real process. The Lagrangian formalism is introduced in order to develop an analytical approach to the thermodynamic analysis of the open irreversible systems. The stationary conditions of the open systems are thus obtained in relation to the entropy generation and the least action principle. Consequently, the considered hypothesis is analytically proved and it represents an original basic approach in theoretical and mathematical biology and also in biophysical engineering. It is worth remarking that the present results show that entropy generation not only increases but increases as fast as possible.

Determining Dynamical Path Distributions usingMaximum Relative Entropy

DTIC Science & Technology

2015-05-31

entropy to a one-dimensional continuum labeled by a parameter η. The resulting η-entropies are equivalent to those proposed by Renyi [12] or by Tsallis [13...1995). [12] A. Renyi , “On measures of entropy and information,”Proc. 4th Berkeley Simposium on Mathematical Statistics and Probability, Vol 1, p. 547-461

Ergodicity, Maximum Entropy Production, and Steepest Entropy Ascent in the Proofs of Onsager's Reciprocal Relations

NASA Astrophysics Data System (ADS)

Benfenati, Francesco; Beretta, Gian Paolo

2018-04-01

We show that to prove the Onsager relations using the microscopic time reversibility one necessarily has to make an ergodic hypothesis, or a hypothesis closely linked to that. This is true in all the proofs of the Onsager relations in the literature: from the original proof by Onsager, to more advanced proofs in the context of linear response theory and the theory of Markov processes, to the proof in the context of the kinetic theory of gases. The only three proofs that do not require any kind of ergodic hypothesis are based on additional hypotheses on the macroscopic evolution: Ziegler's maximum entropy production principle (MEPP), the principle of time reversal invariance of the entropy production, or the steepest entropy ascent principle (SEAP).

Elements of the cognitive universe

NASA Astrophysics Data System (ADS)

Topsøe, Flemming

2017-06-01

"The least biased inference, taking available information into account, is the one with maximum entropy". So we are taught by Jaynes. The many followers from a broad spectrum of the natural and social sciences point to the wisdom of this principle, the maximum entropy principle, MaxEnt. But "entropy" need not be tied only to classical entropy and thus to probabilistic thinking. In fact, the arguments found in Jaynes' writings and elsewhere can, as we shall attempt to demonstrate, profitably be revisited, elaborated and transformed to apply in a much more general abstract setting. The approach is based on game theoretical thinking. Philosophical considerations dealing with notions of cognition - basically truth and belief - lie behind. Quantitative elements are introduced via a concept of description effort. An interpretation of Tsallis Entropy is indicated.

Exploiting the Maximum Entropy Principle to Increase Retrieval Effectiveness.

ERIC Educational Resources Information Center

Cooper, William S.

1983-01-01

Presents information retrieval design approach in which queries of computer-based system consist of sets of terms, either unweighted or weighted with subjective term precision estimates, and retrieval outputs ranked by probability of usefulness estimated by "maximum entropy principle." Boolean and weighted request systems are discussed.…

Exploration of the Maximum Entropy/Optimal Projection Approach to Control Design Synthesis for Large Space Structures.

DTIC Science & Technology

1985-02-01

Energy Analysis , a branch of dynamic modal analysis developed for analyzing acoustic vibration problems, its present stage of development embodies a...Maximum Entropy Stochastic Modelling and Reduced-Order Design Synthesis is a rigorous new approach to this class of problems. Inspired by Statistical

Reconstruction of coded aperture images

NASA Technical Reports Server (NTRS)

Bielefeld, Michael J.; Yin, Lo I.

1987-01-01

Balanced correlation method and the Maximum Entropy Method (MEM) were implemented to reconstruct a laboratory X-ray source as imaged by a Uniformly Redundant Array (URA) system. Although the MEM method has advantages over the balanced correlation method, it is computationally time consuming because of the iterative nature of its solution. Massively Parallel Processing, with its parallel array structure is ideally suited for such computations. These preliminary results indicate that it is possible to use the MEM method in future coded-aperture experiments with the help of the MPP.

Divvy Economies Based On (An Abstract) Temperature

NASA Astrophysics Data System (ADS)

Collins, Dennis G.

2004-04-01

The Leontief Input-Output economic system can provide a model for a one-parameter family of economic systems based on an abstract temperature T. In particular, given a normalized input-output matrix R and taking R= R(1), a family of economic systems R(1/T)=R(α) is developed that represents heating (T>1) and cooling (T<1) of the economy relative to T=1. .The economy for a given value of T represents the solution of a constrained maximum entropy problem.

Enthalpy-entropy compensation for the solubility of drugs in solvent mixtures: paracetamol, acetanilide, and nalidixic acid in dioxane-water.

PubMed

Bustamante, P; Romero, S; Pena, A; Escalera, B; Reillo, A

1998-12-01

In earlier work, a nonlinear enthalpy-entropy compensation was observed for the solubility of phenacetin in dioxane-water mixtures. This effect had not been earlier reported for the solubility of drugs in solvent mixtures. To gain insight into the compensation effect, the behavior of the apparent thermodynamic magnitudes for the solubility of paracetamol, acetanilide, and nalidixic acid is studied in this work. The solubility of these drugs was measured at several temperatures in dioxane-water mixtures. DSC analysis was performed on the original powders and on the solid phases after equilibration with the solvent mixture. The thermal properties of the solid phases did not show significant changes. The three drugs display a solubility maximum against the cosolvent ratio. The solubility peaks of acetanilide and nalidixic acid shift to a more polar region at the higher temperatures. Nonlinear van't Hoff plots were observed for nalidixic acid whereas acetanilide and paracetamol show linear behavior at the temperature range studied. The apparent enthalpies of solution are endothermic going through a maximum at 50% dioxane. Two different mechanisms, entropy and enthalpy, are suggested to be the driving forces that increase the solubility of the three drugs. Solubility is entropy controlled at the water-rich region (0-50% dioxane) and enthalpy controlled at the dioxane-rich region (50-100% dioxane). The enthalpy-entropy compensation analysis also suggests that two different mechanisms, dependent on cosolvent ratio, are involved in the solubility enhancement of the three drugs. The plots of deltaH versus deltaG are nonlinear, and the slope changes from positive to negative above 50% dioxane. The compensation effect for the thermodynamic magnitudes of transfer from water to the aqueous mixtures can be described by a common empirical nonlinear relationship, with the exception of paracetamol, which follows a separate linear relationship at dioxane ratios above 50%. The results corroborate earlier findings with phenacetin. The similar pattern shown by the drugs studied suggests that the nonlinear enthalpy-entropy compensation effect may be characteristic of the solubility of semipolar drugs in dioxane-water mixtures.

Simulations of dissociation constants in low pressure supercritical water

NASA Astrophysics Data System (ADS)

Halstead, S. J.; An, P.; Zhang, S.

2014-09-01

This article reports molecular dynamics simulations of the dissociation of hydrochloric acid and sodium hydroxide in water from ambient to supercritical temperatures at a fixed pressure of 250 atm. Corrosion of reaction vessels is known to be a serious problem of supercritical water, and acid/base dissociation can be a significant contributing factor to this. The SPC/e model was used in conjunction with solute models determined from density functional calculations and OPLSAA Lennard-Jones parameters. Radial distribution functions were calculated, and these show a significant increase in solute-solvent ordering upon forming the product ions at all temperatures. For both dissociations, rapidly decreasing entropy of reaction was found to be the controlling thermodynamic factor, and this is thought to arise due to the ions produced from dissociation maintaining a relatively high density and ordered solvation shell compared to the reactants. The change in entropy of reaction reaches a minimum at the critical temperature. The values of pKa and pKb were calculated and both increased with temperature, in qualitative agreement with other work, until a maximum value at 748 K, after which there was a slight decrease.

Inverting ion images without Abel inversion: maximum entropy reconstruction of velocity maps.

PubMed

Dick, Bernhard

2014-01-14

A new method for the reconstruction of velocity maps from ion images is presented, which is based on the maximum entropy concept. In contrast to other methods used for Abel inversion the new method never applies an inversion or smoothing to the data. Instead, it iteratively finds the map which is the most likely cause for the observed data, using the correct likelihood criterion for data sampled from a Poissonian distribution. The entropy criterion minimizes the information content in this map, which hence contains no information for which there is no evidence in the data. Two implementations are proposed, and their performance is demonstrated with simulated and experimental data: Maximum Entropy Velocity Image Reconstruction (MEVIR) obtains a two-dimensional slice through the velocity distribution and can be compared directly to Abel inversion. Maximum Entropy Velocity Legendre Reconstruction (MEVELER) finds one-dimensional distribution functions Q(l)(v) in an expansion of the velocity distribution in Legendre polynomials P((cos θ) for the angular dependence. Both MEVIR and MEVELER can be used for the analysis of ion images with intensities as low as 0.01 counts per pixel, with MEVELER performing significantly better than MEVIR for images with low intensity. Both methods perform better than pBASEX, in particular for images with less than one average count per pixel.

Classic maximum entropy recovery of the average joint distribution of apparent FRET efficiency and fluorescence photons for single-molecule burst measurements.

PubMed

DeVore, Matthew S; Gull, Stephen F; Johnson, Carey K

2012-04-05

We describe a method for analysis of single-molecule Förster resonance energy transfer (FRET) burst measurements using classic maximum entropy. Classic maximum entropy determines the Bayesian inference for the joint probability describing the total fluorescence photons and the apparent FRET efficiency. The method was tested with simulated data and then with DNA labeled with fluorescent dyes. The most probable joint distribution can be marginalized to obtain both the overall distribution of fluorescence photons and the apparent FRET efficiency distribution. This method proves to be ideal for determining the distance distribution of FRET-labeled biomolecules, and it successfully predicts the shape of the recovered distributions.

Dynamics of non-stationary processes that follow the maximum of the Rényi entropy principle.

PubMed

Shalymov, Dmitry S; Fradkov, Alexander L

2016-01-01

We propose dynamics equations which describe the behaviour of non-stationary processes that follow the maximum Rényi entropy principle. The equations are derived on the basis of the speed-gradient principle originated in the control theory. The maximum of the Rényi entropy principle is analysed for discrete and continuous cases, and both a discrete random variable and probability density function (PDF) are used. We consider mass conservation and energy conservation constraints and demonstrate the uniqueness of the limit distribution and asymptotic convergence of the PDF for both cases. The coincidence of the limit distribution of the proposed equations with the Rényi distribution is examined.

Dynamics of non-stationary processes that follow the maximum of the Rényi entropy principle

PubMed Central

2016-01-01

We propose dynamics equations which describe the behaviour of non-stationary processes that follow the maximum Rényi entropy principle. The equations are derived on the basis of the speed-gradient principle originated in the control theory. The maximum of the Rényi entropy principle is analysed for discrete and continuous cases, and both a discrete random variable and probability density function (PDF) are used. We consider mass conservation and energy conservation constraints and demonstrate the uniqueness of the limit distribution and asymptotic convergence of the PDF for both cases. The coincidence of the limit distribution of the proposed equations with the Rényi distribution is examined. PMID:26997886

Maximum-entropy description of animal movement.

PubMed

Fleming, Chris H; Subaşı, Yiğit; Calabrese, Justin M

2015-03-01

We introduce a class of maximum-entropy states that naturally includes within it all of the major continuous-time stochastic processes that have been applied to animal movement, including Brownian motion, Ornstein-Uhlenbeck motion, integrated Ornstein-Uhlenbeck motion, a recently discovered hybrid of the previous models, and a new model that describes central-place foraging. We are also able to predict a further hierarchy of new models that will emerge as data quality improves to better resolve the underlying continuity of animal movement. Finally, we also show that Langevin equations must obey a fluctuation-dissipation theorem to generate processes that fall from this class of maximum-entropy distributions when the constraints are purely kinematic.

Exact computation of the maximum-entropy potential of spiking neural-network models.

PubMed

Cofré, R; Cessac, B

2014-05-01

Understanding how stimuli and synaptic connectivity influence the statistics of spike patterns in neural networks is a central question in computational neuroscience. The maximum-entropy approach has been successfully used to characterize the statistical response of simultaneously recorded spiking neurons responding to stimuli. However, in spite of good performance in terms of prediction, the fitting parameters do not explain the underlying mechanistic causes of the observed correlations. On the other hand, mathematical models of spiking neurons (neuromimetic models) provide a probabilistic mapping between the stimulus, network architecture, and spike patterns in terms of conditional probabilities. In this paper we build an exact analytical mapping between neuromimetic and maximum-entropy models.

Direct 4D reconstruction of parametric images incorporating anato-functional joint entropy.

PubMed

Tang, Jing; Kuwabara, Hiroto; Wong, Dean F; Rahmim, Arman

2010-08-07

We developed an anatomy-guided 4D closed-form algorithm to directly reconstruct parametric images from projection data for (nearly) irreversible tracers. Conventional methods consist of individually reconstructing 2D/3D PET data, followed by graphical analysis on the sequence of reconstructed image frames. The proposed direct reconstruction approach maintains the simplicity and accuracy of the expectation-maximization (EM) algorithm by extending the system matrix to include the relation between the parametric images and the measured data. A closed-form solution was achieved using a different hidden complete-data formulation within the EM framework. Furthermore, the proposed method was extended to maximum a posterior reconstruction via incorporation of MR image information, taking the joint entropy between MR and parametric PET features as the prior. Using realistic simulated noisy [(11)C]-naltrindole PET and MR brain images/data, the quantitative performance of the proposed methods was investigated. Significant improvements in terms of noise versus bias performance were demonstrated when performing direct parametric reconstruction, and additionally upon extending the algorithm to its Bayesian counterpart using the MR-PET joint entropy measure.

Application of the Maximum Entropy Method to Risk Analysis of Mergers and Acquisitions

NASA Astrophysics Data System (ADS)

Xie, Jigang; Song, Wenyun

The maximum entropy (ME) method can be used to analyze the risk of mergers and acquisitions when only pre-acquisition information is available. A practical example of the risk analysis of China listed firms’ mergers and acquisitions is provided to testify the feasibility and practicality of the method.

Exploiting Acoustic and Syntactic Features for Automatic Prosody Labeling in a Maximum Entropy Framework

PubMed Central

Sridhar, Vivek Kumar Rangarajan; Bangalore, Srinivas; Narayanan, Shrikanth S.

2009-01-01

In this paper, we describe a maximum entropy-based automatic prosody labeling framework that exploits both language and speech information. We apply the proposed framework to both prominence and phrase structure detection within the Tones and Break Indices (ToBI) annotation scheme. Our framework utilizes novel syntactic features in the form of supertags and a quantized acoustic–prosodic feature representation that is similar to linear parameterizations of the prosodic contour. The proposed model is trained discriminatively and is robust in the selection of appropriate features for the task of prosody detection. The proposed maximum entropy acoustic–syntactic model achieves pitch accent and boundary tone detection accuracies of 86.0% and 93.1% on the Boston University Radio News corpus, and, 79.8% and 90.3% on the Boston Directions corpus. The phrase structure detection through prosodic break index labeling provides accuracies of 84% and 87% on the two corpora, respectively. The reported results are significantly better than previously reported results and demonstrate the strength of maximum entropy model in jointly modeling simple lexical, syntactic, and acoustic features for automatic prosody labeling. PMID:19603083

Holographic equipartition and the maximization of entropy

NASA Astrophysics Data System (ADS)

Krishna, P. B.; Mathew, Titus K.

2017-09-01

The accelerated expansion of the Universe can be interpreted as a tendency to satisfy holographic equipartition. It can be expressed by a simple law, Δ V =Δ t (Nsurf-ɛ Nbulk) , where V is the Hubble volume in Planck units, t is the cosmic time in Planck units, and Nsurf /bulk is the number of degrees of freedom on the horizon/bulk of the Universe. We show that this holographic equipartition law effectively implies the maximization of entropy. In the cosmological context, a system that obeys the holographic equipartition law behaves as an ordinary macroscopic system that proceeds to an equilibrium state of maximum entropy. We consider the standard Λ CDM model of the Universe and show that it is consistent with the holographic equipartition law. Analyzing the entropy evolution, we find that it also proceeds to an equilibrium state of maximum entropy.

Entropic Inference

NASA Astrophysics Data System (ADS)

Caticha, Ariel

2011-03-01

In this tutorial we review the essential arguments behing entropic inference. We focus on the epistemological notion of information and its relation to the Bayesian beliefs of rational agents. The problem of updating from a prior to a posterior probability distribution is tackled through an eliminative induction process that singles out the logarithmic relative entropy as the unique tool for inference. The resulting method of Maximum relative Entropy (ME), includes as special cases both MaxEnt and Bayes' rule, and therefore unifies the two themes of these workshops—the Maximum Entropy and the Bayesian methods—into a single general inference scheme.

Efficient algorithms and implementations of entropy-based moment closures for rarefied gases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schaerer, Roman Pascal, E-mail: schaerer@mathcces.rwth-aachen.de; Bansal, Pratyuksh; Torrilhon, Manuel

We present efficient algorithms and implementations of the 35-moment system equipped with the maximum-entropy closure in the context of rarefied gases. While closures based on the principle of entropy maximization have been shown to yield very promising results for moderately rarefied gas flows, the computational cost of these closures is in general much higher than for closure theories with explicit closed-form expressions of the closing fluxes, such as Grad's classical closure. Following a similar approach as Garrett et al. (2015) , we investigate efficient implementations of the computationally expensive numerical quadrature method used for the moment evaluations of the maximum-entropymore » distribution by exploiting its inherent fine-grained parallelism with the parallelism offered by multi-core processors and graphics cards. We show that using a single graphics card as an accelerator allows speed-ups of two orders of magnitude when compared to a serial CPU implementation. To accelerate the time-to-solution for steady-state problems, we propose a new semi-implicit time discretization scheme. The resulting nonlinear system of equations is solved with a Newton type method in the Lagrange multipliers of the dual optimization problem in order to reduce the computational cost. Additionally, fully explicit time-stepping schemes of first and second order accuracy are presented. We investigate the accuracy and efficiency of the numerical schemes for several numerical test cases, including a steady-state shock-structure problem.« less

Removal of cadmium(II) ions from aqueous solution using Ni (15 wt.%)-doped α-Fe2O3 nanocrystals: equilibrium, thermodynamic, and kinetic studies.

PubMed

OuldM'hamed, Mohamed; Khezami, L; Alshammari, Abdulrahman G; Ould-Mame, S M; Ghiloufi, I; Lemine, O M

2015-01-01

The present publication investigates the performance of nanocrystalline Ni (15 wt.%)-doped α-Fe2O3 as an effective nanomaterial for the removal of Cd(II) ions from aqueous solutions. The nanocrystalline Ni-doped α-Fe2O3 powders were prepared by mechanical alloying, and characterized by X-ray diffraction and a vibrating sample magnetometer. Batch-mode experiments were realized to determine the adsorption equilibrium, kinetics, and thermodynamic parameters of toxic heavy metal ions by Ni (15 wt.%)-doped α-Fe2O3. The adsorption isotherms data were found to be in good agreement with the Langmuir model. The adsorption capacity of Cd(II) ion reached a maximum value of about 90.91 mg g(-1) at 328 K and pH 7. The adsorption process kinetics was found to comply with pseudo-second-order rate law. Thermodynamic parameters related to the adsorption reaction, free energy change, enthalpy change and entropy change, were evaluated. The found values of free energy and enthalpy revealed a spontaneous endothermic adsorption-process. Moreover, the positive entropy suggests an increase of randomness during the process of heavy metal removal at the adsorbent-solution interface.

Uncertainty estimation of the self-thinning process by Maximum-Entropy Principle

Treesearch

Shoufan Fang; George Z. Gertner

2000-01-01

When available information is scarce, the Maximum-Entropy Principle can estimate the distributions of parameters. In our case study, we estimated the distributions of the parameters of the forest self-thinning process based on literature information, and we derived the conditional distribution functions and estimated the 95 percent confidence interval (CI) of the self-...

Classic Maximum Entropy Recovery of the Average Joint Distribution of Apparent FRET Efficiency and Fluorescence Photons for Single-molecule Burst Measurements

PubMed Central

DeVore, Matthew S.; Gull, Stephen F.; Johnson, Carey K.

2012-01-01

We describe a method for analysis of single-molecule Förster resonance energy transfer (FRET) burst measurements using classic maximum entropy. Classic maximum entropy determines the Bayesian inference for the joint probability describing the total fluorescence photons and the apparent FRET efficiency. The method was tested with simulated data and then with DNA labeled with fluorescent dyes. The most probable joint distribution can be marginalized to obtain both the overall distribution of fluorescence photons and the apparent FRET efficiency distribution. This method proves to be ideal for determining the distance distribution of FRET-labeled biomolecules, and it successfully predicts the shape of the recovered distributions. PMID:22338694

A unified approach to computational drug discovery.

PubMed

Tseng, Chih-Yuan; Tuszynski, Jack

2015-11-01

It has been reported that a slowdown in the development of new medical therapies is affecting clinical outcomes. The FDA has thus initiated the Critical Path Initiative project investigating better approaches. We review the current strategies in drug discovery and focus on the advantages of the maximum entropy method being introduced in this area. The maximum entropy principle is derived from statistical thermodynamics and has been demonstrated to be an inductive inference tool. We propose a unified method to drug discovery that hinges on robust information processing using entropic inductive inference. Increasingly, applications of maximum entropy in drug discovery employ this unified approach and demonstrate the usefulness of the concept in the area of pharmaceutical sciences. Copyright © 2015. Published by Elsevier Ltd.

Solid-solution CrCoCuFeNi high-entropy alloy thin films synthesized by sputter deposition

DOE PAGES

An, Zhinan; Jia, Haoling; Wu, Yueying; ...

2015-05-04

The concept of high configurational entropy requires that the high-entropy alloys (HEAs) yield single-phase solid solutions. However, phase separations are quite common in bulk HEAs. A five-element alloy, CrCoCuFeNi, was deposited via radio frequency magnetron sputtering and confirmed to be a single-phase solid solution through the high-energy synchrotron X-ray diffraction, energy-dispersive spectroscopy, wavelength-dispersive spectroscopy, and transmission electron microscopy. The formation of the solid-solution phase is presumed to be due to the high cooling rate of the sputter-deposition process.

Visualizing Entropy

NASA Astrophysics Data System (ADS)

Lechner, Joseph H.

1999-10-01

This report describes two classroom activities that help students visualize the abstract concept of entropy and apply the second law of thermodynamics to real situations. (i) A sealed "rainbow tube" contains six smaller vessels, each filled with a different brightly colored solution (low entropy). When the tube is inverted, the solutions mix together and react to form an amorphous precipitate (high entropy). The change from low entropy to high entropy is irreversible as long as the tube remains sealed. (ii) When U.S. currency is withdrawn from circulation, intact bills (low entropy) are shredded into small fragments (high entropy). Shredding is quick and easy; the reverse process is clearly nonspontaneous. It is theoretically possible, but it is time-consuming and energy-intensive, to reassemble one bill from a pile that contains fragments of hundreds of bills. We calculate the probability P of drawing pieces of only one specific bill from a mixture containing one pound of bills, each shredded into n fragments. This result can be related to Boltzmann's entropy formula S?=klnW.

Computational Amide I Spectroscopy for Refinement of Disordered Peptide Ensembles: Maximum Entropy and Related Approaches

NASA Astrophysics Data System (ADS)

Reppert, Michael; Tokmakoff, Andrei

The structural characterization of intrinsically disordered peptides (IDPs) presents a challenging biophysical problem. Extreme heterogeneity and rapid conformational interconversion make traditional methods difficult to interpret. Due to its ultrafast (ps) shutter speed, Amide I vibrational spectroscopy has received considerable interest as a novel technique to probe IDP structure and dynamics. Historically, Amide I spectroscopy has been limited to delivering global secondary structural information. More recently, however, the method has been adapted to study structure at the local level through incorporation of isotope labels into the protein backbone at specific amide bonds. Thanks to the acute sensitivity of Amide I frequencies to local electrostatic interactions-particularly hydrogen bonds-spectroscopic data on isotope labeled residues directly reports on local peptide conformation. Quantitative information can be extracted using electrostatic frequency maps which translate molecular dynamics trajectories into Amide I spectra for comparison with experiment. Here we present our recent efforts in the development of a rigorous approach to incorporating Amide I spectroscopic restraints into refined molecular dynamics structural ensembles using maximum entropy and related approaches. By combining force field predictions with experimental spectroscopic data, we construct refined structural ensembles for a family of short, strongly disordered, elastin-like peptides in aqueous solution.

Fast Maximum Entropy Moment Closure Approach to Solving the Boltzmann Equation

NASA Astrophysics Data System (ADS)

Summy, Dustin; Pullin, Dale

2015-11-01

We describe a method for a moment-based solution of the Boltzmann Equation (BE). This is applicable to an arbitrary set of velocity moments whose transport is governed by partial-differential equations (PDEs) derived from the BE. The equations are unclosed, containing both higher-order moments and molecular-collision terms. These are evaluated using a maximum-entropy reconstruction of the velocity distribution function f (c , x , t) , from the known moments, within a finite-box domain of single-particle velocity (c) space. Use of a finite-domain alleviates known problems (Junk and Unterreiter, Continuum Mech. Thermodyn., 2002) concerning existence and uniqueness of the reconstruction. Unclosed moments are evaluated with quadrature while collision terms are calculated using any desired method. This allows integration of the moment PDEs in time. The high computational cost of the general method is greatly reduced by careful choice of the velocity moments, allowing the necessary integrals to be reduced from three- to one-dimensional in the case of strictly 1D flows. A method to extend this enhancement to fully 3D flows is discussed. Comparison with relaxation and shock-wave problems using the DSMC method will be presented. Partially supported by NSF grant DMS-1418903.

Economics and Maximum Entropy Production

NASA Astrophysics Data System (ADS)

Lorenz, R. D.

2003-04-01

Price differentials, sales volume and profit can be seen as analogues of temperature difference, heat flow and work or entropy production in the climate system. One aspect in which economic systems exhibit more clarity than the climate is that the empirical and/or statistical mechanical tendency for systems to seek a maximum in production is very evident in economics, in that the profit motive is very clear. Noting the common link between 1/f noise, power laws and Self-Organized Criticality with Maximum Entropy Production, the power law fluctuations in security and commodity prices is not inconsistent with the analogy. There is an additional thermodynamic analogy, in that scarcity is valued. A commodity concentrated among a few traders is valued highly by the many who do not have it. The market therefore encourages via prices the spreading of those goods among a wider group, just as heat tends to diffuse, increasing entropy. I explore some empirical price-volume relationships of metals and meteorites in this context.

Metabolic networks evolve towards states of maximum entropy production.

PubMed

Unrean, Pornkamol; Srienc, Friedrich

2011-11-01

A metabolic network can be described by a set of elementary modes or pathways representing discrete metabolic states that support cell function. We have recently shown that in the most likely metabolic state the usage probability of individual elementary modes is distributed according to the Boltzmann distribution law while complying with the principle of maximum entropy production. To demonstrate that a metabolic network evolves towards such state we have carried out adaptive evolution experiments with Thermoanaerobacterium saccharolyticum operating with a reduced metabolic functionality based on a reduced set of elementary modes. In such reduced metabolic network metabolic fluxes can be conveniently computed from the measured metabolite secretion pattern. Over a time span of 300 generations the specific growth rate of the strain continuously increased together with a continuous increase in the rate of entropy production. We show that the rate of entropy production asymptotically approaches the maximum entropy production rate predicted from the state when the usage probability of individual elementary modes is distributed according to the Boltzmann distribution. Therefore, the outcome of evolution of a complex biological system can be predicted in highly quantitative terms using basic statistical mechanical principles. Copyright © 2011 Elsevier Inc. All rights reserved.

On the composition dependence of faceting behaviour of primary phases during solidification

NASA Astrophysics Data System (ADS)

Saroch, Mamta; Dubey, K. S.; Ramachandrarao, P.

1993-02-01

The entropy of solution of the primary aluminium-rich phase in the aluminium-tin melts has been evaluated as a function of temperature using available thermodynamic and phase equilibria data with a view to understand the faceting behaviour of this phase. It was noticed that the range of compositions in which alloys of aluminium and tin yield a faceted primary phase is correlated with the domain of compositions over which the entropy of solution shows a strong temperature dependence. It is demonstrated that both a high value of the entropy of solution and a strong temperature dependence of it are essential for providing faceting. A strong temperature dependence of the entropy of solution is in turn a consequence of negligible liquidus slope and existence of retrograde solubility. The AgBi and AgPb systems have similar features.

The maximum entropy method of moments and Bayesian probability theory

NASA Astrophysics Data System (ADS)

Bretthorst, G. Larry

2013-08-01

The problem of density estimation occurs in many disciplines. For example, in MRI it is often necessary to classify the types of tissues in an image. To perform this classification one must first identify the characteristics of the tissues to be classified. These characteristics might be the intensity of a T1 weighted image and in MRI many other types of characteristic weightings (classifiers) may be generated. In a given tissue type there is no single intensity that characterizes the tissue, rather there is a distribution of intensities. Often this distributions can be characterized by a Gaussian, but just as often it is much more complicated. Either way, estimating the distribution of intensities is an inference problem. In the case of a Gaussian distribution, one must estimate the mean and standard deviation. However, in the Non-Gaussian case the shape of the density function itself must be inferred. Three common techniques for estimating density functions are binned histograms [1, 2], kernel density estimation [3, 4], and the maximum entropy method of moments [5, 6]. In the introduction, the maximum entropy method of moments will be reviewed. Some of its problems and conditions under which it fails will be discussed. Then in later sections, the functional form of the maximum entropy method of moments probability distribution will be incorporated into Bayesian probability theory. It will be shown that Bayesian probability theory solves all of the problems with the maximum entropy method of moments. One gets posterior probabilities for the Lagrange multipliers, and, finally, one can put error bars on the resulting estimated density function.

Time dependence of Hawking radiation entropy

NASA Astrophysics Data System (ADS)

Page, Don N.

2013-09-01

If a black hole starts in a pure quantum state and evaporates completely by a unitary process, the von Neumann entropy of the Hawking radiation initially increases and then decreases back to zero when the black hole has disappeared. Here numerical results are given for an approximation to the time dependence of the radiation entropy under an assumption of fast scrambling, for large nonrotating black holes that emit essentially only photons and gravitons. The maximum of the von Neumann entropy then occurs after about 53.81% of the evaporation time, when the black hole has lost about 40.25% of its original Bekenstein-Hawking (BH) entropy (an upper bound for its von Neumann entropy) and then has a BH entropy that equals the entropy in the radiation, which is about 59.75% of the original BH entropy 4πM02, or about 7.509M02 ≈ 6.268 × 1076(M0/Msolar)2, using my 1976 calculations that the photon and graviton emission process into empty space gives about 1.4847 times the BH entropy loss of the black hole. Results are also given for black holes in initially impure states. If the black hole starts in a maximally mixed state, the von Neumann entropy of the Hawking radiation increases from zero up to a maximum of about 119.51% of the original BH entropy, or about 15.018M02 ≈ 1.254 × 1077(M0/Msolar)2, and then decreases back down to 4πM02 = 1.049 × 1077(M0/Msolar)2.

Using maximum entropy modeling to identify and prioritize red spruce forest habitat in West Virginia

Treesearch

Nathan R. Beane; James S. Rentch; Thomas M. Schuler

2013-01-01

Red spruce forests in West Virginia are found in island-like distributions at high elevations and provide essential habitat for the endangered Cheat Mountain salamander and the recently delisted Virginia northern flying squirrel. Therefore, it is important to identify restoration priorities of red spruce forests. Maximum entropy modeling was used to identify areas of...

Maximum entropy PDF projection: A review

NASA Astrophysics Data System (ADS)

Baggenstoss, Paul M.

2017-06-01

We review maximum entropy (MaxEnt) PDF projection, a method with wide potential applications in statistical inference. The method constructs a sampling distribution for a high-dimensional vector x based on knowing the sampling distribution p(z) of a lower-dimensional feature z = T (x). Under mild conditions, the distribution p(x) having highest possible entropy among all distributions consistent with p(z) may be readily found. Furthermore, the MaxEnt p(x) may be sampled, making the approach useful in Monte Carlo methods. We review the theorem and present a case study in model order selection and classification for handwritten character recognition.

Connecting complexity with spectral entropy using the Laplace transformed solution to the fractional diffusion equation

NASA Astrophysics Data System (ADS)

Liang, Yingjie; Chen, Wen; Magin, Richard L.

2016-07-01

Analytical solutions to the fractional diffusion equation are often obtained by using Laplace and Fourier transforms, which conveniently encode the order of the time and the space derivatives (α and β) as non-integer powers of the conjugate transform variables (s, and k) for the spectral and the spatial frequencies, respectively. This study presents a new solution to the fractional diffusion equation obtained using the Laplace transform and expressed as a Fox's H-function. This result clearly illustrates the kinetics of the underlying stochastic process in terms of the Laplace spectral frequency and entropy. The spectral entropy is numerically calculated by using the direct integration method and the adaptive Gauss-Kronrod quadrature algorithm. Here, the properties of spectral entropy are investigated for the cases of sub-diffusion and super-diffusion. We find that the overall spectral entropy decreases with the increasing α and β, and that the normal or Gaussian case with α = 1 and β = 2, has the lowest spectral entropy (i.e., less information is needed to describe the state of a Gaussian process). In addition, as the neighborhood over which the entropy is calculated increases, the spectral entropy decreases, which implies a spatial averaging or coarse graining of the material properties. Consequently, the spectral entropy is shown to provide a new way to characterize the temporal correlation of anomalous diffusion. Future studies should be designed to examine changes of spectral entropy in physical, chemical and biological systems undergoing phase changes, chemical reactions and tissue regeneration.

Stochastic modeling and control system designs of the NASA/MSFC Ground Facility for large space structures: The maximum entropy/optimal projection approach

NASA Technical Reports Server (NTRS)

Hsia, Wei-Shen

1986-01-01

In the Control Systems Division of the Systems Dynamics Laboratory of the NASA/MSFC, a Ground Facility (GF), in which the dynamics and control system concepts being considered for Large Space Structures (LSS) applications can be verified, was designed and built. One of the important aspects of the GF is to design an analytical model which will be as close to experimental data as possible so that a feasible control law can be generated. Using Hyland's Maximum Entropy/Optimal Projection Approach, a procedure was developed in which the maximum entropy principle is used for stochastic modeling and the optimal projection technique is used for a reduced-order dynamic compensator design for a high-order plant.

n-Order and maximum fuzzy similarity entropy for discrimination of signals of different complexity: Application to fetal heart rate signals.

PubMed

Zaylaa, Amira; Oudjemia, Souad; Charara, Jamal; Girault, Jean-Marc

2015-09-01

This paper presents two new concepts for discrimination of signals of different complexity. The first focused initially on solving the problem of setting entropy descriptors by varying the pattern size instead of the tolerance. This led to the search for the optimal pattern size that maximized the similarity entropy. The second paradigm was based on the n-order similarity entropy that encompasses the 1-order similarity entropy. To improve the statistical stability, n-order fuzzy similarity entropy was proposed. Fractional Brownian motion was simulated to validate the different methods proposed, and fetal heart rate signals were used to discriminate normal from abnormal fetuses. In all cases, it was found that it was possible to discriminate time series of different complexity such as fractional Brownian motion and fetal heart rate signals. The best levels of performance in terms of sensitivity (90%) and specificity (90%) were obtained with the n-order fuzzy similarity entropy. However, it was shown that the optimal pattern size and the maximum similarity measurement were related to intrinsic features of the time series. Copyright © 2015 Elsevier Ltd. All rights reserved.

Nonlinear radiative heat flux and heat source/sink on entropy generation minimization rate

NASA Astrophysics Data System (ADS)

Hayat, T.; Khan, M. Waleed Ahmed; Khan, M. Ijaz; Alsaedi, A.

2018-06-01

Entropy generation minimization in nonlinear radiative mixed convective flow towards a variable thicked surface is addressed. Entropy generation for momentum and temperature is carried out. The source for this flow analysis is stretching velocity of sheet. Transformations are used to reduce system of partial differential equations into ordinary ones. Total entropy generation rate is determined. Series solutions for the zeroth and mth order deformation systems are computed. Domain of convergence for obtained solutions is identified. Velocity, temperature and concentration fields are plotted and interpreted. Entropy equation is studied through nonlinear mixed convection and radiative heat flux. Velocity and temperature gradients are discussed through graphs. Meaningful results are concluded in the final remarks.

The Shannon entropy information for mixed Manning Rosen potential in D-dimensional Schrodinger equation

NASA Astrophysics Data System (ADS)

Suparmi, A.; Cari, C.; Nur Pratiwi, Beta; Arya Nugraha, Dewanta

2017-01-01

D dimensional Schrodinger equation for the mixed Manning Rosen potential was investigated using supersymmetric quantum mechanics. We obtained the energy eigenvalues from radial part solution and wavefunctions in radial and angular parts solution. From the lowest radial wavefunctions, we evaluated the Shannon entropy information using Matlab software. Based on the entropy densities demonstrated graphically, we obtained that the wave of position information entropy density moves right when the value of potential parameter q increases, while its wave moves left with the increase of parameter α. The wave of momentum information entropy densities were expressed in graphs. We observe that its amplitude increase with increasing parameter q and α

Minimum and Maximum Entropy Distributions for Binary Systems with Known Means and Pairwise Correlations

DTIC Science & Technology

2017-08-21

distributions, and we discuss some applications for engineered and biological information transmission systems. Keywords: information theory; minimum...of its interpretation as a measure of the amount of information communicable by a neural system to groups of downstream neurons. Previous authors...of the maximum entropy approach. Our results also have relevance for engineered information transmission systems. We show that empirically measured

Interatomic potentials in condensed matter via the maximum-entropy principle

NASA Astrophysics Data System (ADS)

Carlsson, A. E.

1987-09-01

A general method is described for the calculation of interatomic potentials in condensed-matter systems by use of a maximum-entropy Ansatz for the interatomic correlation functions. The interatomic potentials are given explicitly in terms of statistical correlation functions involving the potential energy and the structure factor of a ``reference medium.'' Illustrations are given for Al-Cu alloys and a model transition metal.

Stochastic characteristics of different duration annual maximum rainfall and its spatial difference in China based on information entropy

NASA Astrophysics Data System (ADS)

Li, X.; Sang, Y. F.

2017-12-01

Mountain torrents, urban floods and other disasters caused by extreme precipitation bring great losses to the ecological environment, social and economic development, people's lives and property security. So there is of great significance to floods prevention and control by the study of its spatial distribution. Based on the annual maximum rainfall data of 60min, 6h and 24h, the paper generate long sequences following Pearson-III distribution, and then use the information entropy index to study the spatial distribution and difference of different duration. The results show that the information entropy value of annual maximum rainfall in the south region is greater than that in the north region, indicating more obvious stochastic characteristics of annual maximum rainfall in the latter. However, the spatial distribution of stochastic characteristics is different in different duration. For example, stochastic characteristics of 60min annual maximum rainfall in the Eastern Tibet is smaller than surrounding, but 6h and 24h annual maximum rainfall is larger than surrounding area. In the Haihe River Basin and the Huaihe River Basin, the stochastic characteristics of the 60min annual maximum rainfall was not significantly different from that in the surrounding area, and stochastic characteristics of 6h and 24h was smaller than that in the surrounding area. We conclude that the spatial distribution of information entropy values of annual maximum rainfall in different duration can reflect the spatial distribution of its stochastic characteristics, thus the results can be an importantly scientific basis for the flood prevention and control, agriculture, economic-social developments and urban flood control and waterlogging.

Thermodynamics of cosolvent action: phenacetin, salicylic acid and probenecid.

PubMed

Peña, M A; Escalera, B; Reíllo, A; Sánchez, A B; Bustamante, P

2009-03-01

The solubility of phenacetin, salicylic acid, and probenecid in ethanol-water and ethanol-ethyl acetate mixtures at several temperatures (15-40 degrees C) was measured. The solubility profiles are related to medium polarity changes. The apparent thermodynamic magnitudes and enthalpy-entropy relationships are related to the cosolvent action. Salicylic acid and probenecid show a single peak against the solubility parameter delta(1) of both solvent mixtures, at 40% (delta(1) = 21.70 MPa(1/2)) and 30% (delta(1) = 20.91 MPa(1/2)) ethanol in ethyl acetate, respectively. Phenacetin displays two peaks at 60% ethanol in ethyl acetate (23.30 MPa(1/2)) and 90% ethanol in water (delta(1) = 28.64 MPa(1/2)). The apparent enthalpies of solution display a maximum at 30% (phenacetin and salicylic acid) and 40% (probenecid) ethanol in water, respectively. Two different mechanisms, entropy at low ethanol ratios, and enthalpy at high ethanol ratios control the solubility enhancement in the aqueous mixture. In the nonaqueous mixture (ethanol-ethyl acetate) enthalpy is the driving force throughout the whole solvent composition for salicylic acid and phenacetin. For probenecid, the dominant mechanism shifts from entropy to enthalpy as the ethanol in ethyl acetate concentration increases. The enthalpy-entropy compensation plots corroborate the different mechanisms involved in the solubility enhancement by cosolvents. (c) 2008 Wiley-Liss, Inc. and the American Pharmacists Association

Uncertainty vs. Information (Invited)

NASA Astrophysics Data System (ADS)

Nearing, Grey

2017-04-01

Information theory is the branch of logic that describes how rational epistemic states evolve in the presence of empirical data (Knuth, 2005), and any logic of science is incomplete without such a theory. Developing a formal philosophy of science that recognizes this fact results in essentially trivial solutions to several longstanding problems are generally considered intractable, including: • Alleviating the need for any likelihood function or error model. • Derivation of purely logical falsification criteria for hypothesis testing. • Specification of a general quantitative method for process-level model diagnostics. More generally, I make the following arguments: 1. Model evaluation should not proceed by quantifying and/or reducing error or uncertainty, and instead should be approached as a problem of ensuring that our models contain as much information as our experimental data. I propose that the latter is the only question a scientist actually has the ability to ask. 2. Instead of building geophysical models as solutions to differential equations that represent conservation laws, we should build models as maximum entropy distributions constrained by conservation symmetries. This will allow us to derive predictive probabilities directly from first principles. Knuth, K. H. (2005) 'Lattice duality: The origin of probability and entropy', Neurocomputing, 67, pp. 245-274.

Stability of Tsallis entropy and instabilities of Rényi and normalized Tsallis entropies: a basis for q-exponential distributions.

PubMed

Abe, Sumiyoshi

2002-10-01

The q-exponential distributions, which are generalizations of the Zipf-Mandelbrot power-law distribution, are frequently encountered in complex systems at their stationary states. From the viewpoint of the principle of maximum entropy, they can apparently be derived from three different generalized entropies: the Rényi entropy, the Tsallis entropy, and the normalized Tsallis entropy. Accordingly, mere fittings of observed data by the q-exponential distributions do not lead to identification of the correct physical entropy. Here, stabilities of these entropies, i.e., their behaviors under arbitrary small deformation of a distribution, are examined. It is shown that, among the three, the Tsallis entropy is stable and can provide an entropic basis for the q-exponential distributions, whereas the others are unstable and cannot represent any experimentally observable quantities.

Parabolic replicator dynamics and the principle of minimum Tsallis information gain

PubMed Central

2013-01-01

Background Non-linear, parabolic (sub-exponential) and hyperbolic (super-exponential) models of prebiological evolution of molecular replicators have been proposed and extensively studied. The parabolic models appear to be the most realistic approximations of real-life replicator systems due primarily to product inhibition. Unlike the more traditional exponential models, the distribution of individual frequencies in an evolving parabolic population is not described by the Maximum Entropy (MaxEnt) Principle in its traditional form, whereby the distribution with the maximum Shannon entropy is chosen among all the distributions that are possible under the given constraints. We sought to identify a more general form of the MaxEnt principle that would be applicable to parabolic growth. Results We consider a model of a population that reproduces according to the parabolic growth law and show that the frequencies of individuals in the population minimize the Tsallis relative entropy (non-additive information gain) at each time moment. Next, we consider a model of a parabolically growing population that maintains a constant total size and provide an “implicit” solution for this system. We show that in this case, the frequencies of the individuals in the population also minimize the Tsallis information gain at each moment of the ‘internal time” of the population. Conclusions The results of this analysis show that the general MaxEnt principle is the underlying law for the evolution of a broad class of replicator systems including not only exponential but also parabolic and hyperbolic systems. The choice of the appropriate entropy (information) function depends on the growth dynamics of a particular class of systems. The Tsallis entropy is non-additive for independent subsystems, i.e. the information on the subsystems is insufficient to describe the system as a whole. In the context of prebiotic evolution, this “non-reductionist” nature of parabolic replicator systems might reflect the importance of group selection and competition between ensembles of cooperating replicators. Reviewers This article was reviewed by Viswanadham Sridhara (nominated by Claus Wilke), Puushottam Dixit (nominated by Sergei Maslov), and Nick Grishin. For the complete reviews, see the Reviewers’ Reports section. PMID:23937956

Time dependence of Hawking radiation entropy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Page, Don N., E-mail: profdonpage@gmail.com

2013-09-01

If a black hole starts in a pure quantum state and evaporates completely by a unitary process, the von Neumann entropy of the Hawking radiation initially increases and then decreases back to zero when the black hole has disappeared. Here numerical results are given for an approximation to the time dependence of the radiation entropy under an assumption of fast scrambling, for large nonrotating black holes that emit essentially only photons and gravitons. The maximum of the von Neumann entropy then occurs after about 53.81% of the evaporation time, when the black hole has lost about 40.25% of its originalmore » Bekenstein-Hawking (BH) entropy (an upper bound for its von Neumann entropy) and then has a BH entropy that equals the entropy in the radiation, which is about 59.75% of the original BH entropy 4πM{sub 0}{sup 2}, or about 7.509M{sub 0}{sup 2} ≈ 6.268 × 10{sup 76}(M{sub 0}/M{sub s}un){sup 2}, using my 1976 calculations that the photon and graviton emission process into empty space gives about 1.4847 times the BH entropy loss of the black hole. Results are also given for black holes in initially impure states. If the black hole starts in a maximally mixed state, the von Neumann entropy of the Hawking radiation increases from zero up to a maximum of about 119.51% of the original BH entropy, or about 15.018M{sub 0}{sup 2} ≈ 1.254 × 10{sup 77}(M{sub 0}/M{sub s}un){sup 2}, and then decreases back down to 4πM{sub 0}{sup 2} = 1.049 × 10{sup 77}(M{sub 0}/M{sub s}un){sup 2}.« less

Bistability, non-ergodicity, and inhibition in pairwise maximum-entropy models

PubMed Central

Grün, Sonja; Helias, Moritz

2017-01-01

Pairwise maximum-entropy models have been used in neuroscience to predict the activity of neuronal populations, given only the time-averaged correlations of the neuron activities. This paper provides evidence that the pairwise model, applied to experimental recordings, would produce a bimodal distribution for the population-averaged activity, and for some population sizes the second mode would peak at high activities, that experimentally would be equivalent to 90% of the neuron population active within time-windows of few milliseconds. Several problems are connected with this bimodality: 1. The presence of the high-activity mode is unrealistic in view of observed neuronal activity and on neurobiological grounds. 2. Boltzmann learning becomes non-ergodic, hence the pairwise maximum-entropy distribution cannot be found: in fact, Boltzmann learning would produce an incorrect distribution; similarly, common variants of mean-field approximations also produce an incorrect distribution. 3. The Glauber dynamics associated with the model is unrealistically bistable and cannot be used to generate realistic surrogate data. This bimodality problem is first demonstrated for an experimental dataset from 159 neurons in the motor cortex of macaque monkey. Evidence is then provided that this problem affects typical neural recordings of population sizes of a couple of hundreds or more neurons. The cause of the bimodality problem is identified as the inability of standard maximum-entropy distributions with a uniform reference measure to model neuronal inhibition. To eliminate this problem a modified maximum-entropy model is presented, which reflects a basic effect of inhibition in the form of a simple but non-uniform reference measure. This model does not lead to unrealistic bimodalities, can be found with Boltzmann learning, and has an associated Glauber dynamics which incorporates a minimal asymmetric inhibition. PMID:28968396

Bistability, non-ergodicity, and inhibition in pairwise maximum-entropy models.

PubMed

Rostami, Vahid; Porta Mana, PierGianLuca; Grün, Sonja; Helias, Moritz

2017-10-01

Pairwise maximum-entropy models have been used in neuroscience to predict the activity of neuronal populations, given only the time-averaged correlations of the neuron activities. This paper provides evidence that the pairwise model, applied to experimental recordings, would produce a bimodal distribution for the population-averaged activity, and for some population sizes the second mode would peak at high activities, that experimentally would be equivalent to 90% of the neuron population active within time-windows of few milliseconds. Several problems are connected with this bimodality: 1. The presence of the high-activity mode is unrealistic in view of observed neuronal activity and on neurobiological grounds. 2. Boltzmann learning becomes non-ergodic, hence the pairwise maximum-entropy distribution cannot be found: in fact, Boltzmann learning would produce an incorrect distribution; similarly, common variants of mean-field approximations also produce an incorrect distribution. 3. The Glauber dynamics associated with the model is unrealistically bistable and cannot be used to generate realistic surrogate data. This bimodality problem is first demonstrated for an experimental dataset from 159 neurons in the motor cortex of macaque monkey. Evidence is then provided that this problem affects typical neural recordings of population sizes of a couple of hundreds or more neurons. The cause of the bimodality problem is identified as the inability of standard maximum-entropy distributions with a uniform reference measure to model neuronal inhibition. To eliminate this problem a modified maximum-entropy model is presented, which reflects a basic effect of inhibition in the form of a simple but non-uniform reference measure. This model does not lead to unrealistic bimodalities, can be found with Boltzmann learning, and has an associated Glauber dynamics which incorporates a minimal asymmetric inhibition.

[Maximum entropy model versus remote sensing-based methods for extracting Oncomelania hupensis snail habitats].

PubMed

Cong-Cong, Xia; Cheng-Fang, Lu; Si, Li; Tie-Jun, Zhang; Sui-Heng, Lin; Yi, Hu; Ying, Liu; Zhi-Jie, Zhang

2016-12-02

To explore the technique of maximum entropy model for extracting Oncomelania hupensis snail habitats in Poyang Lake zone. The information of snail habitats and related environment factors collected in Poyang Lake zone were integrated to set up the maximum entropy based species model and generate snail habitats distribution map. Two Landsat 7 ETM+ remote sensing images of both wet and drought seasons in Poyang Lake zone were obtained, where the two indices of modified normalized difference water index (MNDWI) and normalized difference vegetation index (NDVI) were applied to extract snail habitats. The ROC curve, sensitivities and specificities were applied to assess their results. Furthermore, the importance of the variables for snail habitats was analyzed by using Jackknife approach. The evaluation results showed that the area under receiver operating characteristic curve (AUC) of testing data by the remote sensing-based method was only 0.56, and the sensitivity and specificity were 0.23 and 0.89 respectively. Nevertheless, those indices above-mentioned of maximum entropy model were 0.876, 0.89 and 0.74 respectively. The main concentration of snail habitats in Poyang Lake zone covered the northeast part of Yongxiu County, northwest of Yugan County, southwest of Poyang County and middle of Xinjian County, and the elevation was the most important environment variable affecting the distribution of snails, and the next was land surface temperature (LST). The maximum entropy model is more reliable and accurate than the remote sensing-based method for the sake of extracting snail habitats, which has certain guiding significance for the relevant departments to carry out measures to prevent and control high-risk snail habitats.

Conditional maximum-entropy method for selecting prior distributions in Bayesian statistics

NASA Astrophysics Data System (ADS)

Abe, Sumiyoshi

2014-11-01

The conditional maximum-entropy method (abbreviated here as C-MaxEnt) is formulated for selecting prior probability distributions in Bayesian statistics for parameter estimation. This method is inspired by a statistical-mechanical approach to systems governed by dynamics with largely separated time scales and is based on three key concepts: conjugate pairs of variables, dimensionless integration measures with coarse-graining factors and partial maximization of the joint entropy. The method enables one to calculate a prior purely from a likelihood in a simple way. It is shown, in particular, how it not only yields Jeffreys's rules but also reveals new structures hidden behind them.

Cosmic equilibration: A holographic no-hair theorem from the generalized second law

NASA Astrophysics Data System (ADS)

Carroll, Sean M.; Chatwin-Davies, Aidan

2018-02-01

In a wide class of cosmological models, a positive cosmological constant drives cosmological evolution toward an asymptotically de Sitter phase. Here we connect this behavior to the increase of entropy over time, based on the idea that de Sitter spacetime is a maximum-entropy state. We prove a cosmic no-hair theorem for Robertson-Walker and Bianchi I spacetimes that admit a Q-screen ("quantum" holographic screen) with certain entropic properties: If generalized entropy, in the sense of the cosmological version of the generalized second law conjectured by Bousso and Engelhardt, increases up to a finite maximum value along the screen, then the spacetime is asymptotically de Sitter in the future. Moreover, the limiting value of generalized entropy coincides with the de Sitter horizon entropy. We do not use the Einstein field equations in our proof, nor do we assume the existence of a positive cosmological constant. As such, asymptotic relaxation to a de Sitter phase can, in a precise sense, be thought of as cosmological equilibration.

Pareto versus lognormal: A maximum entropy test

NASA Astrophysics Data System (ADS)

Bee, Marco; Riccaboni, Massimo; Schiavo, Stefano

2011-08-01

It is commonly found that distributions that seem to be lognormal over a broad range change to a power-law (Pareto) distribution for the last few percentiles. The distributions of many physical, natural, and social events (earthquake size, species abundance, income and wealth, as well as file, city, and firm sizes) display this structure. We present a test for the occurrence of power-law tails in statistical distributions based on maximum entropy. This methodology allows one to identify the true data-generating processes even in the case when it is neither lognormal nor Pareto. The maximum entropy approach is then compared with other widely used methods and applied to different levels of aggregation of complex systems. Our results provide support for the theory that distributions with lognormal body and Pareto tail can be generated as mixtures of lognormally distributed units.

Shallow water equations: viscous solutions and inviscid limit

NASA Astrophysics Data System (ADS)

Chen, Gui-Qiang; Perepelitsa, Mikhail

2012-12-01

We establish the inviscid limit of the viscous shallow water equations to the Saint-Venant system. For the viscous equations, the viscosity terms are more degenerate when the shallow water is close to the bottom, in comparison with the classical Navier-Stokes equations for barotropic gases; thus, the analysis in our earlier work for the classical Navier-Stokes equations does not apply directly, which require new estimates to deal with the additional degeneracy. We first introduce a notion of entropy solutions to the viscous shallow water equations and develop an approach to establish the global existence of such solutions and their uniform energy-type estimates with respect to the viscosity coefficient. These uniform estimates yield the existence of measure-valued solutions to the Saint-Venant system generated by the viscous solutions. Based on the uniform energy-type estimates and the features of the Saint-Venant system, we further establish that the entropy dissipation measures of the viscous solutions for weak entropy-entropy flux pairs, generated by compactly supported C 2 test-functions, are confined in a compact set in H -1, which yields that the measure-valued solutions are confined by the Tartar-Murat commutator relation. Then, the reduction theorem established in Chen and Perepelitsa [5] for the measure-valued solutions with unbounded support leads to the convergence of the viscous solutions to a finite-energy entropy solution of the Saint-Venant system with finite-energy initial data, which is relative with respect to the different end-states of the bottom topography of the shallow water at infinity. The analysis also applies to the inviscid limit problem for the Saint-Venant system in the presence of friction.

Maximum Entropy for the International Division of Labor.

PubMed

Lei, Hongmei; Chen, Ying; Li, Ruiqi; He, Deli; Zhang, Jiang

2015-01-01

As a result of the international division of labor, the trade value distribution on different products substantiated by international trade flows can be regarded as one country's strategy for competition. According to the empirical data of trade flows, countries may spend a large fraction of export values on ubiquitous and competitive products. Meanwhile, countries may also diversify their exports share on different types of products to reduce the risk. In this paper, we report that the export share distribution curves can be derived by maximizing the entropy of shares on different products under the product's complexity constraint once the international market structure (the country-product bipartite network) is given. Therefore, a maximum entropy model provides a good fit to empirical data. The empirical data is consistent with maximum entropy subject to a constraint on the expected value of the product complexity for each country. One country's strategy is mainly determined by the types of products this country can export. In addition, our model is able to fit the empirical export share distribution curves of nearly every country very well by tuning only one parameter.

Maximum Entropy for the International Division of Labor

PubMed Central

Lei, Hongmei; Chen, Ying; Li, Ruiqi; He, Deli; Zhang, Jiang

2015-01-01

As a result of the international division of labor, the trade value distribution on different products substantiated by international trade flows can be regarded as one country’s strategy for competition. According to the empirical data of trade flows, countries may spend a large fraction of export values on ubiquitous and competitive products. Meanwhile, countries may also diversify their exports share on different types of products to reduce the risk. In this paper, we report that the export share distribution curves can be derived by maximizing the entropy of shares on different products under the product’s complexity constraint once the international market structure (the country-product bipartite network) is given. Therefore, a maximum entropy model provides a good fit to empirical data. The empirical data is consistent with maximum entropy subject to a constraint on the expected value of the product complexity for each country. One country’s strategy is mainly determined by the types of products this country can export. In addition, our model is able to fit the empirical export share distribution curves of nearly every country very well by tuning only one parameter. PMID:26172052

Maximum entropy production in environmental and ecological systems.

PubMed

Kleidon, Axel; Malhi, Yadvinder; Cox, Peter M

2010-05-12

The coupled biosphere-atmosphere system entails a vast range of processes at different scales, from ecosystem exchange fluxes of energy, water and carbon to the processes that drive global biogeochemical cycles, atmospheric composition and, ultimately, the planetary energy balance. These processes are generally complex with numerous interactions and feedbacks, and they are irreversible in their nature, thereby producing entropy. The proposed principle of maximum entropy production (MEP), based on statistical mechanics and information theory, states that thermodynamic processes far from thermodynamic equilibrium will adapt to steady states at which they dissipate energy and produce entropy at the maximum possible rate. This issue focuses on the latest development of applications of MEP to the biosphere-atmosphere system including aspects of the atmospheric circulation, the role of clouds, hydrology, vegetation effects, ecosystem exchange of energy and mass, biogeochemical interactions and the Gaia hypothesis. The examples shown in this special issue demonstrate the potential of MEP to contribute to improved understanding and modelling of the biosphere and the wider Earth system, and also explore limitations and constraints to the application of the MEP principle.

Propane spectral resolution enhancement by the maximum entropy method

NASA Technical Reports Server (NTRS)

Bonavito, N. L.; Stewart, K. P.; Hurley, E. J.; Yeh, K. C.; Inguva, R.

1990-01-01

The Burg algorithm for maximum entropy power spectral density estimation is applied to a time series of data obtained from a Michelson interferometer and compared with a standard FFT estimate for resolution capability. The propane transmittance spectrum was estimated by use of the FFT with a 2 to the 18th data sample interferogram, giving a maximum unapodized resolution of 0.06/cm. This estimate was then interpolated by zero filling an additional 2 to the 18th points, and the final resolution was taken to be 0.06/cm. Comparison of the maximum entropy method (MEM) estimate with the FFT was made over a 45/cm region of the spectrum for several increasing record lengths of interferogram data beginning at 2 to the 10th. It is found that over this region the MEM estimate with 2 to the 16th data samples is in close agreement with the FFT estimate using 2 to the 18th samples.

A minimum entropy principle in the gas dynamics equations

NASA Technical Reports Server (NTRS)

Tadmor, E.

1986-01-01

Let u(x bar,t) be a weak solution of the Euler equations, governing the inviscid polytropic gas dynamics; in addition, u(x bar, t) is assumed to respect the usual entropy conditions connected with the conservative Euler equations. We show that such entropy solutions of the gas dynamics equations satisfy a minimum entropy principle, namely, that the spatial minimum of their specific entropy, (Ess inf s(u(x,t)))/x, is an increasing function of time. This principle equally applies to discrete approximations of the Euler equations such as the Godunov-type and Lax-Friedrichs schemes. Our derivation of this minimum principle makes use of the fact that there is a family of generalized entrophy functions connected with the conservative Euler equations.

Eigen solutions and entropic system for Hellmann potential in the presence of the Schrödinger equation

NASA Astrophysics Data System (ADS)

Onate, C. A.; Onyeaju, M. C.; Ikot, A. N.; Ebomwonyi, O.

2017-11-01

By using the supersymmetric approach, we studied the approximate analytic solutions of the three-dimensional Schrödinger equation with the Hellmann potential by applying a suitable approximation scheme to the centrifugal term. The solutions of other useful potentials, such as Coulomb potential and Yukawa potential, are obtained by transformation of variables from the Hellmann potential. Finally, we calculated the Tsallis entropy and Rényi entropy both in position and momentum spaces under the Hellmann potential using integral method. The effects of these entropies on the angular momentum quantum number are investigated in detail.

Thermodynamic resource theories, non-commutativity and maximum entropy principles

NASA Astrophysics Data System (ADS)

Lostaglio, Matteo; Jennings, David; Rudolph, Terry

2017-04-01

We discuss some features of thermodynamics in the presence of multiple conserved quantities. We prove a generalisation of Landauer principle illustrating tradeoffs between the erasure costs paid in different ‘currencies’. We then show how the maximum entropy and complete passivity approaches give different answers in the presence of multiple observables. We discuss how this seems to prevent current resource theories from fully capturing thermodynamic aspects of non-commutativity.

Using the Maximum Entropy Principle as a Unifying Theory Characterization and Sampling of Multi-Scaling Processes in Hydrometeorology

DTIC Science & Technology

2015-08-20

evapotranspiration (ET) over oceans may be significantly lower than previously thought. The MEP model parameterized turbulent transfer coefficients...fluxes, ocean freshwater fluxes, regional crop yield among others. An on-going study suggests that the global annual evapotranspiration (ET) over...Bras, Jingfeng Wang. A model of evapotranspiration based on the theory of maximum entropy production, Water Resources Research, (03 2011): 0. doi

Hydrodynamic equations for electrons in graphene obtained from the maximum entropy principle

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barletti, Luigi, E-mail: luigi.barletti@unifi.it

2014-08-15

The maximum entropy principle is applied to the formal derivation of isothermal, Euler-like equations for semiclassical fermions (electrons and holes) in graphene. After proving general mathematical properties of the equations so obtained, their asymptotic form corresponding to significant physical regimes is investigated. In particular, the diffusive regime, the Maxwell-Boltzmann regime (high temperature), the collimation regime and the degenerate gas limit (vanishing temperature) are considered.

Maximum Entropy/Optimal Projection (MEOP) control design synthesis: Optimal quantification of the major design tradeoffs

NASA Technical Reports Server (NTRS)

Hyland, D. C.; Bernstein, D. S.

1987-01-01

The underlying philosophy and motivation of the optimal projection/maximum entropy (OP/ME) stochastic modeling and reduced control design methodology for high order systems with parameter uncertainties are discussed. The OP/ME design equations for reduced-order dynamic compensation including the effect of parameter uncertainties are reviewed. The application of the methodology to several Large Space Structures (LSS) problems of representative complexity is illustrated.

Quantifying and minimizing entropy generation in AMTEC cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hendricks, T.J.; Huang, C.

1997-12-31

Entropy generation in an AMTEC cell represents inherent power loss to the AMTEC cell. Minimizing cell entropy generation directly maximizes cell power generation and efficiency. An internal project is on-going at AMPS to identify, quantify and minimize entropy generation mechanisms within an AMTEC cell, with the goal of determining cost-effective design approaches for maximizing AMTEC cell power generation. Various entropy generation mechanisms have been identified and quantified. The project has investigated several cell design techniques in a solar-driven AMTEC system to minimize cell entropy generation and produce maximum power cell designs. In many cases, various sources of entropy generation aremore » interrelated such that minimizing entropy generation requires cell and system design optimization. Some of the tradeoffs between various entropy generation mechanisms are quantified and explained and their implications on cell design are discussed. The relationship between AMTEC cell power and efficiency and entropy generation is presented and discussed.« less

Moisture sorption isotherms and thermodynamic properties of bovine leather

NASA Astrophysics Data System (ADS)

Fakhfakh, Rihab; Mihoubi, Daoued; Kechaou, Nabil

2018-04-01

This study was aimed at the determination of bovine leather moisture sorption characteristics using a static gravimetric method at 30, 40, 50, 60 and 70 °C. The curves exhibit type II behaviour according to the BET classification. The sorption isotherms fitting by seven equations shows that GAB model is able to reproduce the equilibrium moisture content evolution with water activity for moisture range varying from 0.02 to 0.83 kg/kg d.b (0.9898 < R2 < 0.999). The sorption isotherms exhibit hysteresis effect. Additionally, sorption isotherms data were used to determine the thermodynamic properties such as isosteric heat of sorption, sorption entropy, spreading pressure, net integral enthalpy and entropy. Net isosteric heat of sorption and differential entropy were evaluated through direct use of moisture isotherms by applying the Clausius-Clapeyron equation and used to investigate the enthalpy-entropy compensation theory. Both sorption enthalpy and entropy for desorption increase to a maximum with increasing moisture content, and then decrease sharply with rising moisture content. Adsorption enthalpy decreases with increasing moisture content. Whereas, adsorption entropy increases smoothly with increasing moisture content to a maximum of 6.29 J/K.mol. Spreading pressure increases with rising water activity. The net integral enthalpy seemed to decrease and then increase to become asymptotic. The net integral entropy decreased with moisture content increase.

The Riemann Problem for the Multidimensional Isentropic System of Gas Dynamics is Ill-Posed if It Contains a Shock

NASA Astrophysics Data System (ADS)

Markfelder, Simon; Klingenberg, Christian

2018-03-01

In this paper we consider the isentropic compressible Euler equations in two space dimensions together with particular initial data. This data consists of two constant states, where one state lies in the lower and the other state in the upper half plane. The aim is to investigate whether there exists a unique entropy solution or if the convex integration method produces infinitely many entropy solutions. For some initial states this question has been answered by Feireisl and Kreml (J Hyperbolic Differ Equ 12(3):489-499, 2015), and also Chen and Chen (J Hyperbolic Differ Equ 4(1):105-122, 2007), where there exists a unique entropy solution. For other initial states Chiodaroli and Kreml (Arch Ration Mech Anal 214(3):1019-1049, 2014) and Chiodaroli et al. (Commun Pure Appl Math 68(7):1157-1190, 2015), showed that there are infinitely many entropy solutions. For still other initial states the question on uniqueness remained open and this will be the content of this paper. This paper can be seen as a completion of the aforementioned papers by showing that the solution is non-unique in all cases (except if the solution is smooth).

Entropy jump across an inviscid shock wave

NASA Technical Reports Server (NTRS)

Salas, Manuel D.; Iollo, Angelo

1995-01-01

The shock jump conditions for the Euler equations in their primitive form are derived by using generalized functions. The shock profiles for specific volume, speed, and pressure are shown to be the same, however density has a different shock profile. Careful study of the equations that govern the entropy shows that the inviscid entropy profile has a local maximum within the shock layer. We demonstrate that because of this phenomenon, the entropy, propagation equation cannot be used as a conservation law.

An improved wavelet neural network medical image segmentation algorithm with combined maximum entropy

NASA Astrophysics Data System (ADS)

Hu, Xiaoqian; Tao, Jinxu; Ye, Zhongfu; Qiu, Bensheng; Xu, Jinzhang

2018-05-01

In order to solve the problem of medical image segmentation, a wavelet neural network medical image segmentation algorithm based on combined maximum entropy criterion is proposed. Firstly, we use bee colony algorithm to optimize the network parameters of wavelet neural network, get the parameters of network structure, initial weights and threshold values, and so on, we can quickly converge to higher precision when training, and avoid to falling into relative extremum; then the optimal number of iterations is obtained by calculating the maximum entropy of the segmented image, so as to achieve the automatic and accurate segmentation effect. Medical image segmentation experiments show that the proposed algorithm can reduce sample training time effectively and improve convergence precision, and segmentation effect is more accurate and effective than traditional BP neural network (back propagation neural network : a multilayer feed forward neural network which trained according to the error backward propagation algorithm.

Maximum entropy deconvolution of the optical jet of 3C 273

NASA Technical Reports Server (NTRS)

Evans, I. N.; Ford, H. C.; Hui, X.

1989-01-01

The technique of maximum entropy image restoration is applied to the problem of deconvolving the point spread function from a deep, high-quality V band image of the optical jet of 3C 273. The resulting maximum entropy image has an approximate spatial resolution of 0.6 arcsec and has been used to study the morphology of the optical jet. Four regularly-spaced optical knots are clearly evident in the data, together with an optical 'extension' at each end of the optical jet. The jet oscillates around its center of gravity, and the spatial scale of the oscillations is very similar to the spacing between the optical knots. The jet is marginally resolved in the transverse direction and has an asymmetric profile perpendicular to the jet axis. The distribution of V band flux along the length of the jet, and accurate astrometry of the optical knot positions are presented.

Entropy generation in a mixed convection Poiseulle flow of molybdenum disulphide Jeffrey nanofluid

NASA Astrophysics Data System (ADS)

Gul, Aaiza; Khan, Ilyas; Makhanov, Stanislav S.

2018-06-01

Entropy analysis in a mixed convection Poiseulle flow of a Molybdenum Disulphide Jeffrey Nanofluid (MDJN) is presented. Mixed convection is caused due to buoyancy force and external pressure gradient. The problem is formulated in terms of a boundary value problem for a system of partial differential equations. An analytical solution for the velocity and the temperature is obtained using the perturbation technique. Entropy generation has been derived as a function of the velocity and temperature gradients. The solutions are displayed graphically and the relevant importance of the input parameters is discussed. A Jeffrey nanofluid (JN) has been compared with a second grade nanofluid (SGN) and Newtonian nanofluid (NN). It is found that the entropy generation decreases when the temperature increases whereas increasing the Brickman number increases entropy generation.

Beating the limits with initial correlations

NASA Astrophysics Data System (ADS)

Basilewitsch, Daniel; Schmidt, Rebecca; Sugny, Dominique; Maniscalco, Sabrina; Koch, Christiane P.

2017-11-01

Fast and reliable reset of a qubit is a key prerequisite for any quantum technology. For real world open quantum systems undergoing non-Markovian dynamics, reset implies not only purification, but in particular erasure of initial correlations between qubit and environment. Here, we derive optimal reset protocols using a combination of geometric and numerical control theory. For factorizing initial states, we find a lower limit for the entropy reduction of the qubit as well as a speed limit. The time-optimal solution is determined by the maximum coupling strength. Initial correlations, remarkably, allow for faster reset and smaller errors. Entanglement is not necessary.

Quantum entropy and uncertainty for two-mode squeezed, coherent and intelligent spin states

NASA Technical Reports Server (NTRS)

Aragone, C.; Mundarain, D.

1993-01-01

We compute the quantum entropy for monomode and two-mode systems set in squeezed states. Thereafter, the quantum entropy is also calculated for angular momentum algebra when the system is either in a coherent or in an intelligent spin state. These values are compared with the corresponding values of the respective uncertainties. In general, quantum entropies and uncertainties have the same minimum and maximum points. However, for coherent and intelligent spin states, it is found that some minima for the quantum entropy turn out to be uncertainty maxima. We feel that the quantum entropy we use provides the right answer, since it is given in an essentially unique way.

Entropy and climate. I - ERBE observations of the entropy production of the earth

NASA Technical Reports Server (NTRS)

Stephens, G. L.; O'Brien, D. M.

1993-01-01

An approximate method for estimating the global distributions of the entropy fluxes flowing through the upper boundary of the climate system is introduced, and an estimate of the entropy exchange between the earth and space and the entropy production of the planet is provided. Entropy fluxes calculated from the Earth Radiation Budget Experiment measurements show how the long-wave entropy flux densities dominate the total entropy fluxes at all latitudes compared with the entropy flux densities associated with reflected sunlight, although the short-wave flux densities are important in the context of clear sky-cloudy sky net entropy flux differences. It is suggested that the entropy production of the planet is both constant for the 36 months of data considered and very near its maximum possible value. The mean value of this production is 0.68 x 10 exp 15 W/K, and the amplitude of the annual cycle is approximately 1 to 2 percent of this value.

Mixed memory, (non) Hurst effect, and maximum entropy of rainfall in the tropical Andes

NASA Astrophysics Data System (ADS)

Poveda, Germán

2011-02-01

Diverse linear and nonlinear statistical parameters of rainfall under aggregation in time and the kind of temporal memory are investigated. Data sets from the Andes of Colombia at different resolutions (15 min and 1-h), and record lengths (21 months and 8-40 years) are used. A mixture of two timescales is found in the autocorrelation and autoinformation functions, with short-term memory holding for time lags less than 15-30 min, and long-term memory onwards. Consistently, rainfall variance exhibits different temporal scaling regimes separated at 15-30 min and 24 h. Tests for the Hurst effect evidence the frailty of the R/ S approach in discerning the kind of memory in high resolution rainfall, whereas rigorous statistical tests for short-memory processes do reject the existence of the Hurst effect. Rainfall information entropy grows as a power law of aggregation time, S( T) ˜ Tβ with < β> = 0.51, up to a timescale, TMaxEnt (70-202 h), at which entropy saturates, with β = 0 onwards. Maximum entropy is reached through a dynamic Generalized Pareto distribution, consistently with the maximum information-entropy principle for heavy-tailed random variables, and with its asymptotically infinitely divisible property. The dynamics towards the limit distribution is quantified. Tsallis q-entropies also exhibit power laws with T, such that Sq( T) ˜ Tβ( q) , with β( q) ⩽ 0 for q ⩽ 0, and β( q) ≃ 0.5 for q ⩾ 1. No clear patterns are found in the geographic distribution within and among the statistical parameters studied, confirming the strong variability of tropical Andean rainfall.

Optimizing an estuarine water quality monitoring program through an entropy-based hierarchical spatiotemporal Bayesian framework

NASA Astrophysics Data System (ADS)

Alameddine, Ibrahim; Karmakar, Subhankar; Qian, Song S.; Paerl, Hans W.; Reckhow, Kenneth H.

2013-10-01

The total maximum daily load program aims to monitor more than 40,000 standard violations in around 20,000 impaired water bodies across the United States. Given resource limitations, future monitoring efforts have to be hedged against the uncertainties in the monitored system, while taking into account existing knowledge. In that respect, we have developed a hierarchical spatiotemporal Bayesian model that can be used to optimize an existing monitoring network by retaining stations that provide the maximum amount of information, while identifying locations that would benefit from the addition of new stations. The model assumes the water quality parameters are adequately described by a joint matrix normal distribution. The adopted approach allows for a reduction in redundancies, while emphasizing information richness rather than data richness. The developed approach incorporates the concept of entropy to account for the associated uncertainties. Three different entropy-based criteria are adopted: total system entropy, chlorophyll-a standard violation entropy, and dissolved oxygen standard violation entropy. A multiple attribute decision making framework is adopted to integrate the competing design criteria and to generate a single optimal design. The approach is implemented on the water quality monitoring system of the Neuse River Estuary in North Carolina, USA. The model results indicate that the high priority monitoring areas identified by the total system entropy and the dissolved oxygen violation entropy criteria are largely coincident. The monitoring design based on the chlorophyll-a standard violation entropy proved to be less informative, given the low probabilities of violating the water quality standard in the estuary.

Competition between Homophily and Information Entropy Maximization in Social Networks

PubMed Central

Zhao, Jichang; Liang, Xiao; Xu, Ke

2015-01-01

In social networks, it is conventionally thought that two individuals with more overlapped friends tend to establish a new friendship, which could be stated as homophily breeding new connections. While the recent hypothesis of maximum information entropy is presented as the possible origin of effective navigation in small-world networks. We find there exists a competition between information entropy maximization and homophily in local structure through both theoretical and experimental analysis. This competition suggests that a newly built relationship between two individuals with more common friends would lead to less information entropy gain for them. We demonstrate that in the evolution of the social network, both of the two assumptions coexist. The rule of maximum information entropy produces weak ties in the network, while the law of homophily makes the network highly clustered locally and the individuals would obtain strong and trust ties. A toy model is also presented to demonstrate the competition and evaluate the roles of different rules in the evolution of real networks. Our findings could shed light on the social network modeling from a new perspective. PMID:26334994

Nonequilibrium thermodynamics and maximum entropy production in the Earth system: applications and implications.

PubMed

Kleidon, Axel

2009-06-01

The Earth system is maintained in a unique state far from thermodynamic equilibrium, as, for instance, reflected in the high concentration of reactive oxygen in the atmosphere. The myriad of processes that transform energy, that result in the motion of mass in the atmosphere, in oceans, and on land, processes that drive the global water, carbon, and other biogeochemical cycles, all have in common that they are irreversible in their nature. Entropy production is a general consequence of these processes and measures their degree of irreversibility. The proposed principle of maximum entropy production (MEP) states that systems are driven to steady states in which they produce entropy at the maximum possible rate given the prevailing constraints. In this review, the basics of nonequilibrium thermodynamics are described, as well as how these apply to Earth system processes. Applications of the MEP principle are discussed, ranging from the strength of the atmospheric circulation, the hydrological cycle, and biogeochemical cycles to the role that life plays in these processes. Nonequilibrium thermodynamics and the MEP principle have potentially wide-ranging implications for our understanding of Earth system functioning, how it has evolved in the past, and why it is habitable. Entropy production allows us to quantify an objective direction of Earth system change (closer to vs further away from thermodynamic equilibrium, or, equivalently, towards a state of MEP). When a maximum in entropy production is reached, MEP implies that the Earth system reacts to perturbations primarily with negative feedbacks. In conclusion, this nonequilibrium thermodynamic view of the Earth system shows great promise to establish a holistic description of the Earth as one system. This perspective is likely to allow us to better understand and predict its function as one entity, how it has evolved in the past, and how it is modified by human activities in the future.

Nonlinear dynamics of two-dimensional electron plasma

NASA Astrophysics Data System (ADS)

Matthaeus, W. H.; Servidio, S.; Rodgers, D.; Montgomery, D. C.; Mitchell, T.; Aziz, T.

2008-12-01

The turbulent relaxation of a magnetized two dimensional (2D) electron plasma experiment has been investigated. The nonlinear dynamics of this kind of plasma can be approximated in leading order as a 2D guiding center fluid, which behaves in complete analogy to the 2D Euler equations. Departures form this analogy include dissipative and three dimensional effects. Here we examine the characteristics of the experimental data and compare these to solutions of 2D dissipative Navier Stokes equations. We find, perhaps remarkably, that the two systems show similar time histories, including increase of entropy and decrease of the ratio of enstrophy-to-energy. Attempts to re-examine the theories of selective decay and maximum entropy are reviewed, including difficulties that are peculiar to the one species case. Distinguishing between these possibilities has potentially important implications for self organizing systems in space and astrophysical plasmas, including the ionosphere and solar corona. Research supported by DOE grant DE- FG02-06ER54853.

Beyond maximum entropy: Fractal pixon-based image reconstruction

NASA Technical Reports Server (NTRS)

Puetter, R. C.; Pina, R. K.

1994-01-01

We have developed a new Bayesian image reconstruction method that has been shown to be superior to the best implementations of other methods, including Goodness-of-Fit (e.g. Least-Squares and Lucy-Richardson) and Maximum Entropy (ME). Our new method is based on the concept of the pixon, the fundamental, indivisible unit of picture information. Use of the pixon concept provides an improved image model, resulting in an image prior which is superior to that of standard ME.

Applications of the principle of maximum entropy: from physics to ecology.

PubMed

Banavar, Jayanth R; Maritan, Amos; Volkov, Igor

2010-02-17

There are numerous situations in physics and other disciplines which can be described at different levels of detail in terms of probability distributions. Such descriptions arise either intrinsically as in quantum mechanics, or because of the vast amount of details necessary for a complete description as, for example, in Brownian motion and in many-body systems. We show that an application of the principle of maximum entropy for estimating the underlying probability distribution can depend on the variables used for describing the system. The choice of characterization of the system carries with it implicit assumptions about fundamental attributes such as whether the system is classical or quantum mechanical or equivalently whether the individuals are distinguishable or indistinguishable. We show that the correct procedure entails the maximization of the relative entropy subject to known constraints and, additionally, requires knowledge of the behavior of the system in the absence of these constraints. We present an application of the principle of maximum entropy to understanding species diversity in ecology and introduce a new statistical ensemble corresponding to the distribution of a variable population of individuals into a set of species not defined a priori.

Entropy Methods For Univariate Distributions in Decision Analysis

NASA Astrophysics Data System (ADS)

Abbas, Ali E.

2003-03-01

One of the most important steps in decision analysis practice is the elicitation of the decision-maker's belief about an uncertainty of interest in the form of a representative probability distribution. However, the probability elicitation process is a task that involves many cognitive and motivational biases. Alternatively, the decision-maker may provide other information about the distribution of interest, such as its moments, and the maximum entropy method can be used to obtain a full distribution subject to the given moment constraints. In practice however, decision makers cannot readily provide moments for the distribution, and are much more comfortable providing information about the fractiles of the distribution of interest or bounds on its cumulative probabilities. In this paper we present a graphical method to determine the maximum entropy distribution between upper and lower probability bounds and provide an interpretation for the shape of the maximum entropy distribution subject to fractile constraints, (FMED). We also discuss the problems with the FMED in that it is discontinuous and flat over each fractile interval. We present a heuristic approximation to a distribution if in addition to its fractiles, we also know it is continuous and work through full examples to illustrate the approach.

Investigations on entropy layer along hypersonic hyperboloids using a defect boundary layer

NASA Technical Reports Server (NTRS)

Brazier, J. P.; Aupoix, B.; Cousteix, J.

1992-01-01

A defect approach coupled with matched asymptotic expansions is used to derive a new set of boundary layer equations. This method ensures a smooth matching of the boundary layer with the inviscid solution. These equations are solved to calculate boundary layers over hypersonic blunt bodies involving the entropy gradient effect. Systematic comparisons are made for both axisymmetric and plane flows in several cases with different Mach and Reynolds numbers. After a brief survey of the entropy layer characteristics, the defect boundary layer results are compared with standard boundary layer and full Navier-Stokes solutions. The entropy gradient effects are found to be more important in the axisymmetric case than in the plane one. The wall temperature has a great influence on the results through the displacement effect. Good predictions can be obtained with the defect approach over a cold wall in the nose region, with a first order solution. However, the defect approach gives less accurate results far from the nose on axisymmetric bodies because of the thinning of the entropy layer.

The Brandeis Dice Problem and Statistical Mechanics

NASA Astrophysics Data System (ADS)

van Enk, Steven J.

2014-11-01

Jaynes invented the Brandeis Dice Problem as a simple illustration of the MaxEnt (Maximum Entropy) procedure that he had demonstrated to work so well in Statistical Mechanics. I construct here two alternative solutions to his toy problem. One, like Jaynes' solution, uses MaxEnt and yields an analog of the canonical ensemble, but at a different level of description. The other uses Bayesian updating and yields an analog of the micro-canonical ensemble. Both, unlike Jaynes' solution, yield error bars, whose operational merits I discuss. These two alternative solutions are not equivalent for the original Brandeis Dice Problem, but become so in what must, therefore, count as the analog of the thermodynamic limit, M-sided dice with M → ∞. Whereas the mathematical analogies between the dice problem and Stat Mech are quite close, there are physical properties that the former lacks but that are crucial to the workings of the latter. Stat Mech is more than just MaxEnt.

On Use of Multi-Chambered Fission Detectors for In-Core, Neutron Spectroscopy

NASA Astrophysics Data System (ADS)

Roberts, Jeremy A.

2018-01-01

Presented is a short, computational study on the potential use of multichambered fission detectors for in-core, neutron spectroscopy. Motivated by the development of very small fission chambers at CEA in France and at Kansas State University in the U.S., it was assumed in this preliminary analysis that devices can be made small enough to avoid flux perturbations and that uncertainties related to measurements can be ignored. It was hypothesized that a sufficient number of chambers with unique reactants can act as a real-time, foilactivation experiment. An unfolding scheme based on maximizing (Shannon) entropy was used to produce a flux spectrum from detector signals that requires no prior information. To test the method, integral, detector responses were generated for singleisotope detectors of various Th, U, Np, Pu, Am, and Cs isotopes using a simplified, pressurized-water reactor spectrum and fluxweighted, microscopic, fission cross sections, in the WIMS-69 multigroup format. An unfolded spectrum was found from subsets of these responses that had a maximum entropy while reproducing the responses considered and summing to one (that is, they were normalized). Several nuclide subsets were studied, and, as expected, the results indicate inclusion of more nuclides leads to better spectra but with diminishing improvements, with the best-case spectrum having an average, relative, group-wise error of approximately 51%. Furthermore, spectra found from minimum-norm and Tihkonov-regularization inversion were of lower quality than the maximum entropy solutions. Finally, the addition of thermal-neutron filters (here, Cd and Gd) provided substantial improvement over unshielded responses alone. The results, as a whole, suggest that in-core, neutron spectroscopy is at least marginally feasible.

Clauser-Horne-Shimony-Holt violation and the entropy-concurrence plane

DOE Office of Scientific and Technical Information (OSTI.GOV)

Derkacz, Lukasz; Jakobczyk, Lech

2005-10-15

We characterize violation of Clauser-Horne-Shimony-Holt (CHSH) inequalities for mixed two-qubit states by their mixedness and entanglement. The class of states that have maximum degree of CHSH violation for a given linear entropy is also constructed.

Limits to anaerobic energy and cytosolic concentration in the living cell.

PubMed

Paglietti, A

2015-01-01

For many physical systems at any given temperature, the set of all states where the system's free energy reaches its largest value can be determined from the system's constitutive equations of internal energy and entropy, once a state of that set is known. Such an approach is fraught with complications when applied to a living cell, because the cell's cytosol contains thousands of solutes, and thus thousands of state variables, which makes determination of its state impractical. We show here that, when looking for the maximum energy that the cytosol can store and release, detailed information on cytosol composition is redundant. Compatibility with cell's life requires that a single variable that represents the overall concentration of cytosol solutes must fall between defined limits, which can be determined by dehydrating and overhydrating the cell to its maximum capacity. The same limits are shown to determine, in particular, the maximum amount of free energy that a cell can supply in fast anaerobic processes, starting from any given initial state. For a typical skeletal muscle in normal physiological conditions this energy, i.e., the maximum anaerobic capacity to do work, is calculated to be about 960 J per kg of muscular mass. Such energy decreases as the overall concentration of solutes in the cytosol is increased. Similar results apply to any kind of cell. They provide an essential tool to understand and control the macroscopic response of single cells and multicellular cellular tissues alike. The applications include sport physiology, cell aging, disease produced cell damage, drug absorption capacity, to mention the most obvious ones.

Limits to anaerobic energy and cytosolic concentration in the living cell

NASA Astrophysics Data System (ADS)

Paglietti, A.

2015-11-01

For many physical systems at any given temperature, the set of all states where the system's free energy reaches its largest value can be determined from the system's constitutive equations of internal energy and entropy, once a state of that set is known. Such an approach is fraught with complications when applied to a living cell, because the cell's cytosol contains thousands of solutes, and thus thousands of state variables, which makes determination of its state impractical. We show here that, when looking for the maximum energy that the cytosol can store and release, detailed information on cytosol composition is redundant. Compatibility with cell's life requires that a single variable that represents the overall concentration of cytosol solutes must fall between defined limits, which can be determined by dehydrating and overhydrating the cell to its maximum capacity. The same limits are shown to determine, in particular, the maximum amount of free energy that a cell can supply in fast anaerobic processes, starting from any given initial state. For a typical skeletal muscle in normal physiological conditions this energy, i.e., the maximum anaerobic capacity to do work, is calculated to be about 960 J per kg of muscular mass. Such energy decreases as the overall concentration of solutes in the cytosol is increased. Similar results apply to any kind of cell. They provide an essential tool to understand and control the macroscopic response of single cells and multicellular cellular tissues alike. The applications include sport physiology, cell aging, disease produced cell damage, drug absorption capacity, to mention the most obvious ones.

On the Structure of {L^∞}-Entropy Solutions to Scalar Conservation Laws in One-Space Dimension

NASA Astrophysics Data System (ADS)

Bianchini, S.; Marconi, E.

2017-10-01

We prove that if u is the entropy solution to a scalar conservation law in one space dimension, then the entropy dissipation is a measure concentrated on countably many Lipschitz curves. This result is a consequence of a detailed analysis of the structure of the characteristics. In particular, the characteristic curves are segments outside a countably 1-rectifiable set and the left and right traces of the solution exist in a C 0-sense up to the degeneracy due to the segments where {f''=0}. We prove also that the initial data is taken in a suitably strong sense and we give some examples which show that these results are sharp.

Maximum entropy, fluctuations and priors

NASA Astrophysics Data System (ADS)

Caticha, A.

2001-05-01

The method of maximum entropy (ME) is extended to address the following problem: Once one accepts that the ME distribution is to be preferred over all others, the question is to what extent are distributions with lower entropy supposed to be ruled out. Two applications are given. The first is to the theory of thermodynamic fluctuations. The formulation is exact, covariant under changes of coordinates, and allows fluctuations of both the extensive and the conjugate intensive variables. The second application is to the construction of an objective prior for Bayesian inference. The prior obtained by following the ME method to its inevitable conclusion turns out to be a special case (α=1) of what are currently known under the name of entropic priors. .

Thermodynamic studies of aqueous solutions of 2,2,2-cryptand at 298.15 K: enthalpy-entropy compensation, partial entropies, and complexation with K+ ions.

PubMed

Shaikh, Vasim R; Terdale, Santosh S; Ahamad, Abdul; Gupta, Gaurav R; Dagade, Dilip H; Hundiwale, Dilip G; Patil, Kesharsingh J

2013-12-19

The osmotic coefficient measurements for binary aqueous solutions of 2,2,2-cryptand (4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8] hexacosane) in the concentration range of ~0.009 to ~0.24 mol·kg(-1) and in ternary aqueous solutions containing a fixed concentration of 2,2,2-cryptand of ~0.1 mol·kg(-1) with varying concentration of KBr (~0.06 to ~0.16 mol·kg(-1)) have been reported at 298.15 K. The diamine gets hydrolyzed in aqueous solutions and needs proper approach to obtain meaningful thermodynamic properties. The measured osmotic coefficient values are corrected for hydrolysis and are used to determine the solvent activity and mean ionic activity coefficients of solute as a function of concentration. Strong ion-pair formation is observed, and the ion-pair dissociation constant for the species [CrptH](+)[OH(-)] is reported. The excess and mixing thermodynamic properties (Gibbs free energy, enthalpy, and entropy changes) have been obtained using the activity data from this study and the heat data reported in the literature. Further, the data are utilized to compute the partial molal entropies of solvent and solute at finite as well as infinite dilution of 2,2,2-cryptand in water. The concentration dependent non-linear enthalpy-entropy compensation effect has been observed for the studied system, and the compensation temperature along with entropic parameter are reported. Using solute activity coefficient data in ternary solutions, the transfer Gibbs free energies for transfer of the cryptand from water to aqueous KBr as well as transfer of KBr from water to aqueous cryptand were obtained and utilized to obtain the salting constant (ks) and thermodynamic equilibrium constant (log K) values for the complex (2,2,2-cryptand:K(+)) at 298.15 K. The value of log K = 5.8 ± 0.1 obtained in this work is found to be in good agreement with that reported by Lehn and Sauvage. The standard molar entropy for complexation is also estimated for the 2,2,2-cryptand-KBr complex in aqueous medium.

REMARKS ON THE MAXIMUM ENTROPY METHOD APPLIED TO FINITE TEMPERATURE LATTICE QCD.

DOE Office of Scientific and Technical Information (OSTI.GOV)

UMEDA, T.; MATSUFURU, H.

2005-07-25

We make remarks on the Maximum Entropy Method (MEM) for studies of the spectral function of hadronic correlators in finite temperature lattice QCD. We discuss the virtues and subtlety of MEM in the cases that one does not have enough number of data points such as at finite temperature. Taking these points into account, we suggest several tests which one should examine to keep the reliability for the results, and also apply them using mock and lattice QCD data.

It is not the entropy you produce, rather, how you produce it

PubMed Central

Volk, Tyler; Pauluis, Olivier

2010-01-01

The principle of maximum entropy production (MEP) seeks to better understand a large variety of the Earth's environmental and ecological systems by postulating that processes far from thermodynamic equilibrium will ‘adapt to steady states at which they dissipate energy and produce entropy at the maximum possible rate’. Our aim in this ‘outside view’, invited by Axel Kleidon, is to focus on what we think is an outstanding challenge for MEP and for irreversible thermodynamics in general: making specific predictions about the relative contribution of individual processes to entropy production. Using studies that compared entropy production in the atmosphere of a dry versus humid Earth, we show that two systems might have the same entropy production rate but very different internal dynamics of dissipation. Using the results of several of the papers in this special issue and a thought experiment, we show that components of life-containing systems can evolve to either lower or raise the entropy production rate. Our analysis makes explicit fundamental questions for MEP that should be brought into focus: can MEP predict not just the overall state of entropy production of a system but also the details of the sub-systems of dissipaters within the system? Which fluxes of the system are those that are most likely to be maximized? How it is possible for MEP theory to be so domain-neutral that it can claim to apply equally to both purely physical–chemical systems and also systems governed by the ‘laws’ of biological evolution? We conclude that the principle of MEP needs to take on the issue of exactly how entropy is produced. PMID:20368249

MoNbTaV Medium-Entropy Alloy

DOE PAGES

Yao, Hongwei; Qiao, Jun -Wei; Gao, Michael; ...

2016-05-19

Guided by CALPHAD (Calculation of Phase Diagrams) modeling, the refractory medium-entropy alloy MoNbTaV was synthesized by vacuum arc melting under a high-purity argon atmosphere. A body-centered cubic solid solution phase was experimentally confirmed in the as-cast ingot using X-ray diffraction and scanning electron microscopy. The measured lattice parameter of the alloy (3.208 Å) obeys the rule of mixtures (ROM), but the Vickers microhardness (4.95 GPa) and the yield strength (1.5 GPa) are about 4.5 and 4.6 times those estimated from the ROM, respectively. Using a simple model on solid solution strengthening predicts a yield strength of approximately 1.5 GPa. Inmore » conclusion, thermodynamic analysis shows that the total entropy of the alloy is more than three times the configurational entropy at room temperature, and the entropy of mixing exhibits a small negative departure from ideal mixing.« less

On the asymptotic behavior of a subcritical convection-diffusion equation with nonlocal diffusion

NASA Astrophysics Data System (ADS)

Cazacu, Cristian M.; Ignat, Liviu I.; Pazoto, Ademir F.

2017-08-01

In this paper we consider a subcritical model that involves nonlocal diffusion and a classical convective term. In spite of the nonlocal diffusion, we obtain an Oleinik type estimate similar to the case when the diffusion is local. First we prove that the entropy solution can be obtained by adding a small viscous term μ uxx and letting μ\\to 0 . Then, by using uniform Oleinik estimates for the viscous approximation we are able to prove the well-posedness of the entropy solutions with L 1-initial data. Using a scaling argument and hyperbolic estimates given by Oleinik’s inequality, we obtain the first term in the asymptotic behavior of the nonnegative solutions. Finally, the large time behavior of changing sign solutions is proved using the classical flux-entropy method and estimates for the nonlocal operator.

Functional entropy variables: A new methodology for deriving thermodynamically consistent algorithms for complex fluids, with particular reference to the isothermal Navier–Stokes–Korteweg equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Ju, E-mail: jliu@ices.utexas.edu; Gomez, Hector; Evans, John A.

2013-09-01

We propose a new methodology for the numerical solution of the isothermal Navier–Stokes–Korteweg equations. Our methodology is based on a semi-discrete Galerkin method invoking functional entropy variables, a generalization of classical entropy variables, and a new time integration scheme. We show that the resulting fully discrete scheme is unconditionally stable-in-energy, second-order time-accurate, and mass-conservative. We utilize isogeometric analysis for spatial discretization and verify the aforementioned properties by adopting the method of manufactured solutions and comparing coarse mesh solutions with overkill solutions. Various problems are simulated to show the capability of the method. Our methodology provides a means of constructing unconditionallymore » stable numerical schemes for nonlinear non-convex hyperbolic systems of conservation laws.« less

Reconstruction of calmodulin single-molecule FRET states, dye interactions, and CaMKII peptide binding by MultiNest and classic maximum entropy

NASA Astrophysics Data System (ADS)

DeVore, Matthew S.; Gull, Stephen F.; Johnson, Carey K.

2013-08-01

We analyzed single molecule FRET burst measurements using Bayesian nested sampling. The MultiNest algorithm produces accurate FRET efficiency distributions from single-molecule data. FRET efficiency distributions recovered by MultiNest and classic maximum entropy are compared for simulated data and for calmodulin labeled at residues 44 and 117. MultiNest compares favorably with maximum entropy analysis for simulated data, judged by the Bayesian evidence. FRET efficiency distributions recovered for calmodulin labeled with two different FRET dye pairs depended on the dye pair and changed upon Ca2+ binding. We also looked at the FRET efficiency distributions of calmodulin bound to the calcium/calmodulin dependent protein kinase II (CaMKII) binding domain. For both dye pairs, the FRET efficiency distribution collapsed to a single peak in the case of calmodulin bound to the CaMKII peptide. These measurements strongly suggest that consideration of dye-protein interactions is crucial in forming an accurate picture of protein conformations from FRET data.

Reconstruction of Calmodulin Single-Molecule FRET States, Dye-Interactions, and CaMKII Peptide Binding by MultiNest and Classic Maximum Entropy

PubMed Central

DeVore, Matthew S.; Gull, Stephen F.; Johnson, Carey K.

2013-01-01

We analyze single molecule FRET burst measurements using Bayesian nested sampling. The MultiNest algorithm produces accurate FRET efficiency distributions from single-molecule data. FRET efficiency distributions recovered by MultiNest and classic maximum entropy are compared for simulated data and for calmodulin labeled at residues 44 and 117. MultiNest compares favorably with maximum entropy analysis for simulated data, judged by the Bayesian evidence. FRET efficiency distributions recovered for calmodulin labeled with two different FRET dye pairs depended on the dye pair and changed upon Ca2+ binding. We also looked at the FRET efficiency distributions of calmodulin bound to the calcium/calmodulin dependent protein kinase II (CaMKII) binding domain. For both dye pairs, the FRET efficiency distribution collapsed to a single peak in the case of calmodulin bound to the CaMKII peptide. These measurements strongly suggest that consideration of dye-protein interactions is crucial in forming an accurate picture of protein conformations from FRET data. PMID:24223465

Perspective: Maximum caliber is a general variational principle for dynamical systems

NASA Astrophysics Data System (ADS)

Dixit, Purushottam D.; Wagoner, Jason; Weistuch, Corey; Pressé, Steve; Ghosh, Kingshuk; Dill, Ken A.

2018-01-01

We review here Maximum Caliber (Max Cal), a general variational principle for inferring distributions of paths in dynamical processes and networks. Max Cal is to dynamical trajectories what the principle of maximum entropy is to equilibrium states or stationary populations. In Max Cal, you maximize a path entropy over all possible pathways, subject to dynamical constraints, in order to predict relative path weights. Many well-known relationships of non-equilibrium statistical physics—such as the Green-Kubo fluctuation-dissipation relations, Onsager's reciprocal relations, and Prigogine's minimum entropy production—are limited to near-equilibrium processes. Max Cal is more general. While it can readily derive these results under those limits, Max Cal is also applicable far from equilibrium. We give examples of Max Cal as a method of inference about trajectory distributions from limited data, finding reaction coordinates in bio-molecular simulations, and modeling the complex dynamics of non-thermal systems such as gene regulatory networks or the collective firing of neurons. We also survey its basis in principle and some limitations.

Reconstruction of Calmodulin Single-Molecule FRET States, Dye-Interactions, and CaMKII Peptide Binding by MultiNest and Classic Maximum Entropy.

PubMed

Devore, Matthew S; Gull, Stephen F; Johnson, Carey K

2013-08-30

We analyze single molecule FRET burst measurements using Bayesian nested sampling. The MultiNest algorithm produces accurate FRET efficiency distributions from single-molecule data. FRET efficiency distributions recovered by MultiNest and classic maximum entropy are compared for simulated data and for calmodulin labeled at residues 44 and 117. MultiNest compares favorably with maximum entropy analysis for simulated data, judged by the Bayesian evidence. FRET efficiency distributions recovered for calmodulin labeled with two different FRET dye pairs depended on the dye pair and changed upon Ca 2+ binding. We also looked at the FRET efficiency distributions of calmodulin bound to the calcium/calmodulin dependent protein kinase II (CaMKII) binding domain. For both dye pairs, the FRET efficiency distribution collapsed to a single peak in the case of calmodulin bound to the CaMKII peptide. These measurements strongly suggest that consideration of dye-protein interactions is crucial in forming an accurate picture of protein conformations from FRET data.

Estimation of Lithological Classification in Taipei Basin: A Bayesian Maximum Entropy Method

NASA Astrophysics Data System (ADS)

Wu, Meng-Ting; Lin, Yuan-Chien; Yu, Hwa-Lung

2015-04-01

In environmental or other scientific applications, we must have a certain understanding of geological lithological composition. Because of restrictions of real conditions, only limited amount of data can be acquired. To find out the lithological distribution in the study area, many spatial statistical methods used to estimate the lithological composition on unsampled points or grids. This study applied the Bayesian Maximum Entropy (BME method), which is an emerging method of the geological spatiotemporal statistics field. The BME method can identify the spatiotemporal correlation of the data, and combine not only the hard data but the soft data to improve estimation. The data of lithological classification is discrete categorical data. Therefore, this research applied Categorical BME to establish a complete three-dimensional Lithological estimation model. Apply the limited hard data from the cores and the soft data generated from the geological dating data and the virtual wells to estimate the three-dimensional lithological classification in Taipei Basin. Keywords: Categorical Bayesian Maximum Entropy method, Lithological Classification, Hydrogeological Setting

Perspective: Maximum caliber is a general variational principle for dynamical systems.

PubMed

Dixit, Purushottam D; Wagoner, Jason; Weistuch, Corey; Pressé, Steve; Ghosh, Kingshuk; Dill, Ken A

2018-01-07

We review here Maximum Caliber (Max Cal), a general variational principle for inferring distributions of paths in dynamical processes and networks. Max Cal is to dynamical trajectories what the principle of maximum entropy is to equilibrium states or stationary populations. In Max Cal, you maximize a path entropy over all possible pathways, subject to dynamical constraints, in order to predict relative path weights. Many well-known relationships of non-equilibrium statistical physics-such as the Green-Kubo fluctuation-dissipation relations, Onsager's reciprocal relations, and Prigogine's minimum entropy production-are limited to near-equilibrium processes. Max Cal is more general. While it can readily derive these results under those limits, Max Cal is also applicable far from equilibrium. We give examples of Max Cal as a method of inference about trajectory distributions from limited data, finding reaction coordinates in bio-molecular simulations, and modeling the complex dynamics of non-thermal systems such as gene regulatory networks or the collective firing of neurons. We also survey its basis in principle and some limitations.

Information and Entropy

NASA Astrophysics Data System (ADS)

Caticha, Ariel

2007-11-01

What is information? Is it physical? We argue that in a Bayesian theory the notion of information must be defined in terms of its effects on the beliefs of rational agents. Information is whatever constrains rational beliefs and therefore it is the force that induces us to change our minds. This problem of updating from a prior to a posterior probability distribution is tackled through an eliminative induction process that singles out the logarithmic relative entropy as the unique tool for inference. The resulting method of Maximum relative Entropy (ME), which is designed for updating from arbitrary priors given information in the form of arbitrary constraints, includes as special cases both MaxEnt (which allows arbitrary constraints) and Bayes' rule (which allows arbitrary priors). Thus, ME unifies the two themes of these workshops—the Maximum Entropy and the Bayesian methods—into a single general inference scheme that allows us to handle problems that lie beyond the reach of either of the two methods separately. I conclude with a couple of simple illustrative examples.

MaxEnt analysis of a water distribution network in Canberra, ACT, Australia

NASA Astrophysics Data System (ADS)

Waldrip, Steven H.; Niven, Robert K.; Abel, Markus; Schlegel, Michael; Noack, Bernd R.

2015-01-01

A maximum entropy (MaxEnt) method is developed to infer the state of a pipe flow network, for situations in which there is insufficient information to form a closed equation set. This approach substantially extends existing deterministic methods for the analysis of engineered flow networks (e.g. Newton's method or the Hardy Cross scheme). The network is represented as an undirected graph structure, in which the uncertainty is represented by a continuous relative entropy on the space of internal and external flow rates. The head losses (potential differences) on the network are treated as dependent variables, using specified pipe-flow resistance functions. The entropy is maximised subject to "observable" constraints on the mean values of certain flow rates and/or potential differences, and also "physical" constraints arising from the frictional properties of each pipe and from Kirchhoff's nodal and loop laws. A numerical method is developed in Matlab for solution of the integral equation system, based on multidimensional quadrature. Several nonlinear resistance functions (e.g. power-law and Colebrook) are investigated, necessitating numerical solution of the implicit Lagrangian by a double iteration scheme. The method is applied to a 1123-node, 1140-pipe water distribution network for the suburb of Torrens in the Australian Capital Territory, Australia, using network data supplied by water authority ACTEW Corporation Limited. A number of different assumptions are explored, including various network geometric representations, prior probabilities and constraint settings, yielding useful predictions of network demand and performance. We also propose this methodology be used in conjunction with in-flow monitoring systems, to obtain better inferences of user consumption without large investments in monitoring equipment and maintenance.

Development and application of the maximum entropy method and other spectral estimation techniques

NASA Astrophysics Data System (ADS)

King, W. R.

1980-09-01

This summary report is a collection of four separate progress reports prepared under three contracts, which are all sponsored by the Office of Naval Research in Arlington, Virginia. This report contains the results of investigations into the application of the maximum entropy method (MEM), a high resolution, frequency and wavenumber estimation technique. The report also contains a description of two, new, stable, high resolution spectral estimation techniques that is provided in the final report section. Many examples of wavenumber spectral patterns for all investigated techniques are included throughout the report. The maximum entropy method is also known as the maximum entropy spectral analysis (MESA) technique, and both names are used in the report. Many MEM wavenumber spectral patterns are demonstrated using both simulated and measured radar signal and noise data. Methods for obtaining stable MEM wavenumber spectra are discussed, broadband signal detection using the MEM prediction error transform (PET) is discussed, and Doppler radar narrowband signal detection is demonstrated using the MEM technique. It is also shown that MEM cannot be applied to randomly sampled data. The two new, stable, high resolution, spectral estimation techniques discussed in the final report section, are named the Wiener-King and the Fourier spectral estimation techniques. The two new techniques have a similar derivation based upon the Wiener prediction filter, but the two techniques are otherwise quite different. Further development of the techniques and measurement of the technique spectral characteristics is recommended for subsequent investigation.

Molecular extended thermodynamics of rarefied polyatomic gases and wave velocities for increasing number of moments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arima, Takashi, E-mail: tks@stat.nitech.ac.jp; Mentrelli, Andrea, E-mail: andrea.mentrelli@unibo.it; Ruggeri, Tommaso, E-mail: tommaso.ruggeri@unibo.it

Molecular extended thermodynamics of rarefied polyatomic gases is characterized by two hierarchies of equations for moments of a suitable distribution function in which the internal degrees of freedom of a molecule is taken into account. On the basis of physical relevance the truncation orders of the two hierarchies are proven to be not independent on each other, and the closure procedures based on the maximum entropy principle (MEP) and on the entropy principle (EP) are proven to be equivalent. The characteristic velocities of the emerging hyperbolic system of differential equations are compared to those obtained for monatomic gases and themore » lower bound estimate for the maximum equilibrium characteristic velocity established for monatomic gases (characterized by only one hierarchy for moments with truncation order of moments N) by Boillat and Ruggeri (1997) (λ{sub (N)}{sup E,max})/(c{sub 0}) ⩾√(6/5 (N−1/2 )),(c{sub 0}=√(5/3 k/m T)) is proven to hold also for rarefied polyatomic gases independently from the degrees of freedom of a molecule. -- Highlights: •Molecular extended thermodynamics of rarefied polyatomic gases is studied. •The relation between two hierarchies of equations for moments is derived. •The equivalence of maximum entropy principle and entropy principle is proven. •The characteristic velocities are compared to those of monatomic gases. •The lower bound of the maximum characteristic velocity is estimated.« less

Quantum Rényi relative entropies affirm universality of thermodynamics.

PubMed

Misra, Avijit; Singh, Uttam; Bera, Manabendra Nath; Rajagopal, A K

2015-10-01

We formulate a complete theory of quantum thermodynamics in the Rényi entropic formalism exploiting the Rényi relative entropies, starting from the maximum entropy principle. In establishing the first and second laws of quantum thermodynamics, we have correctly identified accessible work and heat exchange in both equilibrium and nonequilibrium cases. The free energy (internal energy minus temperature times entropy) remains unaltered, when all the entities entering this relation are suitably defined. Exploiting Rényi relative entropies we have shown that this "form invariance" holds even beyond equilibrium and has profound operational significance in isothermal process. These results reduce to the Gibbs-von Neumann results when the Rényi entropic parameter α approaches 1. Moreover, it is shown that the universality of the Carnot statement of the second law is the consequence of the form invariance of the free energy, which is in turn the consequence of maximum entropy principle. Further, the Clausius inequality, which is the precursor to the Carnot statement, is also shown to hold based on the data processing inequalities for the traditional and sandwiched Rényi relative entropies. Thus, we find that the thermodynamics of nonequilibrium state and its deviation from equilibrium together determine the thermodynamic laws. This is another important manifestation of the concepts of information theory in thermodynamics when they are extended to the quantum realm. Our work is a substantial step towards formulating a complete theory of quantum thermodynamics and corresponding resource theory.

Low Streamflow Forcasting using Minimum Relative Entropy

NASA Astrophysics Data System (ADS)

Cui, H.; Singh, V. P.

2013-12-01

Minimum relative entropy spectral analysis is derived in this study, and applied to forecast streamflow time series. Proposed method extends the autocorrelation in the manner that the relative entropy of underlying process is minimized so that time series data can be forecasted. Different prior estimation, such as uniform, exponential and Gaussian assumption, is taken to estimate the spectral density depending on the autocorrelation structure. Seasonal and nonseasonal low streamflow series obtained from Colorado River (Texas) under draught condition is successfully forecasted using proposed method. Minimum relative entropy determines spectral of low streamflow series with higher resolution than conventional method. Forecasted streamflow is compared to the prediction using Burg's maximum entropy spectral analysis (MESA) and Configurational entropy. The advantage and disadvantage of each method in forecasting low streamflow is discussed.

Energy conservation and maximal entropy production in enzyme reactions.

PubMed

Dobovišek, Andrej; Vitas, Marko; Brumen, Milan; Fajmut, Aleš

2017-08-01

A procedure for maximization of the density of entropy production in a single stationary two-step enzyme reaction is developed. Under the constraints of mass conservation, fixed equilibrium constant of a reaction and fixed products of forward and backward enzyme rate constants the existence of maximum in the density of entropy production is demonstrated. In the state with maximal density of entropy production the optimal enzyme rate constants, the stationary concentrations of the substrate and the product, the stationary product yield as well as the stationary reaction flux are calculated. The test, whether these calculated values of the reaction parameters are consistent with their corresponding measured values, is performed for the enzyme Glucose Isomerase. It is found that calculated and measured rate constants agree within an order of magnitude, whereas the calculated reaction flux and the product yield differ from their corresponding measured values for less than 20 % and 5 %, respectively. This indicates that the enzyme Glucose Isomerase, considered in a non-equilibrium stationary state, as found in experiments using the continuous stirred tank reactors, possibly operates close to the state with the maximum in the density of entropy production. Copyright © 2017 Elsevier B.V. All rights reserved.

Shock heating of the solar wind plasma

NASA Technical Reports Server (NTRS)

Whang, Y. C.; Liu, Shaoliang; Burlaga, L. F.

1990-01-01

The role played by shocks in heating solar-wind plasma is investigated using data on 413 shocks which were identified from the plasma and magnetic-field data collected between 1973 and 1982 by Pioneer and Voyager spacecraft. It is found that the average shock strength increased with the heliocentric distance outside 1 AU, reaching a maximum near 5 AU, after which the shock strength decreased with the distance; the entropy of the solar wind protons also reached a maximum at 5 AU. An MHD simulation model in which shock heating is the only heating mechanism available was used to calculate the entropy changes for the November 1977 event. The calculated entropy agreed well with the value calculated from observational data, suggesting that shocks are chiefly responsible for heating solar wind plasma between 1 and 15 AU.

Entropy maximization under the constraints on the generalized Gini index and its application in modeling income distributions

NASA Astrophysics Data System (ADS)

Khosravi Tanak, A.; Mohtashami Borzadaran, G. R.; Ahmadi, J.

2015-11-01

In economics and social sciences, the inequality measures such as Gini index, Pietra index etc., are commonly used to measure the statistical dispersion. There is a generalization of Gini index which includes it as special case. In this paper, we use principle of maximum entropy to approximate the model of income distribution with a given mean and generalized Gini index. Many distributions have been used as descriptive models for the distribution of income. The most widely known of these models are the generalized beta of second kind and its subclass distributions. The obtained maximum entropy distributions are fitted to the US family total money income in 2009, 2011 and 2013 and their relative performances with respect to generalized beta of second kind family are compared.

A Maximum Entropy Method for Particle Filtering

NASA Astrophysics Data System (ADS)

Eyink, Gregory L.; Kim, Sangil

2006-06-01

Standard ensemble or particle filtering schemes do not properly represent states of low priori probability when the number of available samples is too small, as is often the case in practical applications. We introduce here a set of parametric resampling methods to solve this problem. Motivated by a general H-theorem for relative entropy, we construct parametric models for the filter distributions as maximum-entropy/minimum-information models consistent with moments of the particle ensemble. When the prior distributions are modeled as mixtures of Gaussians, our method naturally generalizes the ensemble Kalman filter to systems with highly non-Gaussian statistics. We apply the new particle filters presented here to two simple test cases: a one-dimensional diffusion process in a double-well potential and the three-dimensional chaotic dynamical system of Lorenz.

Maximum entropy and equations of state for random cellular structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rivier, N.

Random, space-filling cellular structures (biological tissues, metallurgical grain aggregates, foams, etc.) are investigated. Maximum entropy inference under a few constraints yields structural equations of state, relating the size of cells to their topological shape. These relations are known empirically as Lewis's law in Botany, or Desch's relation in Metallurgy. Here, the functional form of the constraints is now known as a priori, and one takes advantage of this arbitrariness to increase the entropy further. The resulting structural equations of state are independent of priors, they are measurable experimentally and constitute therefore a direct test for the applicability of MaxEnt inferencemore » (given that the structure is in statistical equilibrium, a fact which can be tested by another simple relation (Aboav's law)). 23 refs., 2 figs., 1 tab.« less

Formation of soft magnetic high entropy amorphous alloys composites containing in situ solid solution phase

NASA Astrophysics Data System (ADS)

Wei, Ran; Sun, Huan; Chen, Chen; Tao, Juan; Li, Fushan

2018-03-01

Fe-Co-Ni-Si-B high entropy amorphous alloys composites (HEAACs), which containing high entropy solid solution phase in amorphous matrix, show good soft magnetic properties and bending ductility even in optimal annealed state, were successfully developed by melt spinning method. The crystallization phase of the HEAACs is solid solution phase with body centered cubic (BCC) structure instead of brittle intermetallic phase. In addition, the BCC phase can transformed into face centered cubic (FCC) phase with temperature rise. Accordingly, Fe-Co-Ni-Si-B high entropy alloys (HEAs) with FCC structure and a small amount of BCC phase was prepared by copper mold casting method. The HEAs exhibit high yield strength (about 1200 MPa) and good plastic strain (about 18%). Meanwhile, soft magnetic characteristics of the HEAs are largely reserved from HEAACs. This work provides a new strategy to overcome the annealing induced brittleness of amorphous alloys and design new advanced materials with excellent comprehensive properties.

Use of mutual information to decrease entropy: Implications for the second law of thermodynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lloyd, S.

1989-05-15

Several theorems on the mechanics of gathering information are proved, and the possibility of violating the second law of thermodynamics by obtaining information is discussed in light of these theorems. Maxwell's demon can lower the entropy of his surroundings by an amount equal to the difference between the maximum entropy of his recording device and its initial entropy, without generating a compensating entropy increase. A demon with human-scale recording devices can reduce the entropy of a gas by a negligible amount only, but the proof of the demon's impracticability leaves open the possibility that systems highly correlated with their environmentmore » can reduce the environment's entropy by a substantial amount without increasing entropy elsewhere. In the event that a boundary condition for the universe requires it to be in a state of low entropy when small, the correlations induced between different particle modes during the expansion phase allow the modes to behave like Maxwell's demons during the contracting phase, reducing the entropy of the universe to a low value.« less

Using simulation to interpret experimental data in terms of protein conformational ensembles.

PubMed

Allison, Jane R

2017-04-01

In their biological environment, proteins are dynamic molecules, necessitating an ensemble structural description. Molecular dynamics simulations and solution-state experiments provide complimentary information in the form of atomically detailed coordinates and averaged or distributions of structural properties or related quantities. Recently, increases in the temporal and spatial scale of conformational sampling and comparison of the more diverse conformational ensembles thus generated have revealed the importance of sampling rare events. Excitingly, new methods based on maximum entropy and Bayesian inference are promising to provide a statistically sound mechanism for combining experimental data with molecular dynamics simulations. Copyright © 2016 Elsevier Ltd. All rights reserved.

Secure TRNG with random phase stimulation

NASA Astrophysics Data System (ADS)

Wieczorek, Piotr Z.

2017-08-01

In this paper a novel TRNG concept is proposed which is a vital part of cryptographic systems. The proposed TRNG involves phase variability of a pair of ring oscillators (ROs) to force the multiple metastable events in a flip-flop (FF). In the solution, the ROs are periodically activated to ensure the violation of the FF timing and resultant state randomness, while the TRNG circuit adapts the structure of ROs to obtain the maximum entropy and circuit security. The TRNG can be implemented in inexpensive re-programmable devices (CPLDs or FPGAs) without the use of Digital Clock Managers (DCMs). Preliminary test results proved the circuit's immunity to the intentional frequency injection attacks.

Asymmetric (1+1)-dimensional hydrodynamics in high-energy collisions

NASA Astrophysics Data System (ADS)

Bialas, A.; Peschanski, R.

2011-05-01

The possibility that particle production in high-energy collisions is a result of two asymmetric hydrodynamic flows is investigated using the Khalatnikov form of the (1+1)-dimensional approximation of hydrodynamic equations. The general solution is discussed and applied to the physically appealing “generalized in-out cascade” where the space-time and energy-momentum rapidities are equal at initial temperature but boost invariance is not imposed. It is demonstrated that the two-bump structure of the entropy density, characteristic of the asymmetric input, changes easily into a single broad maximum compatible with data on particle production in symmetric processes. A possible microscopic QCD interpretation of asymmetric hydrodynamics is proposed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Naghavi, S. Shahab; Emery, Antoine A.; Hansen, Heine A.

Previous studies have shown that a large solid-state entropy of reduction increases the thermodynamic efficiency of metal oxides, such as ceria, for two-step thermochemical water splitting cycles. In this context, the configurational entropy arising from oxygen off-stoichiometry in the oxide, has been the focus of most previous work. Here we report a different source of entropy, the onsite electronic configurational entropy, arising from coupling between orbital and spin angular momenta in lanthanide f orbitals. We find that onsite electronic configurational entropy is sizable in all lanthanides, and reaches a maximum value of ≈4.7 k B per oxygen vacancy for Cemore » 4+/Ce 3+ reduction. This unique and large positive entropy source in ceria explains its excellent performance for high-temperature catalytic redox reactions such as water splitting. Our calculations also show that terbium dioxide has a high electronic entropy and thus could also be a potential candidate for solar thermochemical reactions.« less

Stochastic model of the NASA/MSFC ground facility for large space structures with uncertain parameters: The maximum entropy approach, part 2

NASA Technical Reports Server (NTRS)

Hsia, Wei Shen

1989-01-01

A validated technology data base is being developed in the areas of control/structures interaction, deployment dynamics, and system performance for Large Space Structures (LSS). A Ground Facility (GF), in which the dynamics and control systems being considered for LSS applications can be verified, was designed and built. One of the important aspects of the GF is to verify the analytical model for the control system design. The procedure is to describe the control system mathematically as well as possible, then to perform tests on the control system, and finally to factor those results into the mathematical model. The reduction of the order of a higher order control plant was addressed. The computer program was improved for the maximum entropy principle adopted in Hyland's MEOP method. The program was tested against the testing problem. It resulted in a very close match. Two methods of model reduction were examined: Wilson's model reduction method and Hyland's optimal projection (OP) method. Design of a computer program for Hyland's OP method was attempted. Due to the difficulty encountered at the stage where a special matrix factorization technique is needed in order to obtain the required projection matrix, the program was successful up to the finding of the Linear Quadratic Gaussian solution but not beyond. Numerical results along with computer programs which employed ORACLS are presented.

Preparation, electronic structure, and chemical bonding of lead-free (1 - x)(K0.5Bi0.5)TiO3- xBaTiO3 solid solution

NASA Astrophysics Data System (ADS)

Sasikumar, S.; Saravanan, R.; Saravanakumar, S.; Robert, M. Charles

2018-01-01

Polycrystalline lead-free (1 - x)(K0.5Bi0.5)TiO3- xBaTiO3, ((1 - x)KBT- xBT) ( x = 0.00, 0.08, 0.12) ceramics were synthesized via solid-state reaction method. The powder X-ray diffraction (PXRD) and structural refinement results confirm that a single-phase tetragonal structure with space group P4mm. Charge density distribution inside the unit cell of (1 - x)KBT- xBT was investigated by the maximum entropy method. Charge density analysis reveals the reduction in ionic nature along K/Bi-O bond and enhancement of covalent nature along Ti-O bond with the addition of BaTiO3. The charge density distribution studies done using maximum entropy method for (1 - x)KBT- xBT have not been done so far. The surface morphology study was done using scanning electron microscopy (SEM). Energy dispersive X-rays spectra (EDS) were used to investigate the elemental compositions present in the system. The dielectric constant and loss tangent were studied as a function of frequency. The dielectric constant and loss were decreased with increase of frequency. Room temperature dielectric constant ( ɛ) and loss (tan δ) were measured for x = 0.00 about 511 and 0.51, respectively, at a frequency of 10 kHz.

Guava (Psidium guajava) leaf powder: novel adsorbent for removal of methylene blue from aqueous solutions.

PubMed

Ponnusami, V; Vikram, S; Srivastava, S N

2008-03-21

Batch sorption experiments were carried out using a novel adsorbent, guava leaf powder (GLP), for the removal of methylene blue (MB) from aqueous solutions. Potential of GLP for adsorption of MB from aqueous solution was found to be excellent. Effects of process parameters pH, adsorbent dosage, concentration, particle size and temperature were studied. Temperature-concentration interaction effect on dye uptake was studied and a quadratic model was proposed to predict dye uptake in terms of concentration, time and temperature. The model conforms closely to the experimental data. The model was used to find optimum temperature and concentration that result in maximum dye uptake. Langmuir model represent the experimental data well. Maximum dye uptake was found to be 295mg/g, indicating that GLP can be used as an excellent low-cost adsorbent. Pseudo-first-order, pseudo-second order and intraparticle diffusion models were tested. From experimental data it was found that adsorption of MB onto GLP follow pseudo second order kinetics. External diffusion and intraparticle diffusion play roles in adsorption process. Free energy of adsorption (DeltaG degrees ), enthalpy change (DeltaH degrees ) and entropy change (DeltaS degrees ) were calculated to predict the nature of adsorption. Adsorption in packed bed was also evaluated.

Slicing the vacuum: New accelerating mirror solutions of the dynamical Casimir effect

NASA Astrophysics Data System (ADS)

Good, Michael R. R.; Linder, Eric V.

2017-12-01

Radiation from accelerating mirrors in a Minkowski spacetime provides insights into the nature of horizons, black holes, and entanglement entropy. We introduce new, simple, symmetric and analytic moving mirror solutions and study their particle, energy, and entropy production. This includes an asymptotically static case with finite emission that is the black hole analog of complete evaporation. The total energy, total entropy, total particles, and spectrum are the same on both sides of the mirror. We also study its asymptotically inertial, drifting analog (which gives a black hole remnant) to explore differences in finite and infinite production.

Numerical viscosity and the entropy condition for conservative difference schemes

NASA Technical Reports Server (NTRS)

Tadmor, E.

1983-01-01

Consider a scalar, nonlinear conservative difference scheme satisfying the entropy condition. It is shown that difference schemes containing more numerical viscosity will necessarily converge to the unique, physically relevant weak solution of the approximated conservation equation. In particular, entropy satisfying convergence follows for E schemes - those containing more numerical viscosity than Godunov's scheme.

Respiration-Averaged CT for Attenuation Correction of PET Images – Impact on PET Texture Features in Non-Small Cell Lung Cancer Patients

PubMed Central

Cheng, Nai-Ming; Fang, Yu-Hua Dean; Tsan, Din-Li

2016-01-01

Purpose We compared attenuation correction of PET images with helical CT (PET/HCT) and respiration-averaged CT (PET/ACT) in patients with non-small-cell lung cancer (NSCLC) with the goal of investigating the impact of respiration-averaged CT on 18F FDG PET texture parameters. Materials and Methods A total of 56 patients were enrolled. Tumors were segmented on pretreatment PET images using the adaptive threshold. Twelve different texture parameters were computed: standard uptake value (SUV) entropy, uniformity, entropy, dissimilarity, homogeneity, coarseness, busyness, contrast, complexity, grey-level nonuniformity, zone-size nonuniformity, and high grey-level large zone emphasis. Comparisons of PET/HCT and PET/ACT were performed using Wilcoxon signed-rank tests, intraclass correlation coefficients, and Bland-Altman analysis. Receiver operating characteristic (ROC) curves as well as univariate and multivariate Cox regression analyses were used to identify the parameters significantly associated with disease-specific survival (DSS). A fixed threshold at 45% of the maximum SUV (T45) was used for validation. Results SUV maximum and total lesion glycolysis (TLG) were significantly higher in PET/ACT. However, texture parameters obtained with PET/ACT and PET/HCT showed a high degree of agreement. The lowest levels of variation between the two modalities were observed for SUV entropy (9.7%) and entropy (9.8%). SUV entropy, entropy, and coarseness from both PET/ACT and PET/HCT were significantly associated with DSS. Validation analyses using T45 confirmed the usefulness of SUV entropy and entropy in both PET/HCT and PET/ACT for the prediction of DSS, but only coarseness from PET/ACT achieved the statistical significance threshold. Conclusions Our results indicate that 1) texture parameters from PET/ACT are clinically useful in the prediction of survival in NSCLC patients and 2) SUV entropy and entropy are robust to attenuation correction methods. PMID:26930211

Maximum Entropy Production As a Framework for Understanding How Living Systems Evolve, Organize and Function

NASA Astrophysics Data System (ADS)

Vallino, J. J.; Algar, C. K.; Huber, J. A.; Fernandez-Gonzalez, N.

2014-12-01

The maximum entropy production (MEP) principle holds that non equilibrium systems with sufficient degrees of freedom will likely be found in a state that maximizes entropy production or, analogously, maximizes potential energy destruction rate. The theory does not distinguish between abiotic or biotic systems; however, we will show that systems that can coordinate function over time and/or space can potentially dissipate more free energy than purely Markovian processes (such as fire or a rock rolling down a hill) that only maximize instantaneous entropy production. Biological systems have the ability to store useful information acquired via evolution and curated by natural selection in genomic sequences that allow them to execute temporal strategies and coordinate function over space. For example, circadian rhythms allow phototrophs to "predict" that sun light will return and can orchestrate metabolic machinery appropriately before sunrise, which not only gives them a competitive advantage, but also increases the total entropy production rate compared to systems that lack such anticipatory control. Similarly, coordination over space, such a quorum sensing in microbial biofilms, can increase acquisition of spatially distributed resources and free energy and thereby enhance entropy production. In this talk we will develop a modeling framework to describe microbial biogeochemistry based on the MEP conjecture constrained by information and resource availability. Results from model simulations will be compared to laboratory experiments to demonstrate the usefulness of the MEP approach.

Giant onsite electronic entropy enhances the performance of ceria for water splitting

DOE PAGES

Naghavi, S. Shahab; Emery, Antoine A.; Hansen, Heine A.; ...

2017-08-18

Previous studies have shown that a large solid-state entropy of reduction increases the thermodynamic efficiency of metal oxides, such as ceria, for two-step thermochemical water splitting cycles. In this context, the configurational entropy arising from oxygen off-stoichiometry in the oxide, has been the focus of most previous work. Here we report a different source of entropy, the onsite electronic configurational entropy, arising from coupling between orbital and spin angular momenta in lanthanide f orbitals. We find that onsite electronic configurational entropy is sizable in all lanthanides, and reaches a maximum value of ≈4.7 k B per oxygen vacancy for Cemore » 4+/Ce 3+ reduction. This unique and large positive entropy source in ceria explains its excellent performance for high-temperature catalytic redox reactions such as water splitting. Our calculations also show that terbium dioxide has a high electronic entropy and thus could also be a potential candidate for solar thermochemical reactions.« less

Giant onsite electronic entropy enhances the performance of ceria for water splitting.

PubMed

Naghavi, S Shahab; Emery, Antoine A; Hansen, Heine A; Zhou, Fei; Ozolins, Vidvuds; Wolverton, Chris

2017-08-18

Previous studies have shown that a large solid-state entropy of reduction increases the thermodynamic efficiency of metal oxides, such as ceria, for two-step thermochemical water splitting cycles. In this context, the configurational entropy arising from oxygen off-stoichiometry in the oxide, has been the focus of most previous work. Here we report a different source of entropy, the onsite electronic configurational entropy, arising from coupling between orbital and spin angular momenta in lanthanide f orbitals. We find that onsite electronic configurational entropy is sizable in all lanthanides, and reaches a maximum value of ≈4.7 k B per oxygen vacancy for Ce 4+ /Ce 3+ reduction. This unique and large positive entropy source in ceria explains its excellent performance for high-temperature catalytic redox reactions such as water splitting. Our calculations also show that terbium dioxide has a high electronic entropy and thus could also be a potential candidate for solar thermochemical reactions.Solid-state entropy of reduction increases the thermodynamic efficiency of ceria for two-step thermochemical water splitting. Here, the authors report a large and different source of entropy, the onsite electronic configurational entropy arising from coupling between orbital and spin angular momenta in f orbitals.

The limit behavior of the evolution of the Tsallis entropy in self-gravitating systems

NASA Astrophysics Data System (ADS)

Zheng, Yahui; Du, Jiulin; Liang, Faku

2017-06-01

In this letter, we study the limit behavior of the evolution of the Tsallis entropy in self-gravitating systems. The study is carried out under two different situations, drawing the same conclusion. No matter in the energy transfer process or in the mass transfer process inside the system, when the nonextensive parameter q is more than unity, the total entropy is bounded; on the contrary, when this parameter is less than unity, the total entropy is unbounded. There are proofs in both theory and observation that the q is always more than unity. So the Tsallis entropy in self-gravitating systems generally exhibits a bounded property. This indicates the existence of a global maximum of the Tsallis entropy. It is possible for self-gravitating systems to evolve to thermodynamically stable states.

Discontinuous Galerkin finite element method for the nonlinear hyperbolic problems with entropy-based artificial viscosity stabilization

NASA Astrophysics Data System (ADS)

Zingan, Valentin Nikolaevich

This work develops a discontinuous Galerkin finite element discretization of non- linear hyperbolic conservation equations with efficient and robust high order stabilization built on an entropy-based artificial viscosity approximation. The solutions of equations are represented by elementwise polynomials of an arbitrary degree p > 0 which are continuous within each element but discontinuous on the boundaries. The discretization of equations in time is done by means of high order explicit Runge-Kutta methods identified with respective Butcher tableaux. To stabilize a numerical solution in the vicinity of shock waves and simultaneously preserve the smooth parts from smearing, we add some reasonable amount of artificial viscosity in accordance with the physical principle of entropy production in the interior of shock waves. The viscosity coefficient is proportional to the local size of the residual of an entropy equation and is bounded from above by the first-order artificial viscosity defined by a local wave speed. Since the residual of an entropy equation is supposed to be vanishingly small in smooth regions (of the order of the Local Truncation Error) and arbitrarily large in shocks, the entropy viscosity is almost zero everywhere except the shocks, where it reaches the first-order upper bound. One- and two-dimensional benchmark test cases are presented for nonlinear hyperbolic scalar conservation laws and the system of compressible Euler equations. These tests demonstrate the satisfactory stability properties of the method and optimal convergence rates as well. All numerical solutions to the test problems agree well with the reference solutions found in the literature. We conclude that the new method developed in the present work is a valuable alternative to currently existing techniques of viscous stabilization.

Entropy-based artificial viscosity stabilization for non-equilibrium Grey Radiation-Hydrodynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Delchini, Marc O., E-mail: delchinm@email.tamu.edu; Ragusa, Jean C., E-mail: jean.ragusa@tamu.edu; Morel, Jim, E-mail: jim.morel@tamu.edu

2015-09-01

The entropy viscosity method is extended to the non-equilibrium Grey Radiation-Hydrodynamic equations. The method employs a viscous regularization to stabilize the numerical solution. The artificial viscosity coefficient is modulated by the entropy production and peaks at shock locations. The added dissipative terms are consistent with the entropy minimum principle. A new functional form of the entropy residual, suitable for the Radiation-Hydrodynamic equations, is derived. We demonstrate that the viscous regularization preserves the equilibrium diffusion limit. The equations are discretized with a standard Continuous Galerkin Finite Element Method and a fully implicit temporal integrator within the MOOSE multiphysics framework. The methodmore » of manufactured solutions is employed to demonstrate second-order accuracy in both the equilibrium diffusion and streaming limits. Several typical 1-D radiation-hydrodynamic test cases with shocks (from Mach 1.05 to Mach 50) are presented to establish the ability of the technique to capture and resolve shocks.« less

Novel sonar signal processing tool using Shannon entropy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Quazi, A.H.

1996-06-01

Traditionally, conventional signal processing extracts information from sonar signals using amplitude, signal energy or frequency domain quantities obtained using spectral analysis techniques. The object is to investigate an alternate approach which is entirely different than that of traditional signal processing. This alternate approach is to utilize the Shannon entropy as a tool for the processing of sonar signals with emphasis on detection, classification, and localization leading to superior sonar system performance. Traditionally, sonar signals are processed coherently, semi-coherently, and incoherently, depending upon the a priori knowledge of the signals and noise. Here, the detection, classification, and localization technique will bemore » based on the concept of the entropy of the random process. Under a constant energy constraint, the entropy of a received process bearing finite number of sample points is maximum when hypothesis H{sub 0} (that the received process consists of noise alone) is true and decreases when correlated signal is present (H{sub 1}). Therefore, the strategy used for detection is: (I) Calculate the entropy of the received data; then, (II) compare the entropy with the maximum value; and, finally, (III) make decision: H{sub 1} is assumed if the difference is large compared to pre-assigned threshold and H{sub 0} is otherwise assumed. The test statistics will be different between entropies under H{sub 0} and H{sub 1}. Here, we shall show the simulated results for detecting stationary and non-stationary signals in noise, and results on detection of defects in a Plexiglas bar using an ultrasonic experiment conducted by Hughes. {copyright} {ital 1996 American Institute of Physics.}« less

Spatial Decomposition of Translational Water–Water Correlation Entropy in Binding Pockets

PubMed Central

2015-01-01

A number of computational tools available today compute the thermodynamic properties of water at surfaces and in binding pockets by using inhomogeneous solvation theory (IST) to analyze explicit-solvent simulations. Such methods enable qualitative spatial mappings of both energy and entropy around a solute of interest and can also be applied quantitatively. However, the entropy estimates of existing methods have, to date, been almost entirely limited to the first-order terms in the IST’s entropy expansion. These first-order terms account for localization and orientation of water molecules in the field of the solute but not for the modification of water–water correlations by the solute. Here, we present an extension of the Grid Inhomogeneous Solvation Theory (GIST) approach which accounts for water–water translational correlations. The method involves rewriting the two-point density of water in terms of a conditional density and utilizes the efficient nearest-neighbor entropy estimation approach. Spatial maps of this second order term, for water in and around the synthetic host cucurbit[7]uril and in the binding pocket of the enzyme Factor Xa, reveal mainly negative contributions, indicating solute-induced water–water correlations relative to bulk water; particularly strong signals are obtained for sites at the entrances of cavities or pockets. This second-order term thus enters with the same, negative, sign as the first order translational and orientational terms. Numerical and convergence properties of the methodology are examined. PMID:26636620

Quantitative LC-MS of polymers: determining accurate molecular weight distributions by combined size exclusion chromatography and electrospray mass spectrometry with maximum entropy data processing.

PubMed

Gruendling, Till; Guilhaus, Michael; Barner-Kowollik, Christopher

2008-09-15

We report on the successful application of size exclusion chromatography (SEC) combined with electrospray ionization mass spectrometry (ESI-MS) and refractive index (RI) detection for the determination of accurate molecular weight distributions of synthetic polymers, corrected for chromatographic band broadening. The presented method makes use of the ability of ESI-MS to accurately depict the peak profiles and retention volumes of individual oligomers eluting from the SEC column, whereas quantitative information on the absolute concentration of oligomers is obtained from the RI-detector only. A sophisticated computational algorithm based on the maximum entropy principle is used to process the data gained by both detectors, yielding an accurate molecular weight distribution, corrected for chromatographic band broadening. Poly(methyl methacrylate) standards with molecular weights up to 10 kDa serve as model compounds. Molecular weight distributions (MWDs) obtained by the maximum entropy procedure are compared to MWDs, which were calculated by a conventional calibration of the SEC-retention time axis with peak retention data obtained from the mass spectrometer. Comparison showed that for the employed chromatographic system, distributions below 7 kDa were only weakly influenced by chromatographic band broadening. However, the maximum entropy algorithm could successfully correct the MWD of a 10 kDa standard for band broadening effects. Molecular weight averages were between 5 and 14% lower than the manufacturer stated data obtained by classical means of calibration. The presented method demonstrates a consistent approach for analyzing data obtained by coupling mass spectrometric detectors and concentration sensitive detectors to polymer liquid chromatography.

Predicting protein β-sheet contacts using a maximum entropy-based correlated mutation measure.

PubMed

Burkoff, Nikolas S; Várnai, Csilla; Wild, David L

2013-03-01

The problem of ab initio protein folding is one of the most difficult in modern computational biology. The prediction of residue contacts within a protein provides a more tractable immediate step. Recently introduced maximum entropy-based correlated mutation measures (CMMs), such as direct information, have been successful in predicting residue contacts. However, most correlated mutation studies focus on proteins that have large good-quality multiple sequence alignments (MSA) because the power of correlated mutation analysis falls as the size of the MSA decreases. However, even with small autogenerated MSAs, maximum entropy-based CMMs contain information. To make use of this information, in this article, we focus not on general residue contacts but contacts between residues in β-sheets. The strong constraints and prior knowledge associated with β-contacts are ideally suited for prediction using a method that incorporates an often noisy CMM. Using contrastive divergence, a statistical machine learning technique, we have calculated a maximum entropy-based CMM. We have integrated this measure with a new probabilistic model for β-contact prediction, which is used to predict both residue- and strand-level contacts. Using our model on a standard non-redundant dataset, we significantly outperform a 2D recurrent neural network architecture, achieving a 5% improvement in true positives at the 5% false-positive rate at the residue level. At the strand level, our approach is competitive with the state-of-the-art single methods achieving precision of 61.0% and recall of 55.4%, while not requiring residue solvent accessibility as an input. http://www2.warwick.ac.uk/fac/sci/systemsbiology/research/software/

An entropy maximization problem related to optical communication

NASA Technical Reports Server (NTRS)

Mceliece, R. J.; Rodemich, E. R.; Swanson, L.

1986-01-01

In relation to a problem in optical communication, the paper considers the general problem of maximizing the entropy of a stationary radom process that is subject to an average transition cost constraint. By using a recent result of Justesen and Hoholdt, an exact solution to the problem is presented and a class of finite state encoders that give a good approximation to the exact solution is suggested.

Entropy-Based Approach To Nonlinear Stability

NASA Technical Reports Server (NTRS)

Merriam, Marshal L.

1991-01-01

NASA technical memorandum suggests schemes for numerical solution of differential equations of flow made more accurate and robust by invoking second law of thermodynamics. Proposes instead of using artificial viscosity to suppress such unphysical solutions as spurious numerical oscillations and nonlinear instabilities, one should formulate equations so that rate of production of entropy within each cell of computational grid be nonnegative, as required by second law.

Nonequilibrium Thermodynamics in Biological Systems

NASA Astrophysics Data System (ADS)

Aoki, I.

2005-12-01

1. Respiration Oxygen-uptake by respiration in organisms decomposes macromolecules such as carbohydrate, protein and lipid and liberates chemical energy of high quality, which is then used to chemical reactions and motions of matter in organisms to support lively order in structure and function in organisms. Finally, this chemical energy becomes heat energy of low quality and is discarded to the outside (dissipation function). Accompanying this heat energy, entropy production which inevitably occurs by irreversibility also is discarded to the outside. Dissipation function and entropy production are estimated from data of respiration. 2. Human body From the observed data of respiration (oxygen absorption), the entropy production in human body can be estimated. Entropy production from 0 to 75 years old human has been obtained, and extrapolated to fertilized egg (beginning of human life) and to 120 years old (maximum period of human life). Entropy production show characteristic behavior in human life span : early rapid increase in short growing phase and later slow decrease in long aging phase. It is proposed that this tendency is ubiquitous and constitutes a Principle of Organization in complex biotic systems. 3. Ecological communities From the data of respiration of eighteen aquatic communities, specific (i.e. per biomass) entropy productions are obtained. They show two phase character with respect to trophic diversity : early increase and later decrease with the increase of trophic diversity. The trophic diversity in these aquatic ecosystems is shown to be positively correlated with the degree of eutrophication, and the degree of eutrophication is an "arrow of time" in the hierarchy of aquatic ecosystems. Hence specific entropy production has the two phase: early increase and later decrease with time. 4. Entropy principle for living systems The Second Law of Thermodynamics has been expressed as follows. 1) In isolated systems, entropy increases with time and approaches to a maximum value. This is well-known classical Clausius principle. 2) In open systems near equilibrium entropy production always decreases with time approaching a minimum stationary level. This is the minimum entropy production principle by Prigogine. These two principle are established ones. However, living systems are not isolated and not near to equilibrium. Hence, these two principles can not be applied to living systems. What is entropy principle for living systems? Answer: Entropy production in living systems consists of multi-stages with time: early increasing, later decreasing and/or intermediate stages. This tendency is supported by various living systems.

Non-linear dielectric signatures of entropy changes in liquids subject to time dependent electric fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Richert, Ranko

2016-03-21

A model of non-linear dielectric polarization is studied in which the field induced entropy change is the source of polarization dependent retardation time constants. Numerical solutions for the susceptibilities of the system are obtained for parameters that represent the dynamic and thermodynamic behavior of glycerol. The calculations for high amplitude sinusoidal fields show a significant enhancement of the steady state loss for frequencies below that of the low field loss peak. Also at relatively low frequencies, the third harmonic susceptibility spectrum shows a “hump,” i.e., a maximum, with an amplitude that increases with decreasing temperature. Both of these non-linear effectsmore » are consistent with experimental evidence. While such features have been used to conclude on a temperature dependent number of dynamically correlated particles, N{sub corr}, the present result demonstrates that the third harmonic susceptibility display a peak with an amplitude that tracks the variation of the activation energy in a model that does not involve dynamical correlations or spatial scales.« less

Human vision is determined based on information theory.

PubMed

Delgado-Bonal, Alfonso; Martín-Torres, Javier

2016-11-03

It is commonly accepted that the evolution of the human eye has been driven by the maximum intensity of the radiation emitted by the Sun. However, the interpretation of the surrounding environment is constrained not only by the amount of energy received but also by the information content of the radiation. Information is related to entropy rather than energy. The human brain follows Bayesian statistical inference for the interpretation of visual space. The maximization of information occurs in the process of maximizing the entropy. Here, we show that the photopic and scotopic vision absorption peaks in humans are determined not only by the intensity but also by the entropy of radiation. We suggest that through the course of evolution, the human eye has not adapted only to the maximum intensity or to the maximum information but to the optimal wavelength for obtaining information. On Earth, the optimal wavelengths for photopic and scotopic vision are 555 nm and 508 nm, respectively, as inferred experimentally. These optimal wavelengths are determined by the temperature of the star (in this case, the Sun) and by the atmospheric composition.

Human vision is determined based on information theory

NASA Astrophysics Data System (ADS)

Delgado-Bonal, Alfonso; Martín-Torres, Javier

2016-11-01

It is commonly accepted that the evolution of the human eye has been driven by the maximum intensity of the radiation emitted by the Sun. However, the interpretation of the surrounding environment is constrained not only by the amount of energy received but also by the information content of the radiation. Information is related to entropy rather than energy. The human brain follows Bayesian statistical inference for the interpretation of visual space. The maximization of information occurs in the process of maximizing the entropy. Here, we show that the photopic and scotopic vision absorption peaks in humans are determined not only by the intensity but also by the entropy of radiation. We suggest that through the course of evolution, the human eye has not adapted only to the maximum intensity or to the maximum information but to the optimal wavelength for obtaining information. On Earth, the optimal wavelengths for photopic and scotopic vision are 555 nm and 508 nm, respectively, as inferred experimentally. These optimal wavelengths are determined by the temperature of the star (in this case, the Sun) and by the atmospheric composition.

Quantifying Extrinsic Noise in Gene Expression Using the Maximum Entropy Framework

PubMed Central

Dixit, Purushottam D.

2013-01-01

We present a maximum entropy framework to separate intrinsic and extrinsic contributions to noisy gene expression solely from the profile of expression. We express the experimentally accessible probability distribution of the copy number of the gene product (mRNA or protein) by accounting for possible variations in extrinsic factors. The distribution of extrinsic factors is estimated using the maximum entropy principle. Our results show that extrinsic factors qualitatively and quantitatively affect the probability distribution of the gene product. We work out, in detail, the transcription of mRNA from a constitutively expressed promoter in Escherichia coli. We suggest that the variation in extrinsic factors may account for the observed wider-than-Poisson distribution of mRNA copy numbers. We successfully test our framework on a numerical simulation of a simple gene expression scheme that accounts for the variation in extrinsic factors. We also make falsifiable predictions, some of which are tested on previous experiments in E. coli whereas others need verification. Application of the presented framework to more complex situations is also discussed. PMID:23790383

Quantifying extrinsic noise in gene expression using the maximum entropy framework.

PubMed

Dixit, Purushottam D

2013-06-18

We present a maximum entropy framework to separate intrinsic and extrinsic contributions to noisy gene expression solely from the profile of expression. We express the experimentally accessible probability distribution of the copy number of the gene product (mRNA or protein) by accounting for possible variations in extrinsic factors. The distribution of extrinsic factors is estimated using the maximum entropy principle. Our results show that extrinsic factors qualitatively and quantitatively affect the probability distribution of the gene product. We work out, in detail, the transcription of mRNA from a constitutively expressed promoter in Escherichia coli. We suggest that the variation in extrinsic factors may account for the observed wider-than-Poisson distribution of mRNA copy numbers. We successfully test our framework on a numerical simulation of a simple gene expression scheme that accounts for the variation in extrinsic factors. We also make falsifiable predictions, some of which are tested on previous experiments in E. coli whereas others need verification. Application of the presented framework to more complex situations is also discussed. Copyright © 2013 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Human vision is determined based on information theory

PubMed Central

Delgado-Bonal, Alfonso; Martín-Torres, Javier

2016-01-01

It is commonly accepted that the evolution of the human eye has been driven by the maximum intensity of the radiation emitted by the Sun. However, the interpretation of the surrounding environment is constrained not only by the amount of energy received but also by the information content of the radiation. Information is related to entropy rather than energy. The human brain follows Bayesian statistical inference for the interpretation of visual space. The maximization of information occurs in the process of maximizing the entropy. Here, we show that the photopic and scotopic vision absorption peaks in humans are determined not only by the intensity but also by the entropy of radiation. We suggest that through the course of evolution, the human eye has not adapted only to the maximum intensity or to the maximum information but to the optimal wavelength for obtaining information. On Earth, the optimal wavelengths for photopic and scotopic vision are 555 nm and 508 nm, respectively, as inferred experimentally. These optimal wavelengths are determined by the temperature of the star (in this case, the Sun) and by the atmospheric composition. PMID:27808236

Classification of pulmonary pathology from breath sounds using the wavelet packet transform and an extreme learning machine.

PubMed

Palaniappan, Rajkumar; Sundaraj, Kenneth; Sundaraj, Sebastian; Huliraj, N; Revadi, S S

2017-06-08

Auscultation is a medical procedure used for the initial diagnosis and assessment of lung and heart diseases. From this perspective, we propose assessing the performance of the extreme learning machine (ELM) classifiers for the diagnosis of pulmonary pathology using breath sounds. Energy and entropy features were extracted from the breath sound using the wavelet packet transform. The statistical significance of the extracted features was evaluated by one-way analysis of variance (ANOVA). The extracted features were inputted into the ELM classifier. The maximum classification accuracies obtained for the conventional validation (CV) of the energy and entropy features were 97.36% and 98.37%, respectively, whereas the accuracies obtained for the cross validation (CRV) of the energy and entropy features were 96.80% and 97.91%, respectively. In addition, maximum classification accuracies of 98.25% and 99.25% were obtained for the CV and CRV of the ensemble features, respectively. The results indicate that the classification accuracy obtained with the ensemble features was higher than those obtained with the energy and entropy features.

A viscometric approach of pH effect on hydrodynamic properties of human serum albumin in the normal form.

PubMed

Monkos, Karol

2013-03-01

The paper presents the results of viscosity determinations on aqueous solutions of human serum albumin (HSA) at isoelectric point over a wide range of concentrations and at temperatures ranging from 5°C to 45°C. On the basis of a modified Arrhenius equation and Mooney's formula some hydrodynamic parameters were obtained. They are compared with those previously obtained for HSA in solutions at neutral pH. The activation energy and entropy of viscous flow and the intrinsic viscosity reach a maximum value, and the effective specific volume, the self-crowding factor and the Huggins coefficient a minimum value in solutions at isoelectric point. Using the dimensionless parameter [η]c, the existence of three ranges of concentrations: diluted, semi-diluted and concentrated, was shown. By applying Lefebvre's relation for the relative viscosity in the semi-dilute regime, the Mark-Houvink-Kuhn-Sakurada (MHKS) exponent was established. The analysis of the results obtained from the three ranges of concentrations showed that both conformation and stiffness of HSA molecules in solutions at isoelectric point and at neutral pH are the same.

Derivation of Hunt equation for suspension distribution using Shannon entropy theory

NASA Astrophysics Data System (ADS)

Kundu, Snehasis

2017-12-01

In this study, the Hunt equation for computing suspension concentration in sediment-laden flows is derived using Shannon entropy theory. Considering the inverse of the void ratio as a random variable and using principle of maximum entropy, probability density function and cumulative distribution function of suspension concentration is derived. A new and more general cumulative distribution function for the flow domain is proposed which includes several specific other models of CDF reported in literature. This general form of cumulative distribution function also helps to derive the Rouse equation. The entropy based approach helps to estimate model parameters using suspension data of sediment concentration which shows the advantage of using entropy theory. Finally model parameters in the entropy based model are also expressed as functions of the Rouse number to establish a link between the parameters of the deterministic and probabilistic approaches.

Experimental evidence for excess entropy discontinuities in glass-forming solutions.

PubMed

Lienhard, Daniel M; Zobrist, Bernhard; Zuend, Andreas; Krieger, Ulrich K; Peter, Thomas

2012-02-21

Glass transition temperatures T(g) are investigated in aqueous binary and multi-component solutions consisting of citric acid, calcium nitrate (Ca(NO(3))(2)), malonic acid, raffinose, and ammonium bisulfate (NH(4)HSO(4)) using a differential scanning calorimeter. Based on measured glass transition temperatures of binary aqueous mixtures and fitted binary coefficients, the T(g) of multi-component systems can be predicted using mixing rules. However, the experimentally observed T(g) in multi-component solutions show considerable deviations from two theoretical approaches considered. The deviations from these predictions are explained in terms of the molar excess mixing entropy difference between the supercooled liquid and glassy state at T(g). The multi-component mixtures involve contributions to these excess mixing entropies that the mixing rules do not take into account. © 2012 American Institute of Physics

Comparison of 4-chloro-2-nitrophenol adsorption on single-walled and multi-walled carbon nanotubes

PubMed Central

2012-01-01

The adsorption characteristics of 4-chloro-2-nitrophenol (4C2NP) onto single-walled and multi-walled carbon nanotubes (SWCNTs and MWCNTs) from aqueous solution were investigated with respect to the changes in the contact time, pH of solution, carbon nanotubes dosage and initial 4C2NP concentration. Experimental results showed that the adsorption efficiency of 4C2NP by carbon nanotubes (both of SWCNTs and MWCNTs) increased with increasing the initial 4C2NP concentration. The maximum adsorption took place in the pH range of 2–6. The linear correlation coefficients of different isotherm models were obtained. Results revealed that the Langmuir isotherm fitted the experimental data better than the others and based on the Langmuir model equation, maximum adsorption capacity of 4C2NP onto SWCNTs and MWCNTs were 1.44 and 4.42 mg/g, respectively. The observed changes in the standard Gibbs free energy, standard enthalpy and standard entropy showed that the adsorption of 4C2NP onto SWCNTs and MWCNTs is spontaneous and exothermic in the temperature range of 298–328 K. PMID:23369489

Applications of quantum entropy to statistics

NASA Astrophysics Data System (ADS)

Silver, R. N.; Martz, H. F.

This paper develops two generalizations of the maximum entropy (ME) principle. First, Shannon classical entropy is replaced by von Neumann quantum entropy to yield a broader class of information divergences (or penalty functions) for statistics applications. Negative relative quantum entropy enforces convexity, positivity, non-local extensivity and prior correlations such as smoothness. This enables the extension of ME methods from their traditional domain of ill-posed in-verse problems to new applications such as non-parametric density estimation. Second, given a choice of information divergence, a combination of ME and Bayes rule is used to assign both prior and posterior probabilities. Hyperparameters are interpreted as Lagrange multipliers enforcing constraints. Conservation principles are proposed to act statistical regularization and other hyperparameters, such as conservation of information and smoothness. ME provides an alternative to hierarchical Bayes methods.

The two-box model of climate: limitations and applications to planetary habitability and maximum entropy production studies.

PubMed

Lorenz, Ralph D

2010-05-12

The 'two-box model' of planetary climate is discussed. This model has been used to demonstrate consistency of the equator-pole temperature gradient on Earth, Mars and Titan with what would be predicted from a principle of maximum entropy production (MEP). While useful for exposition and for generating first-order estimates of planetary heat transports, it has too low a resolution to investigate climate systems with strong feedbacks. A two-box MEP model agrees well with the observed day : night temperature contrast observed on the extrasolar planet HD 189733b.

The two-box model of climate: limitations and applications to planetary habitability and maximum entropy production studies

PubMed Central

Lorenz, Ralph D.

2010-01-01

The ‘two-box model’ of planetary climate is discussed. This model has been used to demonstrate consistency of the equator–pole temperature gradient on Earth, Mars and Titan with what would be predicted from a principle of maximum entropy production (MEP). While useful for exposition and for generating first-order estimates of planetary heat transports, it has too low a resolution to investigate climate systems with strong feedbacks. A two-box MEP model agrees well with the observed day : night temperature contrast observed on the extrasolar planet HD 189733b. PMID:20368253

Optimal behavior of viscoelastic flow at resonant frequencies.

PubMed

Lambert, A A; Ibáñez, G; Cuevas, S; del Río, J A

2004-11-01

The global entropy generation rate in the zero-mean oscillatory flow of a Maxwell fluid in a pipe is analyzed with the aim of determining its behavior at resonant flow conditions. This quantity is calculated explicitly using the analytic expression for the velocity field and assuming isothermal conditions. The global entropy generation rate shows well-defined peaks at the resonant frequencies where the flow displays maximum velocities. It was found that resonant frequencies can be considered optimal in the sense that they maximize the power transmitted to the pulsating flow at the expense of maximum dissipation.

Twenty-five years of maximum-entropy principle

NASA Astrophysics Data System (ADS)

Kapur, J. N.

1983-04-01

The strengths and weaknesses of the maximum entropy principle (MEP) are examined and some challenging problems that remain outstanding at the end of the first quarter century of the principle are discussed. The original formalism of the MEP is presented and its relationship to statistical mechanics is set forth. The use of MEP for characterizing statistical distributions, in statistical inference, nonlinear spectral analysis, transportation models, population density models, models for brand-switching in marketing and vote-switching in elections is discussed. Its application to finance, insurance, image reconstruction, pattern recognition, operations research and engineering, biology and medicine, and nonparametric density estimation is considered.

Statistical mechanical theory for steady state systems. VI. Variational principles

NASA Astrophysics Data System (ADS)

Attard, Phil

2006-12-01

Several variational principles that have been proposed for nonequilibrium systems are analyzed. These include the principle of minimum rate of entropy production due to Prigogine [Introduction to Thermodynamics of Irreversible Processes (Interscience, New York, 1967)], the principle of maximum rate of entropy production, which is common on the internet and in the natural sciences, two principles of minimum dissipation due to Onsager [Phys. Rev. 37, 405 (1931)] and to Onsager and Machlup [Phys. Rev. 91, 1505 (1953)], and the principle of maximum second entropy due to Attard [J. Chem.. Phys. 122, 154101 (2005); Phys. Chem. Chem. Phys. 8, 3585 (2006)]. The approaches of Onsager and Attard are argued to be the only viable theories. These two are related, although their physical interpretation and mathematical approximations differ. A numerical comparison with computer simulation results indicates that Attard's expression is the only accurate theory. The implications for the Langevin and other stochastic differential equations are discussed.

Energy transports by ocean and atmosphere based on an entropy extremum principle. I - Zonal averaged transports

NASA Technical Reports Server (NTRS)

Sohn, Byung-Ju; Smith, Eric A.

1993-01-01

The maximum entropy production principle suggested by Paltridge (1975) is applied to separating the satellite-determined required total transports into atmospheric and oceanic components. Instead of using the excessively restrictive equal energy dissipation hypothesis as a deterministic tool for separating transports between the atmosphere and ocean fluids, the satellite-inferred required 2D energy transports are imposed on Paltridge's energy balance model, which is then solved as a variational problem using the equal energy dissipation hypothesis only to provide an initial guess field. It is suggested that Southern Ocean transports are weaker than previously reported. It is argued that a maximum entropy production principle can serve as a governing rule on macroscale global climate, and, in conjunction with conventional satellite measurements of the net radiation balance, provides a means to decompose atmosphere and ocean transports from the total transport field.

Direct measurement of the electrocaloric effect in poly(vinylidene fluoride-trifluoroethylene-chlorotrifluoroethylene) terpolymer films

NASA Astrophysics Data System (ADS)

Basso, Vittorio; Russo, Florence; Gerard, Jean-François; Pruvost, Sébastien

2013-11-01

We investigated the entropy change in poly(vinylidene fluoride-trifluoroethylene-chlorotrifluoroethylene) (P(VDF-TrFE-CTFE)) films in the temperature range between -5 ∘C and 60 ∘C by direct heat flux calorimetry using Peltier cell heat flux sensors. At the electric field E = 50 MVm-1 the isothermal entropy change attains a maximum of |Δs|=4.2 Jkg-1K-1 at 31∘C with an adiabatic temperature change ΔTad=1.1 K. At temperatures below the maximum, in the range from 25 ∘C to -5 ∘C, the entropy change |Δs | rapidly decreases and the unipolar P vs E relationship becomes hysteretic. This phenomenon is interpreted as the fact that the fluctuations of the polar segments of the polymer chain, responsible for the electrocaloric effect ECE in the polymer, becomes progressively frozen below the relaxor transition.

Maximum Renyi entropy principle for systems with power-law Hamiltonians.

PubMed

Bashkirov, A G

2004-09-24

The Renyi distribution ensuring the maximum of Renyi entropy is investigated for a particular case of a power-law Hamiltonian. Both Lagrange parameters alpha and beta can be eliminated. It is found that beta does not depend on a Renyi parameter q and can be expressed in terms of an exponent kappa of the power-law Hamiltonian and an average energy U. The Renyi entropy for the resulting Renyi distribution reaches its maximal value at q=1/(1+kappa) that can be considered as the most probable value of q when we have no additional information on the behavior of the stochastic process. The Renyi distribution for such q becomes a power-law distribution with the exponent -(kappa+1). When q=1/(1+kappa)+epsilon (0

Maximum one-shot dissipated work from Rényi divergences

NASA Astrophysics Data System (ADS)

Yunger Halpern, Nicole; Garner, Andrew J. P.; Dahlsten, Oscar C. O.; Vedral, Vlatko

2018-05-01

Thermodynamics describes large-scale, slowly evolving systems. Two modern approaches generalize thermodynamics: fluctuation theorems, which concern finite-time nonequilibrium processes, and one-shot statistical mechanics, which concerns small scales and finite numbers of trials. Combining these approaches, we calculate a one-shot analog of the average dissipated work defined in fluctuation contexts: the cost of performing a protocol in finite time instead of quasistatically. The average dissipated work has been shown to be proportional to a relative entropy between phase-space densities, to a relative entropy between quantum states, and to a relative entropy between probability distributions over possible values of work. We derive one-shot analogs of all three equations, demonstrating that the order-infinity Rényi divergence is proportional to the maximum possible dissipated work in each case. These one-shot analogs of fluctuation-theorem results contribute to the unification of these two toolkits for small-scale, nonequilibrium statistical physics.

Maximum one-shot dissipated work from Rényi divergences.

PubMed

Yunger Halpern, Nicole; Garner, Andrew J P; Dahlsten, Oscar C O; Vedral, Vlatko

2018-05-01

Thermodynamics describes large-scale, slowly evolving systems. Two modern approaches generalize thermodynamics: fluctuation theorems, which concern finite-time nonequilibrium processes, and one-shot statistical mechanics, which concerns small scales and finite numbers of trials. Combining these approaches, we calculate a one-shot analog of the average dissipated work defined in fluctuation contexts: the cost of performing a protocol in finite time instead of quasistatically. The average dissipated work has been shown to be proportional to a relative entropy between phase-space densities, to a relative entropy between quantum states, and to a relative entropy between probability distributions over possible values of work. We derive one-shot analogs of all three equations, demonstrating that the order-infinity Rényi divergence is proportional to the maximum possible dissipated work in each case. These one-shot analogs of fluctuation-theorem results contribute to the unification of these two toolkits for small-scale, nonequilibrium statistical physics.

A graphic approach to include dissipative-like effects in reversible thermal cycles

NASA Astrophysics Data System (ADS)

Gonzalez-Ayala, Julian; Arias-Hernandez, Luis Antonio; Angulo-Brown, Fernando

2017-05-01

Since the decade of 1980's, a connection between a family of maximum-work reversible thermal cycles and maximum-power finite-time endoreversible cycles has been established. The endoreversible cycles produce entropy at their couplings with the external heat baths. Thus, this kind of cycles can be optimized under criteria of merit that involve entropy production terms. Meanwhile the relation between the concept of work and power is quite direct, apparently, the finite-time objective functions involving entropy production have not reversible counterparts. In the present paper we show that it is also possible to establish a connection between irreversible cycle models and reversible ones by means of the concept of "geometric dissipation", which has to do with the equivalent role of a deficit of areas between some reversible cycles and the Carnot cycle and actual dissipative terms in a Curzon-Ahlborn engine.

On the on-shell: the action of AdS4 black holes

NASA Astrophysics Data System (ADS)

Halmagyi, Nick; Lal, Shailesh

2018-03-01

We compute the on-shell action of static, BPS black holes in AdS4 from N=2 gauged supergravity coupled to vector multiplets and show that for a certain class it is equal to minus the entropy of the black hole. Holographic renormalization is used to demonstrate that with Neumann boundary conditions on the scalar fields, the divergent and finite contributions from the asymptotic boundary vanish. The entropy arises from the extrinsic curvature on Σ g × S 1 evaluated at the horizon, where Σ g may have any genus g ≥ 0. This provides a clarification of the equivalence between the partition function of the twisted ABJM theory on Σ g × S 1 and the entropy of the dual black hole solutions. It also demonstrates that the complete entropy resides on the AdS2 × Σ g horizon geometry, implying the absence of hair for these gravity solutions.

Stacking fault energies of face-centered cubic concentrated solid solution alloys

DOE PAGES

Zhao, Shijun; Stocks, G. Malcolm; Zhang, Yanwen

2017-06-22

We report the stacking fault energy (SFE) for a series of face-centered cubic (fcc) equiatomic concentrated solid solution alloys (CSAs) derived as subsystems from the NiCoFeCrMn and NiCoFeCrPd high entropy alloys based on ab initio calculations. At low temperatures, these CSAs display very low even negative SFEs, indicating that hexagonal close-pack ( hcp) is more energy favorable than fcc structure. The temperature dependence of SFE for some CSAs is studied. With increasing temperature, a hcp-to- fcc transition is revealed for those CSAs with negative SFEs, which can be attributed to the role of intrinsic vibrational entropy. The analysis of themore » vibrational modes suggests that the vibrational entropy arises from the high frequency states in the hcp structure that originate from local vibrational mode. Furthermore, our results underscore the importance of vibrational entropy in determining the temperature dependence of SFE for CSAs.« less

Brane - Anti-Brane Democracy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rajaraman, Arvind

2003-06-02

We suggest a duality invariant formula for the entropy and temperature of nonextreme black holes in supersymmetric string theory. The entropy is given in terms of the duality invariant parameter of the deviation from extremality and 56 SU(8) covariant central charges. It interpolates between the entropies of Schwarzschild solution and extremal solutions with various amount of unbroken supersymmetries and therefore serves for classification of black holes in supersymmetric string theories. We introduce the second auxiliary 56 via E(7) symmetric constraint. The symmetric and antisymmetric combinations of these two multiplets are related via moduli to the corresponding two fundamental representations ofmore » E(7): brane and anti-brane ''numbers.'' Using the CPT as well as C symmetry of the entropy formula and duality one can explain the mysterious simplicity of the non-extreme black hole area formula in terms of branes and anti-branes.« less

Stacking fault energies of face-centered cubic concentrated solid solution alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Shijun; Stocks, G. Malcolm; Zhang, Yanwen

We report the stacking fault energy (SFE) for a series of face-centered cubic (fcc) equiatomic concentrated solid solution alloys (CSAs) derived as subsystems from the NiCoFeCrMn and NiCoFeCrPd high entropy alloys based on ab initio calculations. At low temperatures, these CSAs display very low even negative SFEs, indicating that hexagonal close-pack ( hcp) is more energy favorable than fcc structure. The temperature dependence of SFE for some CSAs is studied. With increasing temperature, a hcp-to- fcc transition is revealed for those CSAs with negative SFEs, which can be attributed to the role of intrinsic vibrational entropy. The analysis of themore » vibrational modes suggests that the vibrational entropy arises from the high frequency states in the hcp structure that originate from local vibrational mode. Furthermore, our results underscore the importance of vibrational entropy in determining the temperature dependence of SFE for CSAs.« less

A general Bayesian image reconstruction algorithm with entropy prior: Preliminary application to HST data

NASA Astrophysics Data System (ADS)

Nunez, Jorge; Llacer, Jorge

1993-10-01

This paper describes a general Bayesian iterative algorithm with entropy prior for image reconstruction. It solves the cases of both pure Poisson data and Poisson data with Gaussian readout noise. The algorithm maintains positivity of the solution; it includes case-specific prior information (default map) and flatfield corrections; it removes background and can be accelerated to be faster than the Richardson-Lucy algorithm. In order to determine the hyperparameter that balances the entropy and liklihood terms in the Bayesian approach, we have used a liklihood cross-validation technique. Cross-validation is more robust than other methods because it is less demanding in terms of the knowledge of exact data characteristics and of the point-spread function. We have used the algorithm to reconstruct successfully images obtained in different space-and ground-based imaging situations. It has been possible to recover most of the original intended capabilities of the Hubble Space Telescope (HST) wide field and planetary camera (WFPC) and faint object camera (FOC) from images obtained in their present state. Semireal simulations for the future wide field planetary camera 2 show that even after the repair of the spherical abberration problem, image reconstruction can play a key role in improving the resolution of the cameras, well beyond the design of the Hubble instruments. We also show that ground-based images can be reconstructed successfully with the algorithm. A technique which consists of dividing the CCD observations into two frames, with one-half the exposure time each, emerges as a recommended procedure for the utilization of the described algorithms. We have compared our technique with two commonly used reconstruction algorithms: the Richardson-Lucy and the Cambridge maximum entropy algorithms.

Entropy generation in magnetohydrodynamic radiative flow due to rotating disk in presence of viscous dissipation and Joule heating

NASA Astrophysics Data System (ADS)

Hayat, Tasawar; Qayyum, Sumaira; Khan, Muhammad Ijaz; Alsaedi, Ahmed

2018-01-01

Simultaneous effects of viscous dissipation and Joule heating in flow by rotating disk of variable thickness are examined. Radiative flow saturating porous space is considered. Much attention is given to entropy generation outcome. Developed nonlinear ordinary differential systems are computed for the convergent series solutions. Specifically, the results of velocity, temperature, entropy generation, Bejan number, coefficient of skin friction, and local Nusselt number are discussed. Clearly the entropy generation rate depends on velocity and temperature distributions. Moreover the entropy generation rate is a decreasing function of Hartmann number, Eckert number, and Reynolds number, while they gave opposite behavior for Bejan numbers.

An entropy correction method for unsteady full potential flows with strong shocks

NASA Technical Reports Server (NTRS)

Whitlow, W., Jr.; Hafez, M. M.; Osher, S. J.

1986-01-01

An entropy correction method for the unsteady full potential equation is presented. The unsteady potential equation is modified to account for entropy jumps across shock waves. The conservative form of the modified equation is solved in generalized coordinates using an implicit, approximate factorization method. A flux-biasing differencing method, which generates the proper amounts of artificial viscosity in supersonic regions, is used to discretize the flow equations in space. Comparisons between the present method and solutions of the Euler equations and between the present method and experimental data are presented. The comparisons show that the present method more accurately models solutions of the Euler equations and experiment than does the isentropic potential formulation.

Steepest entropy ascent for two-state systems with slowly varying Hamiltonians

NASA Astrophysics Data System (ADS)

Militello, Benedetto

2018-05-01

The steepest entropy ascent approach is considered and applied to two-state systems. When the Hamiltonian of the system is time-dependent, the principle of maximum entropy production can still be exploited; arguments to support this fact are given. In the limit of slowly varying Hamiltonians, which allows for the adiabatic approximation for the unitary part of the dynamics, the system exhibits significant robustness to the thermalization process. Specific examples such as a spin in a rotating field and a generic two-state system undergoing an avoided crossing are considered.

Maximum Entropy Principle for Transportation

NASA Astrophysics Data System (ADS)

Bilich, F.; DaSilva, R.

2008-11-01

In this work we deal with modeling of the transportation phenomenon for use in the transportation planning process and policy-impact studies. The model developed is based on the dependence concept, i.e., the notion that the probability of a trip starting at origin i is dependent on the probability of a trip ending at destination j given that the factors (such as travel time, cost, etc.) which affect travel between origin i and destination j assume some specific values. The derivation of the solution of the model employs the maximum entropy principle combining a priori multinomial distribution with a trip utility concept. This model is utilized to forecast trip distributions under a variety of policy changes and scenarios. The dependence coefficients are obtained from a regression equation where the functional form is derived based on conditional probability and perception of factors from experimental psychology. The dependence coefficients encode all the information that was previously encoded in the form of constraints. In addition, the dependence coefficients encode information that cannot be expressed in the form of constraints for practical reasons, namely, computational tractability. The equivalence between the standard formulation (i.e., objective function with constraints) and the dependence formulation (i.e., without constraints) is demonstrated. The parameters of the dependence-based trip-distribution model are estimated, and the model is also validated using commercial air travel data in the U.S. In addition, policy impact analyses (such as allowance of supersonic flights inside the U.S. and user surcharge at noise-impacted airports) on air travel are performed.

Thermodynamics of the Sorption of Benzimidazoles on Octadecyl Silica Gel from Water-Methanol Eluents

NASA Astrophysics Data System (ADS)

Shafigulin, R. V.; Bulanova, A. V.

2018-02-01

The standard enthalpy and entropy component of transferring benzimidazoles from water-methanol solutions to surfaces of octadecyl silica gel are determined using reversed-phase high-performance liquid chromatography (RP HPLC). The dependences between the enthalpy and polarizability of the molecules of the studied benzimidazoles, the enthalpy and the entropy factor are studied, and the influence of the quantitative composition of the water-methanol solution on the enthalpy are studied.

Kerr-Newman black holes with string corrections

DOE Office of Scientific and Technical Information (OSTI.GOV)

Charles, Anthony M.; Larsen, Finn

We study N = 2 supergravity with higher-derivative corrections that preserve the N = 2 supersymmetry and show that Kerr-Newman black holes are solutions to these theories. Modifications of the black hole entropy due to the higher derivatives are universal and apply even in the BPS and Schwarzschild limits. Our solutions and their entropy are greatly simplified by supersymmetry of the theory even though the black holes generally do not preserve any of the supersymmetry.

Kerr-Newman black holes with string corrections

DOE PAGES

Charles, Anthony M.; Larsen, Finn

2016-10-26

We study N = 2 supergravity with higher-derivative corrections that preserve the N = 2 supersymmetry and show that Kerr-Newman black holes are solutions to these theories. Modifications of the black hole entropy due to the higher derivatives are universal and apply even in the BPS and Schwarzschild limits. Our solutions and their entropy are greatly simplified by supersymmetry of the theory even though the black holes generally do not preserve any of the supersymmetry.

Accelerated exploration of multi-principal element alloys with solid solution phases

PubMed Central

Senkov, O.N.; Miller, J.D.; Miracle, D.B.; Woodward, C.

2015-01-01

Recent multi-principal element, high entropy alloy (HEA) development strategies vastly expand the number of candidate alloy systems, but also pose a new challenge—how to rapidly screen thousands of candidate alloy systems for targeted properties. Here we develop a new approach to rapidly assess structural metals by combining calculated phase diagrams with simple rules based on the phases present, their transformation temperatures and useful microstructures. We evaluate over 130,000 alloy systems, identifying promising compositions for more time-intensive experimental studies. We find the surprising result that solid solution alloys become less likely as the number of alloy elements increases. This contradicts the major premise of HEAs—that increased configurational entropy increases the stability of disordered solid solution phases. As the number of elements increases, the configurational entropy rises slowly while the probability of at least one pair of elements favouring formation of intermetallic compounds increases more rapidly, explaining this apparent contradiction. PMID:25739749

A New Thermodynamic Parameter to Predict Formation of Solid Solution or Intermetallic Phases in High Entropy Alloys (Postprint)

DTIC Science & Technology

2015-11-02

George , Relative effects of enthalpy and entropy on the phase stability of equiatomic high-entropy alloys, Acta Mater. 61 (2013) 2628e2638. [4] B... Cantor , I.T.H. Chang, P. Knight, A.J.B. Vincent, Microstructural development in equiatomic multicomponent alloys, Mater. Sci. Eng. A 375e377 (2004...an Al0.5CoCrCuFeNi high entropy alloy, In- termetallics 31 (2012) 165e172. [24] Z. Wu, H. Bei, F. Otto, G.M. Pharr, E.P. George , Recovery

An Onsager Singularity Theorem for Turbulent Solutions of Compressible Euler Equations

NASA Astrophysics Data System (ADS)

Drivas, Theodore D.; Eyink, Gregory L.

2017-12-01

We prove that bounded weak solutions of the compressible Euler equations will conserve thermodynamic entropy unless the solution fields have sufficiently low space-time Besov regularity. A quantity measuring kinetic energy cascade will also vanish for such Euler solutions, unless the same singularity conditions are satisfied. It is shown furthermore that strong limits of solutions of compressible Navier-Stokes equations that are bounded and exhibit anomalous dissipation are weak Euler solutions. These inviscid limit solutions have non-negative anomalous entropy production and kinetic energy dissipation, with both vanishing when solutions are above the critical degree of Besov regularity. Stationary, planar shocks in Euclidean space with an ideal-gas equation of state provide simple examples that satisfy the conditions of our theorems and which demonstrate sharpness of our L 3-based conditions. These conditions involve space-time Besov regularity, but we show that they are satisfied by Euler solutions that possess similar space regularity uniformly in time.

Toward the Application of the Maximum Entropy Production Principle to a Broader Range of Far From Equilibrium Dissipative Systems

NASA Astrophysics Data System (ADS)

Lineweaver, C. H.

2005-12-01

The principle of Maximum Entropy Production (MEP) is being usefully applied to a wide range of non-equilibrium processes including flows in planetary atmospheres and the bioenergetics of photosynthesis. Our goal of applying the principle of maximum entropy production to an even wider range of Far From Equilibrium Dissipative Systems (FFEDS) depends on the reproducibility of the evolution of the system from macro-state A to macro-state B. In an attempt to apply the principle of MEP to astronomical and cosmological structures, we investigate the problematic relationship between gravity and entropy. In the context of open and non-equilibrium systems, we use a generalization of the Gibbs free energy to include the sources of free energy extracted by non-living FFEDS such as hurricanes and convection cells. Redox potential gradients and thermal and pressure gradients provide the free energy for a broad range of FFEDS, both living and non-living. However, these gradients have to be within certain ranges. If the gradients are too weak, FFEDS do not appear. If the gradients are too strong FFEDS disappear. Living and non-living FFEDS often have different source gradients (redox potential gradients vs thermal and pressure gradients) and when they share the same gradient, they exploit different ranges of the gradient. In a preliminary attempt to distinguish living from non-living FFEDS, we investigate the parameter space of: type of gradient and steepness of gradient.

Learning Probabilities From Random Observables in High Dimensions: The Maximum Entropy Distribution and Others

NASA Astrophysics Data System (ADS)

Obuchi, Tomoyuki; Cocco, Simona; Monasson, Rémi

2015-11-01

We consider the problem of learning a target probability distribution over a set of N binary variables from the knowledge of the expectation values (with this target distribution) of M observables, drawn uniformly at random. The space of all probability distributions compatible with these M expectation values within some fixed accuracy, called version space, is studied. We introduce a biased measure over the version space, which gives a boost increasing exponentially with the entropy of the distributions and with an arbitrary inverse `temperature' Γ . The choice of Γ allows us to interpolate smoothly between the unbiased measure over all distributions in the version space (Γ =0) and the pointwise measure concentrated at the maximum entropy distribution (Γ → ∞ ). Using the replica method we compute the volume of the version space and other quantities of interest, such as the distance R between the target distribution and the center-of-mass distribution over the version space, as functions of α =(log M)/N and Γ for large N. Phase transitions at critical values of α are found, corresponding to qualitative improvements in the learning of the target distribution and to the decrease of the distance R. However, for fixed α the distance R does not vary with Γ which means that the maximum entropy distribution is not closer to the target distribution than any other distribution compatible with the observable values. Our results are confirmed by Monte Carlo sampling of the version space for small system sizes (N≤ 10).

Optimized Kernel Entropy Components.

PubMed

Izquierdo-Verdiguier, Emma; Laparra, Valero; Jenssen, Robert; Gomez-Chova, Luis; Camps-Valls, Gustau

2017-06-01

This brief addresses two main issues of the standard kernel entropy component analysis (KECA) algorithm: the optimization of the kernel decomposition and the optimization of the Gaussian kernel parameter. KECA roughly reduces to a sorting of the importance of kernel eigenvectors by entropy instead of variance, as in the kernel principal components analysis. In this brief, we propose an extension of the KECA method, named optimized KECA (OKECA), that directly extracts the optimal features retaining most of the data entropy by means of compacting the information in very few features (often in just one or two). The proposed method produces features which have higher expressive power. In particular, it is based on the independent component analysis framework, and introduces an extra rotation to the eigen decomposition, which is optimized via gradient-ascent search. This maximum entropy preservation suggests that OKECA features are more efficient than KECA features for density estimation. In addition, a critical issue in both the methods is the selection of the kernel parameter, since it critically affects the resulting performance. Here, we analyze the most common kernel length-scale selection criteria. The results of both the methods are illustrated in different synthetic and real problems. Results show that OKECA returns projections with more expressive power than KECA, the most successful rule for estimating the kernel parameter is based on maximum likelihood, and OKECA is more robust to the selection of the length-scale parameter in kernel density estimation.

Measure-valued solutions to the complete Euler system revisited

NASA Astrophysics Data System (ADS)

Březina, Jan; Feireisl, Eduard

2018-06-01

We consider the complete Euler system describing the time evolution of a general inviscid compressible fluid. We introduce a new concept of measure-valued solution based on the total energy balance and entropy inequality for the physical entropy without any renormalization. This class of so-called dissipative measure-valued solutions is large enough to include the vanishing dissipation limits of the Navier-Stokes-Fourier system. Our main result states that any sequence of weak solutions to the Navier-Stokes-Fourier system with vanishing viscosity and heat conductivity coefficients generates a dissipative measure-valued solution of the Euler system under some physically grounded constitutive relations. Finally, we discuss the same asymptotic limit for the bi-velocity fluid model introduced by H.Brenner.

Analysis of rapid eye movement periodicity in narcoleptics based on maximum entropy method.

PubMed

Honma, H; Ohtomo, N; Kohsaka, M; Fukuda, N; Kobayashi, R; Sakakibara, S; Nakamura, F; Koyama, T

1999-04-01

We examined REM sleep periodicity in typical narcoleptics and patients who had shown signs of a narcoleptic tetrad without HLA-DRB1*1501/DQB1*0602 or DR2 antigens, using spectral analysis based on the maximum entropy method. The REM sleep period of typical narcoleptics showed two peaks, one at 70-90 min and one at 110-130 min at night, and a single peak at around 70-90 min during the daytime. The nocturnal REM sleep period of typical narcoleptics may be composed of several different periods, one of which corresponds to that of their daytime REM sleep.

A homotopy algorithm for synthesizing robust controllers for flexible structures via the maximum entropy design equations

NASA Technical Reports Server (NTRS)

Collins, Emmanuel G., Jr.; Richter, Stephen

1990-01-01

One well known deficiency of LQG compensators is that they do not guarantee any measure of robustness. This deficiency is especially highlighted when considering control design for complex systems such as flexible structures. There has thus been a need to generalize LQG theory to incorporate robustness constraints. Here we describe the maximum entropy approach to robust control design for flexible structures, a generalization of LQG theory, pioneered by Hyland, which has proved useful in practice. The design equations consist of a set of coupled Riccati and Lyapunov equations. A homotopy algorithm that is used to solve these design equations is presented.

16QAM Blind Equalization via Maximum Entropy Density Approximation Technique and Nonlinear Lagrange Multipliers

PubMed Central

Mauda, R.; Pinchas, M.

2014-01-01

Recently a new blind equalization method was proposed for the 16QAM constellation input inspired by the maximum entropy density approximation technique with improved equalization performance compared to the maximum entropy approach, Godard's algorithm, and others. In addition, an approximated expression for the minimum mean square error (MSE) was obtained. The idea was to find those Lagrange multipliers that bring the approximated MSE to minimum. Since the derivation of the obtained MSE with respect to the Lagrange multipliers leads to a nonlinear equation for the Lagrange multipliers, the part in the MSE expression that caused the nonlinearity in the equation for the Lagrange multipliers was ignored. Thus, the obtained Lagrange multipliers were not those Lagrange multipliers that bring the approximated MSE to minimum. In this paper, we derive a new set of Lagrange multipliers based on the nonlinear expression for the Lagrange multipliers obtained from minimizing the approximated MSE with respect to the Lagrange multipliers. Simulation results indicate that for the high signal to noise ratio (SNR) case, a faster convergence rate is obtained for a channel causing a high initial intersymbol interference (ISI) while the same equalization performance is obtained for an easy channel (initial ISI low). PMID:24723813

Stimulus-dependent Maximum Entropy Models of Neural Population Codes

PubMed Central

Segev, Ronen; Schneidman, Elad

2013-01-01

Neural populations encode information about their stimulus in a collective fashion, by joint activity patterns of spiking and silence. A full account of this mapping from stimulus to neural activity is given by the conditional probability distribution over neural codewords given the sensory input. For large populations, direct sampling of these distributions is impossible, and so we must rely on constructing appropriate models. We show here that in a population of 100 retinal ganglion cells in the salamander retina responding to temporal white-noise stimuli, dependencies between cells play an important encoding role. We introduce the stimulus-dependent maximum entropy (SDME) model—a minimal extension of the canonical linear-nonlinear model of a single neuron, to a pairwise-coupled neural population. We find that the SDME model gives a more accurate account of single cell responses and in particular significantly outperforms uncoupled models in reproducing the distributions of population codewords emitted in response to a stimulus. We show how the SDME model, in conjunction with static maximum entropy models of population vocabulary, can be used to estimate information-theoretic quantities like average surprise and information transmission in a neural population. PMID:23516339

Third-order dissipative hydrodynamics from the entropy principle

NASA Astrophysics Data System (ADS)

El, Andrej; Xu, Zhe; Greiner, Carsten

2010-06-01

We review the entropy based derivation of third-order hydrodynamic equations and compare their solutions in one-dimensional boost-invariant geometry with calculations by the partonic cascade BAMPS. We demonstrate that Grad's approximation, which underlies the derivation of both Israel-Stewart and third-order equations, describes the transverse spectra from BAMPS with high accuracy. At the same time solutions of third-order equations are much closer to BAMPS results than solutions of Israel-Stewart equations. Introducing a resummation scheme for all higher-oder corrections to one-dimensional hydrodynamic equation we demonstrate the importance of higher-order terms if the Knudsen number is large.

Effect of electron count and chemical complexity in the Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor.

PubMed

von Rohr, Fabian; Winiarski, Michał J; Tao, Jing; Klimczuk, Tomasz; Cava, Robert Joseph

2016-11-15

High-entropy alloys are made from random mixtures of principal elements on simple lattices, stabilized by a high mixing entropy. The recently discovered body-centered cubic (BCC) Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor appears to display properties of both simple crystalline intermetallics and amorphous materials; e.g., it has a well-defined superconducting transition along with an exceptional robustness against disorder. Here we show that the valence electron count dependence of the superconducting transition temperature in the high-entropy alloy falls between those of analogous simple solid solutions and amorphous materials and test the effect of alloy complexity on the superconductivity. We propose high-entropy alloys as excellent intermediate systems for studying superconductivity as it evolves between crystalline and amorphous materials.

Finding the quantum thermoelectric with maximal efficiency and minimal entropy production at given power output

NASA Astrophysics Data System (ADS)

Whitney, Robert S.

2015-03-01

We investigate the nonlinear scattering theory for quantum systems with strong Seebeck and Peltier effects, and consider their use as heat engines and refrigerators with finite power outputs. This paper gives detailed derivations of the results summarized in a previous paper [R. S. Whitney, Phys. Rev. Lett. 112, 130601 (2014), 10.1103/PhysRevLett.112.130601]. It shows how to use the scattering theory to find (i) the quantum thermoelectric with maximum possible power output, and (ii) the quantum thermoelectric with maximum efficiency at given power output. The latter corresponds to a minimal entropy production at that power output. These quantities are of quantum origin since they depend on system size over electronic wavelength, and so have no analog in classical thermodynamics. The maximal efficiency coincides with Carnot efficiency at zero power output, but decreases with increasing power output. This gives a fundamental lower bound on entropy production, which means that reversibility (in the thermodynamic sense) is impossible for finite power output. The suppression of efficiency by (nonlinear) phonon and photon effects is addressed in detail; when these effects are strong, maximum efficiency coincides with maximum power. Finally, we show in particular limits (typically without magnetic fields) that relaxation within the quantum system does not allow the system to exceed the bounds derived for relaxation-free systems, however, a general proof of this remains elusive.

Maximum Entropy Approach in Dynamic Contrast-Enhanced Magnetic Resonance Imaging.

PubMed

Farsani, Zahra Amini; Schmid, Volker J

2017-01-01

In the estimation of physiological kinetic parameters from Dynamic Contrast-Enhanced Magnetic Resonance Imaging (DCE-MRI) data, the determination of the arterial input function (AIF) plays a key role. This paper proposes a Bayesian method to estimate the physiological parameters of DCE-MRI along with the AIF in situations, where no measurement of the AIF is available. In the proposed algorithm, the maximum entropy method (MEM) is combined with the maximum a posterior approach (MAP). To this end, MEM is used to specify a prior probability distribution of the unknown AIF. The ability of this method to estimate the AIF is validated using the Kullback-Leibler divergence. Subsequently, the kinetic parameters can be estimated with MAP. The proposed algorithm is evaluated with a data set from a breast cancer MRI study. The application shows that the AIF can reliably be determined from the DCE-MRI data using MEM. Kinetic parameters can be estimated subsequently. The maximum entropy method is a powerful tool to reconstructing images from many types of data. This method is useful for generating the probability distribution based on given information. The proposed method gives an alternative way to assess the input function from the existing data. The proposed method allows a good fit of the data and therefore a better estimation of the kinetic parameters. In the end, this allows for a more reliable use of DCE-MRI. Schattauer GmbH.

Application of a multiscale maximum entropy image restoration algorithm to HXMT observations

NASA Astrophysics Data System (ADS)

Guan, Ju; Song, Li-Ming; Huo, Zhuo-Xi

2016-08-01

This paper introduces a multiscale maximum entropy (MSME) algorithm for image restoration of the Hard X-ray Modulation Telescope (HXMT), which is a collimated scan X-ray satellite mainly devoted to a sensitive all-sky survey and pointed observations in the 1-250 keV range. The novelty of the MSME method is to use wavelet decomposition and multiresolution support to control noise amplification at different scales. Our work is focused on the application and modification of this method to restore diffuse sources detected by HXMT scanning observations. An improved method, the ensemble multiscale maximum entropy (EMSME) algorithm, is proposed to alleviate the problem of mode mixing exiting in MSME. Simulations have been performed on the detection of the diffuse source Cen A by HXMT in all-sky survey mode. The results show that the MSME method is adapted to the deconvolution task of HXMT for diffuse source detection and the improved method could suppress noise and improve the correlation and signal-to-noise ratio, thus proving itself a better algorithm for image restoration. Through one all-sky survey, HXMT could reach a capacity of detecting a diffuse source with maximum differential flux of 0.5 mCrab. Supported by Strategic Priority Research Program on Space Science, Chinese Academy of Sciences (XDA04010300) and National Natural Science Foundation of China (11403014)

Ecosystem functioning and maximum entropy production: a quantitative test of hypotheses.

PubMed

Meysman, Filip J R; Bruers, Stijn

2010-05-12

The idea that entropy production puts a constraint on ecosystem functioning is quite popular in ecological thermodynamics. Yet, until now, such claims have received little quantitative verification. Here, we examine three 'entropy production' hypotheses that have been forwarded in the past. The first states that increased entropy production serves as a fingerprint of living systems. The other two hypotheses invoke stronger constraints. The state selection hypothesis states that when a system can attain multiple steady states, the stable state will show the highest entropy production rate. The gradient response principle requires that when the thermodynamic gradient increases, the system's new stable state should always be accompanied by a higher entropy production rate. We test these three hypotheses by applying them to a set of conventional food web models. Each time, we calculate the entropy production rate associated with the stable state of the ecosystem. This analysis shows that the first hypothesis holds for all the food webs tested: the living state shows always an increased entropy production over the abiotic state. In contrast, the state selection and gradient response hypotheses break down when the food web incorporates more than one trophic level, indicating that they are not generally valid.

Towards operational interpretations of generalized entropies

NASA Astrophysics Data System (ADS)

Topsøe, Flemming

2010-12-01

The driving force behind our study has been to overcome the difficulties you encounter when you try to extend the clear and convincing operational interpretations of classical Boltzmann-Gibbs-Shannon entropy to other notions, especially to generalized entropies as proposed by Tsallis. Our approach is philosophical, based on speculations regarding the interplay between truth, belief and knowledge. The main result demonstrates that, accepting philosophically motivated assumptions, the only possible measures of entropy are those suggested by Tsallis - which, as we know, include classical entropy. This result constitutes, so it seems, a more transparent interpretation of entropy than previously available. However, further research to clarify the assumptions is still needed. Our study points to the thesis that one should never consider the notion of entropy in isolation - in order to enable a rich and technically smooth study, further concepts, such as divergence, score functions and descriptors or controls should be included in the discussion. This will clarify the distinction between Nature and Observer and facilitate a game theoretical discussion. The usefulness of this distinction and the subsequent exploitation of game theoretical results - such as those connected with the notion of Nash equilibrium - is demonstrated by a discussion of the Maximum Entropy Principle.

Geometric entropy and edge modes of the electromagnetic field

NASA Astrophysics Data System (ADS)

Donnelly, William; Wall, Aron C.

2016-11-01

We calculate the vacuum entanglement entropy of Maxwell theory in a class of curved spacetimes by Kaluza-Klein reduction of the theory onto a two-dimensional base manifold. Using two-dimensional duality, we express the geometric entropy of the electromagnetic field as the entropy of a tower of scalar fields, constant electric and magnetic fluxes, and a contact term, whose leading-order divergence was discovered by Kabat. The complete contact term takes the form of one negative scalar degree of freedom confined to the entangling surface. We show that the geometric entropy agrees with a statistical definition of entanglement entropy that includes edge modes: classical solutions determined by their boundary values on the entangling surface. This resolves a long-standing puzzle about the statistical interpretation of the contact term in the entanglement entropy. We discuss the implications of this negative term for black hole thermodynamics and the renormalization of Newton's constant.

Entropy of international trades

NASA Astrophysics Data System (ADS)

Oh, Chang-Young; Lee, D.-S.

2017-05-01

The organization of international trades is highly complex under the collective efforts towards economic profits of participating countries given inhomogeneous resources for production. Considering the trade flux as the probability of exporting a product from a country to another, we evaluate the entropy of the world trades in the period 1950-2000. The trade entropy has increased with time, and we show that it is mainly due to the extension of trade partnership. For a given number of trade partners, the mean trade entropy is about 60% of the maximum possible entropy, independent of time, which can be regarded as a characteristic of the trade fluxes' heterogeneity and is shown to be derived from the scaling and functional behaviors of the universal trade-flux distribution. The correlation and time evolution of the individual countries' gross-domestic products and the number of trade partners show that most countries achieved their economic growth partly by extending their trade relationship.

Jarzynski equality in the context of maximum path entropy

NASA Astrophysics Data System (ADS)

González, Diego; Davis, Sergio

2017-06-01

In the global framework of finding an axiomatic derivation of nonequilibrium Statistical Mechanics from fundamental principles, such as the maximum path entropy - also known as Maximum Caliber principle -, this work proposes an alternative derivation of the well-known Jarzynski equality, a nonequilibrium identity of great importance today due to its applications to irreversible processes: biological systems (protein folding), mechanical systems, among others. This equality relates the free energy differences between two equilibrium thermodynamic states with the work performed when going between those states, through an average over a path ensemble. In this work the analysis of Jarzynski's equality will be performed using the formalism of inference over path space. This derivation highlights the wide generality of Jarzynski's original result, which could even be used in non-thermodynamical settings such as social systems, financial and ecological systems.

Removal of acid blue 062 on aqueous solution using calcinated colemanite ore waste.

PubMed

Atar, Necip; Olgun, Asim

2007-07-19

Colemanite ore waste (CW) has been employed as adsorbent for the removal of acid blue 062 anionic dye (AB 062) from aqueous solution. The adsorption of AB 062 onto CW was examined with respect to contact time, calcination temperature, particle size, pH, adsorbent dosage and temperature. The physical and chemical properties of the CW, such as particle sizes and calcinations temperature, play important roles in dye adsorption. The dye adsorption largely depends on the initial pH of the solution with maximum uptake occurring at pH 1. Three simplified kinetics models, namely, pseudo-first order, pseudo-second order, and intraparticle diffusion models were tested to investigate the adsorption mechanisms. The kinetic adsorption of AB 062 on CW follows a pseudo-second order equation. The adsorption data have been analyzed using Langmuir and Freundlich isotherms. The results indicate that the Langmuir model provides the best correlation of the experimental data. Isotherms have also been used to obtain the thermodynamic parameters such as free energy, enthalpy and entropy of the adsorption of dye onto CW.

Numerical solutions of the semiclassical Boltzmann ellipsoidal-statistical kinetic model equation

PubMed Central

Yang, Jaw-Yen; Yan, Chin-Yuan; Huang, Juan-Chen; Li, Zhihui

2014-01-01

Computations of rarefied gas dynamical flows governed by the semiclassical Boltzmann ellipsoidal-statistical (ES) kinetic model equation using an accurate numerical method are presented. The semiclassical ES model was derived through the maximum entropy principle and conserves not only the mass, momentum and energy, but also contains additional higher order moments that differ from the standard quantum distributions. A different decoding procedure to obtain the necessary parameters for determining the ES distribution is also devised. The numerical method in phase space combines the discrete-ordinate method in momentum space and the high-resolution shock capturing method in physical space. Numerical solutions of two-dimensional Riemann problems for two configurations covering various degrees of rarefaction are presented and various contours of the quantities unique to this new model are illustrated. When the relaxation time becomes very small, the main flow features a display similar to that of ideal quantum gas dynamics, and the present solutions are found to be consistent with existing calculations for classical gas. The effect of a parameter that permits an adjustable Prandtl number in the flow is also studied. PMID:25104904

Exact solution of the hidden Markov processes.

PubMed

Saakian, David B

2017-11-01

We write a master equation for the distributions related to hidden Markov processes (HMPs) and solve it using a functional equation. Thus the solution of HMPs is mapped exactly to the solution of the functional equation. For a general case the latter can be solved only numerically. We derive an exact expression for the entropy of HMPs. Our expression for the entropy is an alternative to the ones given before by the solution of integral equations. The exact solution is possible because actually the model can be considered as a generalized random walk on a one-dimensional strip. While we give the solution for the two second-order matrices, our solution can be easily generalized for the L values of the Markov process and M values of observables: We should be able to solve a system of L functional equations in the space of dimension M-1.

Exact solution of the hidden Markov processes

NASA Astrophysics Data System (ADS)

Saakian, David B.

2017-11-01

We write a master equation for the distributions related to hidden Markov processes (HMPs) and solve it using a functional equation. Thus the solution of HMPs is mapped exactly to the solution of the functional equation. For a general case the latter can be solved only numerically. We derive an exact expression for the entropy of HMPs. Our expression for the entropy is an alternative to the ones given before by the solution of integral equations. The exact solution is possible because actually the model can be considered as a generalized random walk on a one-dimensional strip. While we give the solution for the two second-order matrices, our solution can be easily generalized for the L values of the Markov process and M values of observables: We should be able to solve a system of L functional equations in the space of dimension M -1 .

Computational problems and signal processing in SETI

NASA Technical Reports Server (NTRS)

Deans, Stanley R.; Cullers, D. K.; Stauduhar, Richard

1991-01-01

The Search for Extraterrestrial Intelligence (SETI), currently being planned at NASA, will require that an enormous amount of data (on the order of 10 exp 11 distinct signal paths for a typical observation) be analyzed in real time by special-purpose hardware. Even though the SETI system design is not based on maximum entropy and Bayesian methods (partly due to the real-time processing constraint), it is expected that enough data will be saved to be able to apply these and other methods off line where computational complexity is not an overriding issue. Interesting computational problems that relate directly to the system design for processing such an enormous amount of data have emerged. Some of these problems are discussed, along with the current status on their solution.

A basic introduction to the thermodynamics of the Earth system far from equilibrium and maximum entropy production

PubMed Central

Kleidon, A.

2010-01-01

The Earth system is remarkably different from its planetary neighbours in that it shows pronounced, strong global cycling of matter. These global cycles result in the maintenance of a unique thermodynamic state of the Earth's atmosphere which is far from thermodynamic equilibrium (TE). Here, I provide a simple introduction of the thermodynamic basis to understand why Earth system processes operate so far away from TE. I use a simple toy model to illustrate the application of non-equilibrium thermodynamics and to classify applications of the proposed principle of maximum entropy production (MEP) to such processes into three different cases of contrasting flexibility in the boundary conditions. I then provide a brief overview of the different processes within the Earth system that produce entropy, review actual examples of MEP in environmental and ecological systems, and discuss the role of interactions among dissipative processes in making boundary conditions more flexible. I close with a brief summary and conclusion. PMID:20368248

Maximum entropy formalism for the analytic continuation of matrix-valued Green's functions

NASA Astrophysics Data System (ADS)

Kraberger, Gernot J.; Triebl, Robert; Zingl, Manuel; Aichhorn, Markus

2017-10-01

We present a generalization of the maximum entropy method to the analytic continuation of matrix-valued Green's functions. To treat off-diagonal elements correctly based on Bayesian probability theory, the entropy term has to be extended for spectral functions that are possibly negative in some frequency ranges. In that way, all matrix elements of the Green's function matrix can be analytically continued; we introduce a computationally cheap element-wise method for this purpose. However, this method cannot ensure important constraints on the mathematical properties of the resulting spectral functions, namely positive semidefiniteness and Hermiticity. To improve on this, we present a full matrix formalism, where all matrix elements are treated simultaneously. We show the capabilities of these methods using insulating and metallic dynamical mean-field theory (DMFT) Green's functions as test cases. Finally, we apply the methods to realistic material calculations for LaTiO3, where off-diagonal matrix elements in the Green's function appear due to the distorted crystal structure.

A basic introduction to the thermodynamics of the Earth system far from equilibrium and maximum entropy production.

PubMed

Kleidon, A

2010-05-12

The Earth system is remarkably different from its planetary neighbours in that it shows pronounced, strong global cycling of matter. These global cycles result in the maintenance of a unique thermodynamic state of the Earth's atmosphere which is far from thermodynamic equilibrium (TE). Here, I provide a simple introduction of the thermodynamic basis to understand why Earth system processes operate so far away from TE. I use a simple toy model to illustrate the application of non-equilibrium thermodynamics and to classify applications of the proposed principle of maximum entropy production (MEP) to such processes into three different cases of contrasting flexibility in the boundary conditions. I then provide a brief overview of the different processes within the Earth system that produce entropy, review actual examples of MEP in environmental and ecological systems, and discuss the role of interactions among dissipative processes in making boundary conditions more flexible. I close with a brief summary and conclusion.

An entropy-based method for determining the flow depth distribution in natural channels

NASA Astrophysics Data System (ADS)

Moramarco, Tommaso; Corato, Giovanni; Melone, Florisa; Singh, Vijay P.

2013-08-01

A methodology for determining the bathymetry of river cross-sections during floods by the sampling of surface flow velocity and existing low flow hydraulic data is developed . Similar to Chiu (1988) who proposed an entropy-based velocity distribution, the flow depth distribution in a cross-section of a natural channel is derived by entropy maximization. The depth distribution depends on one parameter, whose estimate is straightforward, and on the maximum flow depth. Applying to a velocity data set of five river gage sites, the method modeled the flow area observed during flow measurements and accurately assessed the corresponding discharge by coupling the flow depth distribution and the entropic relation between mean velocity and maximum velocity. The methodology unfolds a new perspective for flow monitoring by remote sensing, considering that the two main quantities on which the methodology is based, i.e., surface flow velocity and flow depth, might be potentially sensed by new sensors operating aboard an aircraft or satellite.

Bayesian Approach to Spectral Function Reconstruction for Euclidean Quantum Field Theories

NASA Astrophysics Data System (ADS)

Burnier, Yannis; Rothkopf, Alexander

2013-11-01

We present a novel approach to the inference of spectral functions from Euclidean time correlator data that makes close contact with modern Bayesian concepts. Our method differs significantly from the maximum entropy method (MEM). A new set of axioms is postulated for the prior probability, leading to an improved expression, which is devoid of the asymptotically flat directions present in the Shanon-Jaynes entropy. Hyperparameters are integrated out explicitly, liberating us from the Gaussian approximations underlying the evidence approach of the maximum entropy method. We present a realistic test of our method in the context of the nonperturbative extraction of the heavy quark potential. Based on hard-thermal-loop correlator mock data, we establish firm requirements in the number of data points and their accuracy for a successful extraction of the potential from lattice QCD. Finally we reinvestigate quenched lattice QCD correlators from a previous study and provide an improved potential estimation at T=2.33TC.

Bayesian approach to spectral function reconstruction for Euclidean quantum field theories.

PubMed

Burnier, Yannis; Rothkopf, Alexander

2013-11-01

We present a novel approach to the inference of spectral functions from Euclidean time correlator data that makes close contact with modern Bayesian concepts. Our method differs significantly from the maximum entropy method (MEM). A new set of axioms is postulated for the prior probability, leading to an improved expression, which is devoid of the asymptotically flat directions present in the Shanon-Jaynes entropy. Hyperparameters are integrated out explicitly, liberating us from the Gaussian approximations underlying the evidence approach of the maximum entropy method. We present a realistic test of our method in the context of the nonperturbative extraction of the heavy quark potential. Based on hard-thermal-loop correlator mock data, we establish firm requirements in the number of data points and their accuracy for a successful extraction of the potential from lattice QCD. Finally we reinvestigate quenched lattice QCD correlators from a previous study and provide an improved potential estimation at T=2.33T(C).

Principle of maximum entropy for reliability analysis in the design of machine components

NASA Astrophysics Data System (ADS)

Zhang, Yimin

2018-03-01

We studied the reliability of machine components with parameters that follow an arbitrary statistical distribution using the principle of maximum entropy (PME). We used PME to select the statistical distribution that best fits the available information. We also established a probability density function (PDF) and a failure probability model for the parameters of mechanical components using the concept of entropy and the PME. We obtained the first four moments of the state function for reliability analysis and design. Furthermore, we attained an estimate of the PDF with the fewest human bias factors using the PME. This function was used to calculate the reliability of the machine components, including a connecting rod, a vehicle half-shaft, a front axle, a rear axle housing, and a leaf spring, which have parameters that typically follow a non-normal distribution. Simulations were conducted for comparison. This study provides a design methodology for the reliability of mechanical components for practical engineering projects.

A secure image encryption method based on dynamic harmony search (DHS) combined with chaotic map

NASA Astrophysics Data System (ADS)

Mirzaei Talarposhti, Khadijeh; Khaki Jamei, Mehrzad

2016-06-01

In recent years, there has been increasing interest in the security of digital images. This study focuses on the gray scale image encryption using dynamic harmony search (DHS). In this research, first, a chaotic map is used to create cipher images, and then the maximum entropy and minimum correlation coefficient is obtained by applying a harmony search algorithm on them. This process is divided into two steps. In the first step, the diffusion of a plain image using DHS to maximize the entropy as a fitness function will be performed. However, in the second step, a horizontal and vertical permutation will be applied on the best cipher image, which is obtained in the previous step. Additionally, DHS has been used to minimize the correlation coefficient as a fitness function in the second step. The simulation results have shown that by using the proposed method, the maximum entropy and the minimum correlation coefficient, which are approximately 7.9998 and 0.0001, respectively, have been obtained.

Statistical mechanics of letters in words

PubMed Central

Stephens, Greg J.; Bialek, William

2013-01-01

We consider words as a network of interacting letters, and approximate the probability distribution of states taken on by this network. Despite the intuition that the rules of English spelling are highly combinatorial and arbitrary, we find that maximum entropy models consistent with pairwise correlations among letters provide a surprisingly good approximation to the full statistics of words, capturing ~92% of the multi-information in four-letter words and even “discovering” words that were not represented in the data. These maximum entropy models incorporate letter interactions through a set of pairwise potentials and thus define an energy landscape on the space of possible words. Guided by the large letter redundancy we seek a lower-dimensional encoding of the letter distribution and show that distinctions between local minima in the landscape account for ~68% of the four-letter entropy. We suggest that these states provide an effective vocabulary which is matched to the frequency of word use and much smaller than the full lexicon. PMID:20866490

Weak scale from the maximum entropy principle

NASA Astrophysics Data System (ADS)

Hamada, Yuta; Kawai, Hikaru; Kawana, Kiyoharu

2015-03-01

The theory of the multiverse and wormholes suggests that the parameters of the Standard Model (SM) are fixed in such a way that the radiation of the S3 universe at the final stage S_rad becomes maximum, which we call the maximum entropy principle. Although it is difficult to confirm this principle generally, for a few parameters of the SM, we can check whether S_rad actually becomes maximum at the observed values. In this paper, we regard S_rad at the final stage as a function of the weak scale (the Higgs expectation value) vh, and show that it becomes maximum around vh = {{O}} (300 GeV) when the dimensionless couplings in the SM, i.e., the Higgs self-coupling, the gauge couplings, and the Yukawa couplings are fixed. Roughly speaking, we find that the weak scale is given by vh ˜ T_{BBN}2 / (M_{pl}ye5), where ye is the Yukawa coupling of electron, T_BBN is the temperature at which the Big Bang nucleosynthesis starts, and M_pl is the Planck mass.

Effect of electron count and chemical complexity in the Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor

DOE Office of Scientific and Technical Information (OSTI.GOV)

von Rohr, Fabian; Winiarski, Michał J.; Tao, Jing

High-entropy alloys are made from random mixtures of principal elements on simple lattices, stabilized by a high mixing entropy. The recently discovered body-centered cubic (BCC) Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor appears to display properties of both simple crystalline intermetallics and amorphous materials; e.g., it has a well-defined superconducting transition along with an exceptional robustness against disorder. Here we show that the valence electron count dependence of the superconducting transition temperature in the high-entropy alloy falls between those of analogous simple solid solutions and amorphous materials and test the effect of alloy complexity on the superconductivity. We propose high-entropy alloys as excellentmore » intermediate systems for studying superconductivity as it evolves between crystalline and amorphous materials.« less

Effect of electron count and chemical complexity in the Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor

PubMed Central

von Rohr, Fabian; Winiarski, Michał J.; Tao, Jing; Klimczuk, Tomasz; Cava, Robert Joseph

2016-01-01

High-entropy alloys are made from random mixtures of principal elements on simple lattices, stabilized by a high mixing entropy. The recently discovered body-centered cubic (BCC) Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor appears to display properties of both simple crystalline intermetallics and amorphous materials; e.g., it has a well-defined superconducting transition along with an exceptional robustness against disorder. Here we show that the valence electron count dependence of the superconducting transition temperature in the high-entropy alloy falls between those of analogous simple solid solutions and amorphous materials and test the effect of alloy complexity on the superconductivity. We propose high-entropy alloys as excellent intermediate systems for studying superconductivity as it evolves between crystalline and amorphous materials. PMID:27803330

Effect of electron count and chemical complexity in the Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor

DOE PAGES

von Rohr, Fabian; Winiarski, Michał J.; Tao, Jing; ...

2016-11-01

High-entropy alloys are made from random mixtures of principal elements on simple lattices, stabilized by a high mixing entropy. The recently discovered body-centered cubic (BCC) Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor appears to display properties of both simple crystalline intermetallics and amorphous materials; e.g., it has a well-defined superconducting transition along with an exceptional robustness against disorder. Here we show that the valence electron count dependence of the superconducting transition temperature in the high-entropy alloy falls between those of analogous simple solid solutions and amorphous materials and test the effect of alloy complexity on the superconductivity. We propose high-entropy alloys as excellentmore » intermediate systems for studying superconductivity as it evolves between crystalline and amorphous materials.« less

One- and two-channel Kondo model with logarithmic Van Hove singularity: A numerical renormalization group solution

NASA Astrophysics Data System (ADS)

Zhuravlev, A. K.; Anokhin, A. O.; Irkhin, V. Yu.

2018-02-01

Simple scaling consideration and NRG solution of the one- and two-channel Kondo model in the presence of a logarithmic Van Hove singularity at the Fermi level is given. The temperature dependences of local and impurity magnetic susceptibility and impurity entropy are calculated. The low-temperature behavior of the impurity susceptibility and impurity entropy turns out to be non-universal in the Kondo sense and independent of the s-d coupling J. The resonant level model solution in the strong coupling regime confirms the NRG results. In the two-channel case the local susceptibility demonstrates a non-Fermi-liquid power-law behavior.

Prediction of Metabolite Concentrations, Rate Constants and Post-Translational Regulation Using Maximum Entropy-Based Simulations with Application to Central Metabolism of Neurospora crassa

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cannon, William; Zucker, Jeremy; Baxter, Douglas

We report the application of a recently proposed approach for modeling biological systems using a maximum entropy production rate principle in lieu of having in vivo rate constants. The method is applied in four steps: (1) a new ODE-based optimization approach based on Marcelin’s 1910 mass action equation is used to obtain the maximum entropy distribution, (2) the predicted metabolite concentrations are compared to those generally expected from experiment using a loss function from which post-translational regulation of enzymes is inferred, (3) the system is re-optimized with the inferred regulation from which rate constants are determined from the metabolite concentrationsmore » and reaction fluxes, and finally (4) a full ODE-based, mass action simulation with rate parameters and allosteric regulation is obtained. From the last step, the power characteristics and resistance of each reaction can be determined. The method is applied to the central metabolism of Neurospora crassa and the flow of material through the three competing pathways of upper glycolysis, the non-oxidative pentose phosphate pathway, and the oxidative pentose phosphate pathway are evaluated as a function of the NADP/NADPH ratio. It is predicted that regulation of phosphofructokinase (PFK) and flow through the pentose phosphate pathway are essential for preventing an extreme level of fructose 1, 6-bisphophate accumulation. Such an extreme level of fructose 1,6-bisphophate would otherwise result in a glassy cytoplasm with limited diffusion, dramatically decreasing the entropy and energy production rate and, consequently, biological competitiveness.« less

Single-particle spectral density of the unitary Fermi gas: Novel approach based on the operator product expansion, sum rules and the maximum entropy method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gubler, Philipp, E-mail: pgubler@riken.jp; RIKEN Nishina Center, Wako, Saitama 351-0198; Yamamoto, Naoki

2015-05-15

Making use of the operator product expansion, we derive a general class of sum rules for the imaginary part of the single-particle self-energy of the unitary Fermi gas. The sum rules are analyzed numerically with the help of the maximum entropy method, which allows us to extract the single-particle spectral density as a function of both energy and momentum. These spectral densities contain basic information on the properties of the unitary Fermi gas, such as the dispersion relation and the superfluid pairing gap, for which we obtain reasonable agreement with the available results based on quantum Monte-Carlo simulations.

A probability space for quantum models

NASA Astrophysics Data System (ADS)

Lemmens, L. F.

2017-06-01

A probability space contains a set of outcomes, a collection of events formed by subsets of the set of outcomes and probabilities defined for all events. A reformulation in terms of propositions allows to use the maximum entropy method to assign the probabilities taking some constraints into account. The construction of a probability space for quantum models is determined by the choice of propositions, choosing the constraints and making the probability assignment by the maximum entropy method. This approach shows, how typical quantum distributions such as Maxwell-Boltzmann, Fermi-Dirac and Bose-Einstein are partly related with well-known classical distributions. The relation between the conditional probability density, given some averages as constraints and the appropriate ensemble is elucidated.

Learning probability distributions from smooth observables and the maximum entropy principle: some remarks

NASA Astrophysics Data System (ADS)

Obuchi, Tomoyuki; Monasson, Rémi

2015-09-01

The maximum entropy principle (MEP) is a very useful working hypothesis in a wide variety of inference problems, ranging from biological to engineering tasks. To better understand the reasons of the success of MEP, we propose a statistical-mechanical formulation to treat the space of probability distributions constrained by the measures of (experimental) observables. In this paper we first review the results of a detailed analysis of the simplest case of randomly chosen observables. In addition, we investigate by numerical and analytical means the case of smooth observables, which is of practical relevance. Our preliminary results are presented and discussed with respect to the efficiency of the MEP.

The calculation of transport properties in quantum liquids using the maximum entropy numerical analytic continuation method: Application to liquid para-hydrogen

PubMed Central

Rabani, Eran; Reichman, David R.; Krilov, Goran; Berne, Bruce J.

2002-01-01

We present a method based on augmenting an exact relation between a frequency-dependent diffusion constant and the imaginary time velocity autocorrelation function, combined with the maximum entropy numerical analytic continuation approach to study transport properties in quantum liquids. The method is applied to the case of liquid para-hydrogen at two thermodynamic state points: a liquid near the triple point and a high-temperature liquid. Good agreement for the self-diffusion constant and for the real-time velocity autocorrelation function is obtained in comparison to experimental measurements and other theoretical predictions. Improvement of the methodology and future applications are discussed. PMID:11830656

Thermodynamical properties of hairy black holes in n spacetime dimensions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nadalini, Mario; Vanzo, Luciano; Zerbini, Sergio

The issue concerning the existence of exact black hole solutions in the presence of a nonvanishing cosmological constant and scalar fields is reconsidered. With regard to this, in investigating no-hair theorem violations, exact solutions of gravity having as a source an interacting and conformally coupled scalar field are revisited in arbitrary dimensional nonasymptotically flat space-times. New and known hairy black hole solutions are discussed. The thermodynamical properties associated with these solutions are investigated and the invariance of the black hole entropy with respect to different conformal frames is proved. The issue of the positivity of the entropy is discussed andmore » resolved for the case of black holes immersed in de Sitter space.« less

Maximum entropy production, carbon assimilation, and the spatial organization of vegetation in river basins

PubMed Central

del Jesus, Manuel; Foti, Romano; Rinaldo, Andrea; Rodriguez-Iturbe, Ignacio

2012-01-01

The spatial organization of functional vegetation types in river basins is a major determinant of their runoff production, biodiversity, and ecosystem services. The optimization of different objective functions has been suggested to control the adaptive behavior of plants and ecosystems, often without a compelling justification. Maximum entropy production (MEP), rooted in thermodynamics principles, provides a tool to justify the choice of the objective function controlling vegetation organization. The application of MEP at the ecosystem scale results in maximum productivity (i.e., maximum canopy photosynthesis) as the thermodynamic limit toward which the organization of vegetation appears to evolve. Maximum productivity, which incorporates complex hydrologic feedbacks, allows us to reproduce the spatial macroscopic organization of functional types of vegetation in a thoroughly monitored river basin, without the need for a reductionist description of the underlying microscopic dynamics. The methodology incorporates the stochastic characteristics of precipitation and the associated soil moisture on a spatially disaggregated framework. Our results suggest that the spatial organization of functional vegetation types in river basins naturally evolves toward configurations corresponding to dynamically accessible local maxima of the maximum productivity of the ecosystem. PMID:23213227

Identifying topological-band insulator transitions in silicene and other 2D gapped Dirac materials by means of Rényi-Wehrl entropy

NASA Astrophysics Data System (ADS)

Calixto, M.; Romera, E.

2015-02-01

We propose a new method to identify transitions from a topological insulator to a band insulator in silicene (the silicon equivalent of graphene) in the presence of perpendicular magnetic and electric fields, by using the Rényi-Wehrl entropy of the quantum state in phase space. Electron-hole entropies display an inversion/crossing behavior at the charge neutrality point for any Landau level, and the combined entropy of particles plus holes turns out to be maximum at this critical point. The result is interpreted in terms of delocalization of the quantum state in phase space. The entropic description presented in this work will be valid in general 2D gapped Dirac materials, with a strong intrinsic spin-orbit interaction, isostructural with silicene.

Maximum entropy principal for transportation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bilich, F.; Da Silva, R.

In this work we deal with modeling of the transportation phenomenon for use in the transportation planning process and policy-impact studies. The model developed is based on the dependence concept, i.e., the notion that the probability of a trip starting at origin i is dependent on the probability of a trip ending at destination j given that the factors (such as travel time, cost, etc.) which affect travel between origin i and destination j assume some specific values. The derivation of the solution of the model employs the maximum entropy principle combining a priori multinomial distribution with a trip utilitymore » concept. This model is utilized to forecast trip distributions under a variety of policy changes and scenarios. The dependence coefficients are obtained from a regression equation where the functional form is derived based on conditional probability and perception of factors from experimental psychology. The dependence coefficients encode all the information that was previously encoded in the form of constraints. In addition, the dependence coefficients encode information that cannot be expressed in the form of constraints for practical reasons, namely, computational tractability. The equivalence between the standard formulation (i.e., objective function with constraints) and the dependence formulation (i.e., without constraints) is demonstrated. The parameters of the dependence-based trip-distribution model are estimated, and the model is also validated using commercial air travel data in the U.S. In addition, policy impact analyses (such as allowance of supersonic flights inside the U.S. and user surcharge at noise-impacted airports) on air travel are performed.« less

Dual-threshold segmentation using Arimoto entropy based on chaotic bee colony optimization

NASA Astrophysics Data System (ADS)

Li, Li

2018-03-01

In order to extract target from complex background more quickly and accurately, and to further improve the detection effect of defects, a method of dual-threshold segmentation using Arimoto entropy based on chaotic bee colony optimization was proposed. Firstly, the method of single-threshold selection based on Arimoto entropy was extended to dual-threshold selection in order to separate the target from the background more accurately. Then intermediate variables in formulae of Arimoto entropy dual-threshold selection was calculated by recursion to eliminate redundant computation effectively and to reduce the amount of calculation. Finally, the local search phase of artificial bee colony algorithm was improved by chaotic sequence based on tent mapping. The fast search for two optimal thresholds was achieved using the improved bee colony optimization algorithm, thus the search could be accelerated obviously. A large number of experimental results show that, compared with the existing segmentation methods such as multi-threshold segmentation method using maximum Shannon entropy, two-dimensional Shannon entropy segmentation method, two-dimensional Tsallis gray entropy segmentation method and multi-threshold segmentation method using reciprocal gray entropy, the proposed method can segment target more quickly and accurately with superior segmentation effect. It proves to be an instant and effective method for image segmentation.

Green Synthesis of Zinc Oxide Nanoparticles for Enhanced Adsorption of Lead Ions from Aqueous Solutions: Equilibrium, Kinetic and Thermodynamic Studies.

PubMed

Azizi, Susan; Mahdavi Shahri, Mahnaz; Mohamad, Rosfarizan

2017-06-08

In the present study, ZnO nanoparticles (NPs) were synthesized in zerumbone solution by a green approach and appraised for their ability to absorb Pb(II) ions from aqueous solution. The formation of as-synthesized NPs was established by X-ray diffraction (XRD), Transmission Electron Microscopy (TEM), and UV-visible studies. The XRD and TEM analyses revealed high purity and wurtzite hexagonal structure of ZnO NPs with a mean size of 10.01 ± 2.6 nm. Batch experiments were performed to investigate the impact of process parameters viz. Pb(II) concentration, pH of solution, adsorbent mass, solution temperature, and contact time variations on the removal efficiency of Pb(II). The adsorption isotherm data provided that the adsorption process was mainly monolayer on ZnO NPs. The adsorption process follows pseudo-second-order reaction kinetic. The maximum removal efficiencies were 93% at pH 5. Thermodynamic parameters such as enthalpy change (ΔH⁰), free energy change (ΔG⁰), and entropy change (ΔS⁰) were calculated; the adsorption process was spontaneous and endothermic. The good efficiency of the as-synthesized NPs makes them attractive for applications in water treatment, for removal of heavy metals from aqueous system.

On the morphological instability of a bubble during inertia-controlled growth

NASA Astrophysics Data System (ADS)

Martyushev, L. M.; Birzina, A. I.; Soboleva, A. S.

2018-06-01

The morphological stability of a spherical bubble growing under inertia control is analyzed. Based on the comparison of entropy productions for a distorted and undistorted surface and using the maximum entropy production principle, the morphological instability of the bubble under arbitrary amplitude distortions is shown. This result allows explaining a number of experiments where the surface roughness of bubbles was observed during their explosive-type growth.

Entropy Production in Collisionless Systems. II. Arbitrary Phase-space Occupation Numbers

NASA Astrophysics Data System (ADS)

Barnes, Eric I.; Williams, Liliya L. R.

2012-04-01

We present an analysis of two thermodynamic techniques for determining equilibria of self-gravitating systems. One is the Lynden-Bell (LB) entropy maximization analysis that introduced violent relaxation. Since we do not use the Stirling approximation, which is invalid at small occupation numbers, our systems have finite mass, unlike LB's isothermal spheres. (Instead of Stirling, we utilize a very accurate smooth approximation for ln x!.) The second analysis extends entropy production extremization to self-gravitating systems, also without the use of the Stirling approximation. In addition to the LB statistical family characterized by the exclusion principle in phase space, and designed to treat collisionless systems, we also apply the two approaches to the Maxwell-Boltzmann (MB) families, which have no exclusion principle and hence represent collisional systems. We implicitly assume that all of the phase space is equally accessible. We derive entropy production expressions for both families and give the extremum conditions for entropy production. Surprisingly, our analysis indicates that extremizing entropy production rate results in systems that have maximum entropy, in both LB and MB statistics. In other words, both thermodynamic approaches lead to the same equilibrium structures.

Prediction of pKa Values for Neutral and Basic Drugs based on Hybrid Artificial Intelligence Methods.

PubMed

Li, Mengshan; Zhang, Huaijing; Chen, Bingsheng; Wu, Yan; Guan, Lixin

2018-03-05

The pKa value of drugs is an important parameter in drug design and pharmacology. In this paper, an improved particle swarm optimization (PSO) algorithm was proposed based on the population entropy diversity. In the improved algorithm, when the population entropy was higher than the set maximum threshold, the convergence strategy was adopted; when the population entropy was lower than the set minimum threshold the divergence strategy was adopted; when the population entropy was between the maximum and minimum threshold, the self-adaptive adjustment strategy was maintained. The improved PSO algorithm was applied in the training of radial basis function artificial neural network (RBF ANN) model and the selection of molecular descriptors. A quantitative structure-activity relationship model based on RBF ANN trained by the improved PSO algorithm was proposed to predict the pKa values of 74 kinds of neutral and basic drugs and then validated by another database containing 20 molecules. The validation results showed that the model had a good prediction performance. The absolute average relative error, root mean square error, and squared correlation coefficient were 0.3105, 0.0411, and 0.9685, respectively. The model can be used as a reference for exploring other quantitative structure-activity relationships.

Developing the fuzzy c-means clustering algorithm based on maximum entropy for multitarget tracking in a cluttered environment

NASA Astrophysics Data System (ADS)

Chen, Xiao; Li, Yaan; Yu, Jing; Li, Yuxing

2018-01-01

For fast and more effective implementation of tracking multiple targets in a cluttered environment, we propose a multiple targets tracking (MTT) algorithm called maximum entropy fuzzy c-means clustering joint probabilistic data association that combines fuzzy c-means clustering and the joint probabilistic data association (PDA) algorithm. The algorithm uses the membership value to express the probability of the target originating from measurement. The membership value is obtained through fuzzy c-means clustering objective function optimized by the maximum entropy principle. When considering the effect of the public measurement, we use a correction factor to adjust the association probability matrix to estimate the state of the target. As this algorithm avoids confirmation matrix splitting, it can solve the high computational load problem of the joint PDA algorithm. The results of simulations and analysis conducted for tracking neighbor parallel targets and cross targets in a different density cluttered environment show that the proposed algorithm can realize MTT quickly and efficiently in a cluttered environment. Further, the performance of the proposed algorithm remains constant with increasing process noise variance. The proposed algorithm has the advantages of efficiency and low computational load, which can ensure optimum performance when tracking multiple targets in a dense cluttered environment.

Maximum entropy methods for extracting the learned features of deep neural networks.

PubMed

Finnegan, Alex; Song, Jun S

2017-10-01

New architectures of multilayer artificial neural networks and new methods for training them are rapidly revolutionizing the application of machine learning in diverse fields, including business, social science, physical sciences, and biology. Interpreting deep neural networks, however, currently remains elusive, and a critical challenge lies in understanding which meaningful features a network is actually learning. We present a general method for interpreting deep neural networks and extracting network-learned features from input data. We describe our algorithm in the context of biological sequence analysis. Our approach, based on ideas from statistical physics, samples from the maximum entropy distribution over possible sequences, anchored at an input sequence and subject to constraints implied by the empirical function learned by a network. Using our framework, we demonstrate that local transcription factor binding motifs can be identified from a network trained on ChIP-seq data and that nucleosome positioning signals are indeed learned by a network trained on chemical cleavage nucleosome maps. Imposing a further constraint on the maximum entropy distribution also allows us to probe whether a network is learning global sequence features, such as the high GC content in nucleosome-rich regions. This work thus provides valuable mathematical tools for interpreting and extracting learned features from feed-forward neural networks.

Formulating the shear stress distribution in circular open channels based on the Renyi entropy

NASA Astrophysics Data System (ADS)

Khozani, Zohreh Sheikh; Bonakdari, Hossein

2018-01-01

The principle of maximum entropy is employed to derive the shear stress distribution by maximizing the Renyi entropy subject to some constraints and by assuming that dimensionless shear stress is a random variable. A Renyi entropy-based equation can be used to model the shear stress distribution along the entire wetted perimeter of circular channels and circular channels with flat beds and deposited sediments. A wide range of experimental results for 12 hydraulic conditions with different Froude numbers (0.375 to 1.71) and flow depths (20.3 to 201.5 mm) were used to validate the derived shear stress distribution. For circular channels, model performance enhanced with increasing flow depth (mean relative error (RE) of 0.0414) and only deteriorated slightly at the greatest flow depth (RE of 0.0573). For circular channels with flat beds, the Renyi entropy model predicted the shear stress distribution well at lower sediment depth. The Renyi entropy model results were also compared with Shannon entropy model results. Both models performed well for circular channels, but for circular channels with flat beds the Renyi entropy model displayed superior performance in estimating the shear stress distribution. The Renyi entropy model was highly precise and predicted the shear stress distribution in a circular channel with RE of 0.0480 and in a circular channel with a flat bed with RE of 0.0488.

The convergence rate of approximate solutions for nonlinear scalar conservation laws

NASA Technical Reports Server (NTRS)

Nessyahu, Haim; Tadmor, Eitan

1991-01-01

The convergence rate is discussed of approximate solutions for the nonlinear scalar conservation law. The linear convergence theory is extended into a weak regime. The extension is based on the usual two ingredients of stability and consistency. On the one hand, the counterexamples show that one must strengthen the linearized L(sup 2)-stability requirement. It is assumed that the approximate solutions are Lip(sup +)-stable in the sense that they satisfy a one-sided Lipschitz condition, in agreement with Oleinik's E-condition for the entropy solution. On the other hand, the lack of smoothness requires to weaken the consistency requirement, which is measured in the Lip'-(semi)norm. It is proved for Lip(sup +)-stable approximate solutions, that their Lip'convergence rate to the entropy solution is of the same order as their Lip'-consistency. The Lip'-convergence rate is then converted into stronger L(sup p) convergence rate estimates.

Numerical study of entropy generation in MHD water-based carbon nanotubes along an inclined permeable surface

NASA Astrophysics Data System (ADS)

Soomro, Feroz Ahmed; Rizwan-ul-Haq; Khan, Z. H.; Zhang, Qiang

2017-10-01

Main theme of the article is to examine the entropy generation analysis for the magneto-hydrodynamic mixed convection flow of water functionalized carbon nanotubes along an inclined stretching surface. Thermophysical properties of both particles and working fluid are incorporated in the system of governing partial differential equations. Rehabilitation of nonlinear system of equations is obtained via similarity transformations. Moreover, solutions of these equations are further utilized to determine the volumetric entropy and characteristic entropy generation. Solutions of governing boundary layer equations are obtained numerically using the finite difference method. Effects of two types of carbon nanotubes, namely, single-wall carbon nanotubes (SWCNTs) and multi-wall carbon nanotubes (MWCNTs) with water as base fluid have been analyzed over the physical quantities of interest, namely, surface skin friction, heat transfer rate and entropy generation coefficients. Influential results of velocities, temperature, entropy generation and isotherms are plotted against the emerging parameter, namely, nanoparticle fraction 0≤φ ≤ 0.2, thermal convective parameter 0≤ λ ≤ 5, Hartmann number 0≤ M≤ 2, suction/injection parameter -1≤ S≤ 1, and Eckert number 0≤ Ec ≤ 2. It is finally concluded that skin friction increases due to the increase in the magnetic parameter, suction/injection and nanoparticle volume fraction, whereas the Nusselt number shows an increasing trend due to the increase in the suction parameter, mixed convection parameter and nanoparticle volume fraction. Similarly, entropy generation shows an opposite behavior for the Hartmann number and mixed convection parameter for both single-wall and multi-wall carbon nanotubes.

A mechanism producing power law etc. distributions

NASA Astrophysics Data System (ADS)

Li, Heling; Shen, Hongjun; Yang, Bin

2017-07-01

Power law distribution is playing an increasingly important role in the complex system study. Based on the insolvability of complex systems, the idea of incomplete statistics is utilized and expanded, three different exponential factors are introduced in equations about the normalization condition, statistical average and Shannon entropy, with probability distribution function deduced about exponential function, power function and the product form between power function and exponential function derived from Shannon entropy and maximal entropy principle. So it is shown that maximum entropy principle can totally replace equal probability hypothesis. Owing to the fact that power and probability distribution in the product form between power function and exponential function, which cannot be derived via equal probability hypothesis, can be derived by the aid of maximal entropy principle, it also can be concluded that maximal entropy principle is a basic principle which embodies concepts more extensively and reveals basic principles on motion laws of objects more fundamentally. At the same time, this principle also reveals the intrinsic link between Nature and different objects in human society and principles complied by all.

Statistics of Infima and Stopping Times of Entropy Production and Applications to Active Molecular Processes

NASA Astrophysics Data System (ADS)

Neri, Izaak; Roldán, Édgar; Jülicher, Frank

2017-01-01

We study the statistics of infima, stopping times, and passage probabilities of entropy production in nonequilibrium steady states, and we show that they are universal. We consider two examples of stopping times: first-passage times of entropy production and waiting times of stochastic processes, which are the times when a system reaches a given state for the first time. Our main results are as follows: (i) The distribution of the global infimum of entropy production is exponential with mean equal to minus Boltzmann's constant; (ii) we find exact expressions for the passage probabilities of entropy production; (iii) we derive a fluctuation theorem for stopping-time distributions of entropy production. These results have interesting implications for stochastic processes that can be discussed in simple colloidal systems and in active molecular processes. In particular, we show that the timing and statistics of discrete chemical transitions of molecular processes, such as the steps of molecular motors, are governed by the statistics of entropy production. We also show that the extreme-value statistics of active molecular processes are governed by entropy production; for example, we derive a relation between the maximal excursion of a molecular motor against the direction of an external force and the infimum of the corresponding entropy-production fluctuations. Using this relation, we make predictions for the distribution of the maximum backtrack depth of RNA polymerases, which follow from our universal results for entropy-production infima.

Study on corrosion resistance of high - entropy alloy in medium acid liquid and chemical properties

NASA Astrophysics Data System (ADS)

Florea, I.; Buluc, G.; Florea, R. M.; Soare, V.; Carcea, I.

2015-11-01

High-entropy alloy is a new alloy which is different from traditional alloys. The high entropy alloys were started in Tsing Hua University of Taiwan since 1995 by Yeh et al. Consisting of a variety of elements, each element occupying a similar compared with other alloy elements to form a high entropy. We could define high entropy alloys as having approximately equal concentrations, made up of a group of 5 to 11 major elements. In general, the content of each element is not more than 35% by weight of the alloy. During the investigation it turned out that this alloy has a high hardness and is also corrosion proof and also strength and good thermal stability. In the experimental area, scientists used different tools, including traditional casting, mechanical alloying, sputtering, splat-quenching to obtain the high entropy alloys with different alloying elements and then to investigate the corresponding microstructures and mechanical, chemical, thermal, and electronic performances. The present study is aimed to investigate the corrosion resistance in a different medium acid and try to put in evidence the mechanical properties. Forasmuch of the wide composition range and the enormous number of alloy systems in high entropy alloys, the mechanical properties of high entropy alloys can vary significantly. In terms of hardness, the most critical factors are: hardness/strength of each composing phase in the alloy, distribution of the composing phases. The corrosion resistance of an high entropy alloy was made in acid liquid such as 10%HNO3-3%HF, 10%H2SO4, 5%HCl and then was investigated, respectively with weight loss experiment. Weight loss test was carried out by put the samples into the acid solution for corrosion. The solution was maintained at a constant room temperature. The liquid formulations used for tests were 3% hydrofluoric acid with 10% nitric acid, 10% sulphuric acid, 5% hydrochloric acid. Weight loss of the samples was measured by electronic scale.

Conserved charges of minimal massive gravity coupled to scalar field

NASA Astrophysics Data System (ADS)

Setare, M. R.; Adami, H.

2018-02-01

Recently, the theory of topologically massive gravity non-minimally coupled to a scalar field has been proposed, which comes from the Lorentz-Chern-Simons theory (JHEP 06, 113, 2015), a torsion-free theory. We extend this theory by adding an extra term which makes the torsion to be non-zero. We show that the BTZ spacetime is a particular solution to this theory in the case where the scalar field is constant. The quasi-local conserved charge is defined by the concept of the generalized off-shell ADT current. Also a general formula is found for the entropy of the stationary black hole solution in context of the considered theory. The obtained formulas are applied to the BTZ black hole solution in order to obtain the energy, the angular momentum and the entropy of this solution. The central extension term, the central charges and the eigenvalues of the Virasoro algebra generators for the BTZ black hole solution are thus obtained. The energy and the angular momentum of the BTZ black hole using the eigenvalues of the Virasoro algebra generators are calculated. Also, using the Cardy formula, the entropy of the BTZ black hole is found. It is found that the results obtained in two different ways exactly match, just as expected.

Vanishing Viscosity Approach to the Compressible Euler Equations for Transonic Nozzle and Spherically Symmetric Flows

NASA Astrophysics Data System (ADS)

Chen, Gui-Qiang G.; Schrecker, Matthew R. I.

2018-04-01

We are concerned with globally defined entropy solutions to the Euler equations for compressible fluid flows in transonic nozzles with general cross-sectional areas. Such nozzles include the de Laval nozzles and other more general nozzles whose cross-sectional area functions are allowed at the nozzle ends to be either zero (closed ends) or infinity (unbounded ends). To achieve this, in this paper, we develop a vanishing viscosity method to construct globally defined approximate solutions and then establish essential uniform estimates in weighted L p norms for the whole range of physical adiabatic exponents γ\\in (1, ∞) , so that the viscosity approximate solutions satisfy the general L p compensated compactness framework. The viscosity method is designed to incorporate artificial viscosity terms with the natural Dirichlet boundary conditions to ensure the uniform estimates. Then such estimates lead to both the convergence of the approximate solutions and the existence theory of globally defined finite-energy entropy solutions to the Euler equations for transonic flows that may have different end-states in the class of nozzles with general cross-sectional areas for all γ\\in (1, ∞) . The approach and techniques developed here apply to other problems with similar difficulties. In particular, we successfully apply them to construct globally defined spherically symmetric entropy solutions to the Euler equations for all γ\\in (1, ∞).

Thermal modulation voltammetry with laser heating at an aqueous|nitrobenzene solution microinterface: determination of the standard entropy changes of transfer for tetraalkylammonium ions.

PubMed

Hinoue, Teruo; Ikeda, Eiji; Watariguchi, Shigeru; Kibune, Yasuyuki

2007-01-01

Thermal modulation voltammetry (TMV) with laser heating was successfully performed at an aqueous|nitrobenzene (NB) solution microinterface, by taking advantage of the fact that laser light with a wavelength of 325.0 nm is optically transparent to the aqueous solution but opaque to the NB solution. When the laser beam impinges upon the interface from the aqueous solution side, a temperature is raised around the interface through the thermal diffusion subsequent to the light-to-heat conversion following the optical absorption by the NB solution near the interface. Based on such a principle, we achieved a fluctuating temperature perturbation around the interface for TMV by periodically irradiating the interface with the laser beam. On the other hand, the fluctuating temperature perturbation has influence on currents for transfer of an ion across the interface to produce fluctuating currents synchronized with the perturbation through temperature coefficients of several variables concerning the transfer, such as the standard transfer potential and the diffusion coefficient of the ion. Consequently, TMV has the possibility of providing information about the standard entropy change of transfer corresponding to a temperature coefficient of the standard transfer potential and a temperature coefficient of the diffusion coefficient. In this work, the aqueous|NB solution interface of 30 microm in diameter was irradiated with the laser beam at 10 Hz, and the currents synchronized with the periodical irradiation were recorded as a function of the potential difference across the interface in order to construct a TM voltammogram. TM voltammograms were measured for transfer of tetramethylammonium, tetraethylammonium, tetrapropylammonium, and tetra-n-butylammonium ions from the aqueous solution to the NB solution, and the standard entropy change of transfer was determined for each ion, according to an analytical procedure based on a mathematical expression of the TM voltammogram. Comparison of the values obtained in this work with the literature values has proved that TMV with laser heating is available for the determination of the standard entropy change of transfer for an ion.

Entropy solutions for a nonlinear parabolic problems with lower order term in Orlicz spaces

NASA Astrophysics Data System (ADS)

Mabdaoui, M.; Moussa, H.; Rhoudaf, M.

2017-03-01

We shall give the proof of existence results for the entropy solutions of the following nonlinear parabolic problem ... where A is a Leray-Lions operator having a growth not necessarily of polynomial type. The lower order term Φ :Ω × (0,T)× R→ R^N is a Carathéodory function, for a.e. (x,t)in Q_T and for all sin R, satisfying only a growth condition and the right hand side f belongs to L^1(Q_T).

Use and validity of principles of extremum of entropy production in the study of complex systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heitor Reis, A., E-mail: ahr@uevora.pt

2014-07-15

It is shown how both the principles of extremum of entropy production, which are often used in the study of complex systems, follow from the maximization of overall system conductivities, under appropriate constraints. In this way, the maximum rate of entropy production (MEP) occurs when all the forces in the system are kept constant. On the other hand, the minimum rate of entropy production (mEP) occurs when all the currents that cross the system are kept constant. A brief discussion on the validity of the application of the mEP and MEP principles in several cases, and in particular to themore » Earth’s climate is also presented. -- Highlights: •The principles of extremum of entropy production are not first principles. •They result from the maximization of conductivities under appropriate constraints. •The conditions of their validity are set explicitly. •Some long-standing controversies are discussed and clarified.« less

Simultaneous Multi-Scale Diffusion Estimation and Tractography Guided by Entropy Spectrum Pathways

PubMed Central

Galinsky, Vitaly L.; Frank, Lawrence R.

2015-01-01

We have developed a method for the simultaneous estimation of local diffusion and the global fiber tracts based upon the information entropy flow that computes the maximum entropy trajectories between locations and depends upon the global structure of the multi-dimensional and multi-modal diffusion field. Computation of the entropy spectrum pathways requires only solving a simple eigenvector problem for the probability distribution for which efficient numerical routines exist, and a straight forward integration of the probability conservation through ray tracing of the convective modes guided by a global structure of the entropy spectrum coupled with a small scale local diffusion. The intervoxel diffusion is sampled by multi b-shell multi q-angle DWI data expanded in spherical waves. This novel approach to fiber tracking incorporates global information about multiple fiber crossings in every individual voxel and ranks it in the most scientifically rigorous way. This method has potential significance for a wide range of applications, including studies of brain connectivity. PMID:25532167

A model for Entropy Production, Entropy Decrease and Action Minimization in Self-Organization

NASA Astrophysics Data System (ADS)

Georgiev, Georgi; Chatterjee, Atanu; Vu, Thanh; Iannacchione, Germano

In self-organization energy gradients across complex systems lead to change in the structure of systems, decreasing their internal entropy to ensure the most efficient energy transport and therefore maximum entropy production in the surroundings. This approach stems from fundamental variational principles in physics, such as the principle of least action. It is coupled to the total energy flowing through a system, which leads to increase the action efficiency. We compare energy transport through a fluid cell which has random motion of its molecules, and a cell which can form convection cells. We examine the signs of change of entropy, and the action needed for the motion inside those systems. The system in which convective motion occurs, reduces the time for energy transmission, compared to random motion. For more complex systems, those convection cells form a network of transport channels, for the purpose of obeying the equations of motion in this geometry. Those transport networks are an essential feature of complex systems in biology, ecology, economy and society.

Modelling the spreading rate of controlled communicable epidemics through an entropy-based thermodynamic model

NASA Astrophysics Data System (ADS)

Wang, WenBin; Wu, ZiNiu; Wang, ChunFeng; Hu, RuiFeng

2013-11-01

A model based on a thermodynamic approach is proposed for predicting the dynamics of communicable epidemics assumed to be governed by controlling efforts of multiple scales so that an entropy is associated with the system. All the epidemic details are factored into a single and time-dependent coefficient, the functional form of this coefficient is found through four constraints, including notably the existence of an inflexion point and a maximum. The model is solved to give a log-normal distribution for the spread rate, for which a Shannon entropy can be defined. The only parameter, that characterizes the width of the distribution function, is uniquely determined through maximizing the rate of entropy production. This entropy-based thermodynamic (EBT) model predicts the number of hospitalized cases with a reasonable accuracy for SARS in the year 2003. This EBT model can be of use for potential epidemics such as avian influenza and H7N9 in China.

Entropic criterion for model selection

NASA Astrophysics Data System (ADS)

Tseng, Chih-Yuan

2006-10-01

Model or variable selection is usually achieved through ranking models according to the increasing order of preference. One of methods is applying Kullback-Leibler distance or relative entropy as a selection criterion. Yet that will raise two questions, why use this criterion and are there any other criteria. Besides, conventional approaches require a reference prior, which is usually difficult to get. Following the logic of inductive inference proposed by Caticha [Relative entropy and inductive inference, in: G. Erickson, Y. Zhai (Eds.), Bayesian Inference and Maximum Entropy Methods in Science and Engineering, AIP Conference Proceedings, vol. 707, 2004 (available from arXiv.org/abs/physics/0311093)], we show relative entropy to be a unique criterion, which requires no prior information and can be applied to different fields. We examine this criterion by considering a physical problem, simple fluids, and results are promising.

Steepest entropy ascent quantum thermodynamic model of electron and phonon transport

NASA Astrophysics Data System (ADS)

Li, Guanchen; von Spakovsky, Michael R.; Hin, Celine

2018-01-01

An advanced nonequilibrium thermodynamic model for electron and phonon transport is formulated based on the steepest-entropy-ascent quantum thermodynamics framework. This framework, based on the principle of steepest entropy ascent (or the equivalent maximum entropy production principle), inherently satisfies the laws of thermodynamics and mechanics and is applicable at all temporal and spatial scales even in the far-from-equilibrium realm. Specifically, the model is proven to recover the Boltzmann transport equations in the near-equilibrium limit and the two-temperature model of electron-phonon coupling when no dispersion is assumed. The heat and mass transport at a temperature discontinuity across a homogeneous interface where the dispersion and coupling of electron and phonon transport are both considered are then modeled. Local nonequilibrium system evolution and nonquasiequilibrium interactions are predicted and the results discussed.

Elastic moduli and thermal expansion coefficients of medium-entropy subsystems of the CrMnFeCoNi high-entropy alloy

DOE PAGES

Laplanche, Guillaume; Gadaud, P.; Barsch, C.; ...

2018-02-23

Elastic moduli of a set of equiatomic alloys (CrFeCoNi, CrCoNi, CrFeNi, FeCoNi, MnCoNi, MnFeNi, and CoNi), which are medium-entropy subsystems of the CrMnFeCoNi high-entropy alloy were determined as a function of temperature over the range 293 K–1000 K. Thermal expansion coefficients were determined for these alloys over the temperature range 100 K–673 K. All alloys were single-phase and had the face-centered cubic (FCC) crystal structure, except CrFeNi which is a two-phase alloy containing a small amount of body-centered cubic (BCC) precipitates in a FCC matrix. The temperature dependences of thermal expansion coefficients and elastic moduli obtained here are useful formore » quantifying fundamental aspects such as solid solution strengthening, and for structural analysis/design. Furthermore, using the above results, the yield strengths reported in literature for these alloys were normalized by their shear moduli to reveal the influence of shear modulus on solid solution strengthening.« less

Conserved actions, maximum entropy and dark matter haloes

NASA Astrophysics Data System (ADS)

Pontzen, Andrew; Governato, Fabio

2013-03-01

We use maximum entropy arguments to derive the phase-space distribution of a virialized dark matter halo. Our distribution function gives an improved representation of the end product of violent relaxation. This is achieved by incorporating physically motivated dynamical constraints (specifically on orbital actions) which prevent arbitrary redistribution of energy. We compare the predictions with three high-resolution dark matter simulations of widely varying mass. The numerical distribution function is accurately predicted by our argument, producing an excellent match for the vast majority of particles. The remaining particles constitute the central cusp of the halo (≲4 per cent of the dark matter). They can be accounted for within the presented framework once the short dynamical time-scales of the centre are taken into account.

Optimal protocol for maximum work extraction in a feedback process with a time-varying potential

NASA Astrophysics Data System (ADS)

Kwon, Chulan

2017-12-01

The nonequilibrium nature of information thermodynamics is characterized by the inequality or non-negativity of the total entropy change of the system, memory, and reservoir. Mutual information change plays a crucial role in the inequality, in particular if work is extracted and the paradox of Maxwell's demon is raised. We consider the Brownian information engine where the protocol set of the harmonic potential is initially chosen by the measurement and varies in time. We confirm the inequality of the total entropy change by calculating, in detail, the entropic terms including the mutual information change. We rigorously find the optimal values of the time-dependent protocol for maximum extraction of work both for the finite-time and the quasi-static process.

Numerical optimization using flow equations.

PubMed

Punk, Matthias

2014-12-01

We develop a method for multidimensional optimization using flow equations. This method is based on homotopy continuation in combination with a maximum entropy approach. Extrema of the optimizing functional correspond to fixed points of the flow equation. While ideas based on Bayesian inference such as the maximum entropy method always depend on a prior probability, the additional step in our approach is to perform a continuous update of the prior during the homotopy flow. The prior probability thus enters the flow equation only as an initial condition. We demonstrate the applicability of this optimization method for two paradigmatic problems in theoretical condensed matter physics: numerical analytic continuation from imaginary to real frequencies and finding (variational) ground states of frustrated (quantum) Ising models with random or long-range antiferromagnetic interactions.

Numerical optimization using flow equations

NASA Astrophysics Data System (ADS)

Punk, Matthias

2014-12-01

We develop a method for multidimensional optimization using flow equations. This method is based on homotopy continuation in combination with a maximum entropy approach. Extrema of the optimizing functional correspond to fixed points of the flow equation. While ideas based on Bayesian inference such as the maximum entropy method always depend on a prior probability, the additional step in our approach is to perform a continuous update of the prior during the homotopy flow. The prior probability thus enters the flow equation only as an initial condition. We demonstrate the applicability of this optimization method for two paradigmatic problems in theoretical condensed matter physics: numerical analytic continuation from imaginary to real frequencies and finding (variational) ground states of frustrated (quantum) Ising models with random or long-range antiferromagnetic interactions.

LIBOR troubles: Anomalous movements detection based on maximum entropy

NASA Astrophysics Data System (ADS)

Bariviera, Aurelio F.; Martín, María T.; Plastino, Angelo; Vampa, Victoria

2016-05-01

According to the definition of the London Interbank Offered Rate (LIBOR), contributing banks should give fair estimates of their own borrowing costs in the interbank market. Between 2007 and 2009, several banks made inappropriate submissions of LIBOR, sometimes motivated by profit-seeking from their trading positions. In 2012, several newspapers' articles began to cast doubt on LIBOR integrity, leading surveillance authorities to conduct investigations on banks' behavior. Such procedures resulted in severe fines imposed to involved banks, who recognized their financial inappropriate conduct. In this paper, we uncover such unfair behavior by using a forecasting method based on the Maximum Entropy principle. Our results are robust against changes in parameter settings and could be of great help for market surveillance.

Maximum entropy modeling of metabolic networks by constraining growth-rate moments predicts coexistence of phenotypes

NASA Astrophysics Data System (ADS)

De Martino, Daniele

2017-12-01

In this work maximum entropy distributions in the space of steady states of metabolic networks are considered upon constraining the first and second moments of the growth rate. Coexistence of fast and slow phenotypes, with bimodal flux distributions, emerges upon considering control on the average growth (optimization) and its fluctuations (heterogeneity). This is applied to the carbon catabolic core of Escherichia coli where it quantifies the metabolic activity of slow growing phenotypes and it provides a quantitative map with metabolic fluxes, opening the possibility to detect coexistence from flux data. A preliminary analysis on data for E. coli cultures in standard conditions shows degeneracy for the inferred parameters that extend in the coexistence region.

An understanding of human dynamics in urban subway traffic from the Maximum Entropy Principle

NASA Astrophysics Data System (ADS)

Yong, Nuo; Ni, Shunjiang; Shen, Shifei; Ji, Xuewei

2016-08-01

We studied the distribution of entry time interval in Beijing subway traffic by analyzing the smart card transaction data, and then deduced the probability distribution function of entry time interval based on the Maximum Entropy Principle. Both theoretical derivation and data statistics indicated that the entry time interval obeys power-law distribution with an exponential cutoff. In addition, we pointed out the constraint conditions for the distribution form and discussed how the constraints affect the distribution function. It is speculated that for bursts and heavy tails in human dynamics, when the fitted power exponent is less than 1.0, it cannot be a pure power-law distribution, but with an exponential cutoff, which may be ignored in the previous studies.

Algorithms for optimized maximum entropy and diagnostic tools for analytic continuation.

PubMed

Bergeron, Dominic; Tremblay, A-M S

2016-08-01

Analytic continuation of numerical data obtained in imaginary time or frequency has become an essential part of many branches of quantum computational physics. It is, however, an ill-conditioned procedure and thus a hard numerical problem. The maximum-entropy approach, based on Bayesian inference, is the most widely used method to tackle that problem. Although the approach is well established and among the most reliable and efficient ones, useful developments of the method and of its implementation are still possible. In addition, while a few free software implementations are available, a well-documented, optimized, general purpose, and user-friendly software dedicated to that specific task is still lacking. Here we analyze all aspects of the implementation that are critical for accuracy and speed and present a highly optimized approach to maximum entropy. Original algorithmic and conceptual contributions include (1) numerical approximations that yield a computational complexity that is almost independent of temperature and spectrum shape (including sharp Drude peaks in broad background, for example) while ensuring quantitative accuracy of the result whenever precision of the data is sufficient, (2) a robust method of choosing the entropy weight α that follows from a simple consistency condition of the approach and the observation that information- and noise-fitting regimes can be identified clearly from the behavior of χ^{2} with respect to α, and (3) several diagnostics to assess the reliability of the result. Benchmarks with test spectral functions of different complexity and an example with an actual physical simulation are presented. Our implementation, which covers most typical cases for fermions, bosons, and response functions, is available as an open source, user-friendly software.

Algorithms for optimized maximum entropy and diagnostic tools for analytic continuation

NASA Astrophysics Data System (ADS)

Bergeron, Dominic; Tremblay, A.-M. S.

2016-08-01

Analytic continuation of numerical data obtained in imaginary time or frequency has become an essential part of many branches of quantum computational physics. It is, however, an ill-conditioned procedure and thus a hard numerical problem. The maximum-entropy approach, based on Bayesian inference, is the most widely used method to tackle that problem. Although the approach is well established and among the most reliable and efficient ones, useful developments of the method and of its implementation are still possible. In addition, while a few free software implementations are available, a well-documented, optimized, general purpose, and user-friendly software dedicated to that specific task is still lacking. Here we analyze all aspects of the implementation that are critical for accuracy and speed and present a highly optimized approach to maximum entropy. Original algorithmic and conceptual contributions include (1) numerical approximations that yield a computational complexity that is almost independent of temperature and spectrum shape (including sharp Drude peaks in broad background, for example) while ensuring quantitative accuracy of the result whenever precision of the data is sufficient, (2) a robust method of choosing the entropy weight α that follows from a simple consistency condition of the approach and the observation that information- and noise-fitting regimes can be identified clearly from the behavior of χ2 with respect to α , and (3) several diagnostics to assess the reliability of the result. Benchmarks with test spectral functions of different complexity and an example with an actual physical simulation are presented. Our implementation, which covers most typical cases for fermions, bosons, and response functions, is available as an open source, user-friendly software.

A subjective supply-demand model: the maximum Boltzmann/Shannon entropy solution

NASA Astrophysics Data System (ADS)

Piotrowski, Edward W.; Sładkowski, Jan

2009-03-01

The present authors have put forward a projective geometry model of rational trading. The expected (mean) value of the time that is necessary to strike a deal and the profit strongly depend on the strategies adopted. A frequent trader often prefers maximal profit intensity to the maximization of profit resulting from a separate transaction because the gross profit/income is the adopted/recommended benchmark. To investigate activities that have different periods of duration we define, following the queuing theory, the profit intensity as a measure of this economic category. The profit intensity in repeated trading has a unique property of attaining its maximum at a fixed point regardless of the shape of demand curves for a wide class of probability distributions of random reverse transactions (i.e. closing of the position). These conclusions remain valid for an analogous model based on supply analysis. This type of market game is often considered in research aiming at finding an algorithm that maximizes profit of a trader who negotiates prices with the Rest of the World (a collective opponent), possessing a definite and objective supply profile. Such idealization neglects the sometimes important influence of an individual trader on the demand/supply profile of the Rest of the World and in extreme cases questions the very idea of demand/supply profile. Therefore we put forward a trading model in which the demand/supply profile of the Rest of the World induces the (rational) trader to (subjectively) presume that he/she lacks (almost) all knowledge concerning the market but his/her average frequency of trade. This point of view introduces maximum entropy principles into the model and broadens the range of economic phenomena that can be perceived as a sort of thermodynamical system. As a consequence, the profit intensity has a fixed point with an astonishing connection with Fibonacci classical works and looking for the quickest algorithm for obtaining the extremum of a convex function: the profit intensity reaches its maximum when the probability of transaction is given by the golden ratio rule (\\sqrt {5}-1)/{2} . This condition sets a sharp criterion of validity of the model and can be tested with real market data.

A study of the orthogonal polynomials associated with the quantum harmonic oscillator on constant curvature spaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vignat, C.; Lamberti, P. W.

2009-10-15

Recently, Carinena, et al. [Ann. Phys. 322, 434 (2007)] introduced a new family of orthogonal polynomials that appear in the wave functions of the quantum harmonic oscillator in two-dimensional constant curvature spaces. They are a generalization of the Hermite polynomials and will be called curved Hermite polynomials in the following. We show that these polynomials are naturally related to the relativistic Hermite polynomials introduced by Aldaya et al. [Phys. Lett. A 156, 381 (1991)], and thus are Jacobi polynomials. Moreover, we exhibit a natural bijection between the solutions of the quantum harmonic oscillator on negative curvature spaces and on positivemore » curvature spaces. At last, we show a maximum entropy property for the ground states of these oscillators.« less

A kinetic equation with kinetic entropy functions for scalar conservation laws

NASA Technical Reports Server (NTRS)

Perthame, Benoit; Tadmor, Eitan

1990-01-01

A nonlinear kinetic equation is constructed and proved to be well-adapted to describe general multidimensional scalar conservation laws. In particular, it is proved to be well-posed uniformly in epsilon - the microscopic scale. It is also shown that the proposed kinetic equation is equipped with a family of kinetic entropy functions - analogous to Boltzmann's microscopic H-function, such that they recover Krushkov-type entropy inequality on the macroscopic scale. Finally, it is proved by both - BV compactness arguments in the one-dimensional case, that the local density of kinetic particles admits a continuum limit, as it converges strongly with epsilon below 0 to the unique entropy solution of the corresponding conservation law.

Hydration entropy change from the hard sphere model.

PubMed

Graziano, Giuseppe; Lee, Byungkook

2002-12-10

The gas to liquid transfer entropy change for a pure non-polar liquid can be calculated quite accurately using a hard sphere model that obeys the Carnahan-Starling equation of state. The same procedure fails to produce a reasonable value for hydrogen bonding liquids such as water, methanol and ethanol. However, the size of the molecules increases when the hydrogen bonds are turned off to produce the hard sphere system and the volume packing density rises. We show here that the hard sphere system that has this increased packing density reproduces the experimental transfer entropy values rather well. The gas to water transfer entropy values for small non-polar hydrocarbons is also not reproduced by a hard sphere model, whether one uses the normal (2.8 A diameter) or the increased (3.2 A) size for water. At least part of the reason that the hard sphere model with 2.8 A size water produces too small entropy change is that the size of water is too small for a system without hydrogen bonds. The reason that the 3.2 A model also produces too small entropy values is that this is an overly crowded system and that the free volume introduced in the system by the addition of a solute molecule produces too much of a relief to this crowding. A hard sphere model, in which the free volume increase is limited by requiring that the average surface-to-surface distance between the solute and water molecules is the same as that between the increased-size water molecules, does approximately reproduce the experimental hydration entropy values. Copyright 2002 Elsevier Science B.V.

Convex foundations for generalized MaxEnt models

NASA Astrophysics Data System (ADS)

Frongillo, Rafael; Reid, Mark D.

2014-12-01

We present an approach to maximum entropy models that highlights the convex geometry and duality of generalized exponential families (GEFs) and their connection to Bregman divergences. Using our framework, we are able to resolve a puzzling aspect of the bijection of Banerjee and coauthors between classical exponential families and what they call regular Bregman divergences. Their regularity condition rules out all but Bregman divergences generated from log-convex generators. We recover their bijection and show that a much broader class of divergences correspond to GEFs via two key observations: 1) Like classical exponential families, GEFs have a "cumulant" C whose subdifferential contains the mean: Eo˜pθ[φ(o)]∈∂C(θ) ; 2) Generalized relative entropy is a C-Bregman divergence between parameters: DF(pθ,pθ')= D C(θ,θ') , where DF becomes the KL divergence for F = -H. We also show that every incomplete market with cost function C can be expressed as a complete market, where the prices are constrained to be a GEF with cumulant C. This provides an entirely new interpretation of prediction markets, relating their design back to the principle of maximum entropy.

Mechanical properties, microstructure and thermal stability of a nanocrystalline CoCrFeMnNi high-entropy alloy after severe plastic deformation

DOE PAGES

Schuh, B.; Mendez-Martin, F.; Völker, B.; ...

2015-06-24

An equiatomic CoCrFeMnNi high-entropy alloy (HEA), produced by arc melting and drop casting, was subjected to severe plastic deformation (SPD) using high-pressure torsion. This process induced substantial grain refinement in the coarse-grained casting leading to a grain size of approximately 50 nm. As a result, strength increased significantly to 1950 MPa, and hardness to similar to 520 MV. Analyses using transmission electron microscopy (TEM) and 3-dimensional atom probe tomography (3D-APT) showed that, after SPD, the alloy remained a true single-phase solid solution down to the atomic scale. Subsequent investigations characterized the evolution of mechanical properties and microstructure of this nanocrystallinemore » HEA upon annealing. Isochronal (for 1 h) and isothermal heat treatments were performed followed by microhardness and tensile tests. The isochronal anneals led to a marked hardness increase with a maximum hardness of similar to 630 HV at about 450 degrees C before softening set in at higher temperatures. The isothermal anneals, performed at this peak hardness temperature, revealed an additional hardness rise to a maximum of about 910 MV after 100 h. To clarify this unexpected annealing response, comprehensive microstructural analyses were performed using TEM and 3D-APT. New nano-scale phases were observed to form in the originally single-phase HEA. After times as short as 5 min at 450 degrees C, a NiMn phase and Cr-rich phase formed. With increasing annealing time, their volume fractions increased and a third phase, FeCo, also formed. It appears that the surfeit of grain boundaries in the nanocrystalline HEA offer many fast diffusion pathways and nucleation sites to facilitate this phase decomposition. The hardness increase, especially for the longer annealing times, can be attributed to these nano-scaled phases embedded in the HEA matrix. The present results give new valuable insights into the phase stability of single-phase high-entropy alloys as well as the mechanisms controlling the mechanical properties of nanostructured multiphase composites. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd.« less

Thermodynamics of concentrated solid solution alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Michael C.; Zhang, C.; Gao, P.

This study reviews the three main approaches for predicting the formation of concentrated solid solution alloys (CSSA) and for modeling their thermodynamic properties, in particular, utilizing the methodologies of empirical thermo-physical parameters, CALPHAD method, and first-principles calculations combined with hybrid Monte Carlo/Molecular Dynamics (MC/MD) simulations. In order to speed up CSSA development, a variety of empirical parameters based on Hume-Rothery rules have been developed. Herein, these parameters have been systematically and critically evaluated for their efficiency in predicting solid solution formation. The phase stability of representative CSSA systems is then illustrated from the perspectives of phase diagrams and nucleation drivingmore » force plots of the σ phase using CALPHAD method. The temperature-dependent total entropies of the FCC, BCC, HCP, and σ phases in equimolar compositions of various systems are presented next, followed by the thermodynamic properties of mixing of the BCC phase in Al-containing and Ti-containing refractory metal systems. First-principles calculations on model FCC, BCC and HCP CSSA reveal the presence of both positive and negative vibrational entropies of mixing, while the calculated electronic entropies of mixing are negligible. Temperature dependent configurational entropy is determined from the atomic structures obtained from MC/MD simulations. Current status and challenges in using these methodologies as they pertain to thermodynamic property analysis and CSSA design are discussed.« less

Thermodynamics of concentrated solid solution alloys

DOE PAGES

Gao, Michael C.; Zhang, C.; Gao, P.; ...

2017-10-12

This study reviews the three main approaches for predicting the formation of concentrated solid solution alloys (CSSA) and for modeling their thermodynamic properties, in particular, utilizing the methodologies of empirical thermo-physical parameters, CALPHAD method, and first-principles calculations combined with hybrid Monte Carlo/Molecular Dynamics (MC/MD) simulations. In order to speed up CSSA development, a variety of empirical parameters based on Hume-Rothery rules have been developed. Herein, these parameters have been systematically and critically evaluated for their efficiency in predicting solid solution formation. The phase stability of representative CSSA systems is then illustrated from the perspectives of phase diagrams and nucleation drivingmore » force plots of the σ phase using CALPHAD method. The temperature-dependent total entropies of the FCC, BCC, HCP, and σ phases in equimolar compositions of various systems are presented next, followed by the thermodynamic properties of mixing of the BCC phase in Al-containing and Ti-containing refractory metal systems. First-principles calculations on model FCC, BCC and HCP CSSA reveal the presence of both positive and negative vibrational entropies of mixing, while the calculated electronic entropies of mixing are negligible. Temperature dependent configurational entropy is determined from the atomic structures obtained from MC/MD simulations. Current status and challenges in using these methodologies as they pertain to thermodynamic property analysis and CSSA design are discussed.« less

Comparison of image deconvolution algorithms on simulated and laboratory infrared images

DOE Office of Scientific and Technical Information (OSTI.GOV)

Proctor, D.

1994-11-15

We compare Maximum Likelihood, Maximum Entropy, Accelerated Lucy-Richardson, Weighted Goodness of Fit, and Pixon reconstructions of simple scenes as a function of signal-to-noise ratio for simulated images with randomly generated noise. Reconstruction results of infrared images taken with the TAISIR (Temperature and Imaging System InfraRed) are also discussed.

Entropy from State Probabilities: Hydration Entropy of Cations

PubMed Central

2013-01-01

Entropy is an important energetic quantity determining the progression of chemical processes. We propose a new approach to obtain hydration entropy directly from probability density functions in state space. We demonstrate the validity of our approach for a series of cations in aqueous solution. Extensive validation of simulation results was performed. Our approach does not make prior assumptions about the shape of the potential energy landscape and is capable of calculating accurate hydration entropy values. Sampling times in the low nanosecond range are sufficient for the investigated ionic systems. Although the presented strategy is at the moment limited to systems for which a scalar order parameter can be derived, this is not a principal limitation of the method. The strategy presented is applicable to any chemical system where sufficient sampling of conformational space is accessible, for example, by computer simulations. PMID:23651109

[Quantitative assessment of urban ecosystem services flow based on entropy theory: A case study of Beijing, China].

PubMed

Li, Jing Xin; Yang, Li; Yang, Lei; Zhang, Chao; Huo, Zhao Min; Chen, Min Hao; Luan, Xiao Feng

2018-03-01

Quantitative evaluation of ecosystem service is a primary premise for rational resources exploitation and sustainable development. Examining ecosystem services flow provides a scientific method to quantity ecosystem services. We built an assessment indicator system based on land cover/land use under the framework of four types of ecosystem services. The types of ecosystem services flow were reclassified. Using entropy theory, disorder degree and developing trend of indicators and urban ecosystem were quantitatively assessed. Beijing was chosen as the study area, and twenty-four indicators were selected for evaluation. The results showed that the entropy value of Beijing urban ecosystem during 2004 to 2015 was 0.794 and the entropy flow was -0.024, suggesting a large disordered degree and near verge of non-health. The system got maximum values for three times, while the mean annual variation of the system entropy value increased gradually in three periods, indicating that human activities had negative effects on urban ecosystem. Entropy flow reached minimum value in 2007, implying the environmental quality was the best in 2007. The determination coefficient for the fitting function of total permanent population in Beijing and urban ecosystem entropy flow was 0.921, indicating that urban ecosystem health was highly correlated with total permanent population.

A Theoretical Basis for Entropy-Scaling Effects in Human Mobility Patterns.

PubMed

Osgood, Nathaniel D; Paul, Tuhin; Stanley, Kevin G; Qian, Weicheng

2016-01-01

Characterizing how people move through space has been an important component of many disciplines. With the advent of automated data collection through GPS and other location sensing systems, researchers have the opportunity to examine human mobility at spatio-temporal resolution heretofore impossible. However, the copious and complex data collected through these logging systems can be difficult for humans to fully exploit, leading many researchers to propose novel metrics for encapsulating movement patterns in succinct and useful ways. A particularly salient proposed metric is the mobility entropy rate of the string representing the sequence of locations visited by an individual. However, mobility entropy rate is not scale invariant: entropy rate calculations based on measurements of the same trajectory at varying spatial or temporal granularity do not yield the same value, limiting the utility of mobility entropy rate as a metric by confounding inter-experimental comparisons. In this paper, we derive a scaling relationship for mobility entropy rate of non-repeating straight line paths from the definition of Lempel-Ziv compression. We show that the resulting formulation predicts the scaling behavior of simulated mobility traces, and provides an upper bound on mobility entropy rate under certain assumptions. We further show that this formulation has a maximum value for a particular sampling rate, implying that optimal sampling rates for particular movement patterns exist.

Research on Sustainable Development Level Evaluation of Resource-based Cities Based on Shapely Entropy and Chouqet Integral

NASA Astrophysics Data System (ADS)

Zhao, Hui; Qu, Weilu; Qiu, Weiting

2018-03-01

In order to evaluate sustainable development level of resource-based cities, an evaluation method with Shapely entropy and Choquet integral is proposed. First of all, a systematic index system is constructed, the importance of each attribute is calculated based on the maximum Shapely entropy principle, and then the Choquet integral is introduced to calculate the comprehensive evaluation value of each city from the bottom up, finally apply this method to 10 typical resource-based cities in China. The empirical results show that the evaluation method is scientific and reasonable, which provides theoretical support for the sustainable development path and reform direction of resource-based cities.

Measuring Questions: Relevance and its Relation to Entropy

NASA Technical Reports Server (NTRS)

Knuth, Kevin H.

2004-01-01

The Boolean lattice of logical statements induces the free distributive lattice of questions. Inclusion on this lattice is based on whether one question answers another. Generalizing the zeta function of the question lattice leads to a valuation called relevance or bearing, which is a measure of the degree to which one question answers another. Richard Cox conjectured that this degree can be expressed as a generalized entropy. With the assistance of yet another important result from Janos Acz6l, I show that this is indeed the case; and that the resulting inquiry calculus is a natural generalization of information theory. This approach provides a new perspective of the Principle of Maximum Entropy.

Entanglement entropy of electromagnetic edge modes.

PubMed

Donnelly, William; Wall, Aron C

2015-03-20

The vacuum entanglement entropy of Maxwell theory, when evaluated by standard methods, contains an unexpected term with no known statistical interpretation. We resolve this two-decades old puzzle by showing that this term is the entanglement entropy of edge modes: classical solutions determined by the electric field normal to the entangling surface. We explain how the heat kernel regularization applied to this term leads to the negative divergent expression found by Kabat. This calculation also resolves a recent puzzle concerning the logarithmic divergences of gauge fields in 3+1 dimensions.

Exact solutions for the entropy production rate of several irreversible processes.

PubMed

Ross, John; Vlad, Marcel O

2005-11-24

We investigate thermal conduction described by Newton's law of cooling and by Fourier's transport equation and chemical reactions based on mass action kinetics where we detail a simple example of a reaction mechanism with one intermediate. In these cases we derive exact expressions for the entropy production rate and its differential. We show that at a stationary state the entropy production rate is an extremum if and only if the stationary state is a state of thermodynamic equilibrium. These results are exact and independent of any expansions of the entropy production rate. In the case of thermal conduction we compare our exact approach with the conventional approach based on the expansion of the entropy production rate near equilibrium. If we expand the entropy production rate in a series and keep terms up to the third order in the deviation variables and then differentiate, we find out that the entropy production rate is not an extremum at a nonequilibrium steady state. If there is a strict proportionality between fluxes and forces, then the entropy production rate is an extremum at the stationary state even if the stationary state is far away from equilibrium.

Harvesting Entropy for Random Number Generation for Internet of Things Constrained Devices Using On-Board Sensors

PubMed Central

Pawlowski, Marcin Piotr; Jara, Antonio; Ogorzalek, Maciej

2015-01-01

Entropy in computer security is associated with the unpredictability of a source of randomness. The random source with high entropy tends to achieve a uniform distribution of random values. Random number generators are one of the most important building blocks of cryptosystems. In constrained devices of the Internet of Things ecosystem, high entropy random number generators are hard to achieve due to hardware limitations. For the purpose of the random number generation in constrained devices, this work proposes a solution based on the least-significant bits concatenation entropy harvesting method. As a potential source of entropy, on-board integrated sensors (i.e., temperature, humidity and two different light sensors) have been analyzed. Additionally, the costs (i.e., time and memory consumption) of the presented approach have been measured. The results obtained from the proposed method with statistical fine tuning achieved a Shannon entropy of around 7.9 bits per byte of data for temperature and humidity sensors. The results showed that sensor-based random number generators are a valuable source of entropy with very small RAM and Flash memory requirements for constrained devices of the Internet of Things. PMID:26506357

Harvesting entropy for random number generation for internet of things constrained devices using on-board sensors.

PubMed

Pawlowski, Marcin Piotr; Jara, Antonio; Ogorzalek, Maciej

2015-10-22

Entropy in computer security is associated with the unpredictability of a source of randomness. The random source with high entropy tends to achieve a uniform distribution of random values. Random number generators are one of the most important building blocks of cryptosystems. In constrained devices of the Internet of Things ecosystem, high entropy random number generators are hard to achieve due to hardware limitations. For the purpose of the random number generation in constrained devices, this work proposes a solution based on the least-significant bits concatenation entropy harvesting method. As a potential source of entropy, on-board integrated sensors (i.e., temperature, humidity and two different light sensors) have been analyzed. Additionally, the costs (i.e., time and memory consumption) of the presented approach have been measured. The results obtained from the proposed method with statistical fine tuning achieved a Shannon entropy of around 7.9 bits per byte of data for temperature and humidity sensors. The results showed that sensor-based random number generators are a valuable source of entropy with very small RAM and Flash memory requirements for constrained devices of the Internet of Things.

Minimal entropy probability paths between genome families.

PubMed

Ahlbrandt, Calvin; Benson, Gary; Casey, William

2004-05-01

We develop a metric for probability distributions with applications to biological sequence analysis. Our distance metric is obtained by minimizing a functional defined on the class of paths over probability measures on N categories. The underlying mathematical theory is connected to a constrained problem in the calculus of variations. The solution presented is a numerical solution, which approximates the true solution in a set of cases called rich paths where none of the components of the path is zero. The functional to be minimized is motivated by entropy considerations, reflecting the idea that nature might efficiently carry out mutations of genome sequences in such a way that the increase in entropy involved in transformation is as small as possible. We characterize sequences by frequency profiles or probability vectors, in the case of DNA where N is 4 and the components of the probability vector are the frequency of occurrence of each of the bases A, C, G and T. Given two probability vectors a and b, we define a distance function based as the infimum of path integrals of the entropy function H( p) over all admissible paths p(t), 0 < or = t< or =1, with p(t) a probability vector such that p(0)=a and p(1)=b. If the probability paths p(t) are parameterized as y(s) in terms of arc length s and the optimal path is smooth with arc length L, then smooth and "rich" optimal probability paths may be numerically estimated by a hybrid method of iterating Newton's method on solutions of a two point boundary value problem, with unknown distance L between the abscissas, for the Euler-Lagrange equations resulting from a multiplier rule for the constrained optimization problem together with linear regression to improve the arc length estimate L. Matlab code for these numerical methods is provided which works only for "rich" optimal probability vectors. These methods motivate a definition of an elementary distance function which is easier and faster to calculate, works on non-rich vectors, does not involve variational theory and does not involve differential equations, but is a better approximation of the minimal entropy path distance than the distance //b-a//(2). We compute minimal entropy distance matrices for examples of DNA myostatin genes and amino-acid sequences across several species. Output tree dendograms for our minimal entropy metric are compared with dendograms based on BLAST and BLAST identity scores.

Entropy Generation/Availability Energy Loss Analysis Inside MIT Gas Spring and "Two Space" Test Rigs

NASA Technical Reports Server (NTRS)

Ebiana, Asuquo B.; Savadekar, Rupesh T.; Patel, Kaushal V.

2006-01-01

The results of the entropy generation and availability energy loss analysis under conditions of oscillating pressure and oscillating helium gas flow in two Massachusetts Institute of Technology (MIT) test rigs piston-cylinder and piston-cylinder-heat exchanger are presented. Two solution domains, the gas spring (single-space) in the piston-cylinder test rig and the gas spring + heat exchanger (two-space) in the piston-cylinder-heat exchanger test rig are of interest. Sage and CFD-ACE+ commercial numerical codes are used to obtain 1-D and 2-D computer models, respectively, of each of the two solution domains and to simulate the oscillating gas flow and heat transfer effects in these domains. Second law analysis is used to characterize the entropy generation and availability energy losses inside the two solution domains. Internal and external entropy generation and availability energy loss results predicted by Sage and CFD-ACE+ are compared. Thermodynamic loss analysis of simple systems such as the MIT test rigs are often useful to understand some important features of complex pattern forming processes in more complex systems like the Stirling engine. This study is aimed at improving numerical codes for the prediction of thermodynamic losses via the development of a loss post-processor. The incorporation of loss post-processors in Stirling engine numerical codes will facilitate Stirling engine performance optimization. Loss analysis using entropy-generation rates due to heat and fluid flow is a relatively new technique for assessing component performance. It offers a deep insight into the flow phenomena, allows a more exact calculation of losses than is possible with traditional means involving the application of loss correlations and provides an effective tool for improving component and overall system performance.

Correlation as a Determinant of Configurational Entropy in Supramolecular and Protein Systems

PubMed Central

2015-01-01

For biomolecules in solution, changes in configurational entropy are thought to contribute substantially to the free energies of processes like binding and conformational change. In principle, the configurational entropy can be strongly affected by pairwise and higher-order correlations among conformational degrees of freedom. However, the literature offers mixed perspectives regarding the contributions that changes in correlations make to changes in configurational entropy for such processes. Here we take advantage of powerful techniques for simulation and entropy analysis to carry out rigorous in silico studies of correlation in binding and conformational changes. In particular, we apply information-theoretic expansions of the configurational entropy to well-sampled molecular dynamics simulations of a model host–guest system and the protein bovine pancreatic trypsin inhibitor. The results bear on the interpretation of NMR data, as they indicate that changes in correlation are important determinants of entropy changes for biologically relevant processes and that changes in correlation may either balance or reinforce changes in first-order entropy. The results also highlight the importance of main-chain torsions as contributors to changes in protein configurational entropy. As simulation techniques grow in power, the mathematical techniques used here will offer new opportunities to answer challenging questions about complex molecular systems. PMID:24702693

Estimation of depth to magnetic source using maximum entropy power spectra, with application to the Peru-Chile Trench

USGS Publications Warehouse

Blakely, Richard J.

1981-01-01

Estimations of the depth to magnetic sources using the power spectrum of magnetic anomalies generally require long magnetic profiles. The method developed here uses the maximum entropy power spectrum (MEPS) to calculate depth to source on short windows of magnetic data; resolution is thereby improved. The method operates by dividing a profile into overlapping windows, calculating a maximum entropy power spectrum for each window, linearizing the spectra, and calculating with least squares the various depth estimates. The assumptions of the method are that the source is two dimensional and that the intensity of magnetization includes random noise; knowledge of the direction of magnetization is not required. The method is applied to synthetic data and to observed marine anomalies over the Peru-Chile Trench. The analyses indicate a continuous magnetic basement extending from the eastern margin of the Nazca plate and into the subduction zone. The computed basement depths agree with acoustic basement seaward of the trench axis, but deepen as the plate approaches the inner trench wall. This apparent increase in the computed depths may result from the deterioration of magnetization in the upper part of the ocean crust, possibly caused by compressional disruption of the basaltic layer. Landward of the trench axis, the depth estimates indicate possible thrusting of the oceanic material into the lower slope of the continental margin.

Possible dynamical explanations for Paltridge's principle of maximum entropy production

DOE Office of Scientific and Technical Information (OSTI.GOV)

Virgo, Nathaniel, E-mail: nathanielvirgo@gmail.com; Ikegami, Takashi, E-mail: nathanielvirgo@gmail.com

2014-12-05

Throughout the history of non-equilibrium thermodynamics a number of theories have been proposed in which complex, far from equilibrium flow systems are hypothesised to reach a steady state that maximises some quantity. Perhaps the most celebrated is Paltridge's principle of maximum entropy production for the horizontal heat flux in Earth's atmosphere, for which there is some empirical support. There have been a number of attempts to derive such a principle from maximum entropy considerations. However, we currently lack a more mechanistic explanation of how any particular system might self-organise into a state that maximises some quantity. This is in contrastmore » to equilibrium thermodynamics, in which models such as the Ising model have been a great help in understanding the relationship between the predictions of MaxEnt and the dynamics of physical systems. In this paper we show that, unlike in the equilibrium case, Paltridge-type maximisation in non-equilibrium systems cannot be achieved by a simple dynamical feedback mechanism. Nevertheless, we propose several possible mechanisms by which maximisation could occur. Showing that these occur in any real system is a task for future work. The possibilities presented here may not be the only ones. We hope that by presenting them we can provoke further discussion about the possible dynamical mechanisms behind extremum principles for non-equilibrium systems, and their relationship to predictions obtained through MaxEnt.« less

Gravitational vacuum condensate stars.

PubMed

Mazur, Pawel O; Mottola, Emil

2004-06-29

A new final state of gravitational collapse is proposed. By extending the concept of Bose-Einstein condensation to gravitational systems, a cold, dark, compact object with an interior de Sitter condensate p(v) = -rho(v) and an exterior Schwarzschild geometry of arbitrary total mass M is constructed. These regions are separated by a shell with a small but finite proper thickness l of fluid with equation of state p = +rho, replacing both the Schwarzschild and de Sitter classical horizons. The new solution has no singularities, no event horizons, and a global time. Its entropy is maximized under small fluctuations and is given by the standard hydrodynamic entropy of the thin shell, which is of the order k(B)lMc/Planck's over 2 pi, instead of the Bekenstein-Hawking entropy formula, S(BH) = 4 pi k(B)GM(2)/Planck's over 2 pi c. Hence, unlike black holes, the new solution is thermodynamically stable and has no information paradox.

PET image reconstruction using multi-parametric anato-functional priors

NASA Astrophysics Data System (ADS)

Mehranian, Abolfazl; Belzunce, Martin A.; Niccolini, Flavia; Politis, Marios; Prieto, Claudia; Turkheimer, Federico; Hammers, Alexander; Reader, Andrew J.

2017-08-01

In this study, we investigate the application of multi-parametric anato-functional (MR-PET) priors for the maximum a posteriori (MAP) reconstruction of brain PET data in order to address the limitations of the conventional anatomical priors in the presence of PET-MR mismatches. In addition to partial volume correction benefits, the suitability of these priors for reconstruction of low-count PET data is also introduced and demonstrated, comparing to standard maximum-likelihood (ML) reconstruction of high-count data. The conventional local Tikhonov and total variation (TV) priors and current state-of-the-art anatomical priors including the Kaipio, non-local Tikhonov prior with Bowsher and Gaussian similarity kernels are investigated and presented in a unified framework. The Gaussian kernels are calculated using both voxel- and patch-based feature vectors. To cope with PET and MR mismatches, the Bowsher and Gaussian priors are extended to multi-parametric priors. In addition, we propose a modified joint Burg entropy prior that by definition exploits all parametric information in the MAP reconstruction of PET data. The performance of the priors was extensively evaluated using 3D simulations and two clinical brain datasets of [18F]florbetaben and [18F]FDG radiotracers. For simulations, several anato-functional mismatches were intentionally introduced between the PET and MR images, and furthermore, for the FDG clinical dataset, two PET-unique active tumours were embedded in the PET data. Our simulation results showed that the joint Burg entropy prior far outperformed the conventional anatomical priors in terms of preserving PET unique lesions, while still reconstructing functional boundaries with corresponding MR boundaries. In addition, the multi-parametric extension of the Gaussian and Bowsher priors led to enhanced preservation of edge and PET unique features and also an improved bias-variance performance. In agreement with the simulation results, the clinical results also showed that the Gaussian prior with voxel-based feature vectors, the Bowsher and the joint Burg entropy priors were the best performing priors. However, for the FDG dataset with simulated tumours, the TV and proposed priors were capable of preserving the PET-unique tumours. Finally, an important outcome was the demonstration that the MAP reconstruction of a low-count FDG PET dataset using the proposed joint entropy prior can lead to comparable image quality to a conventional ML reconstruction with up to 5 times more counts. In conclusion, multi-parametric anato-functional priors provide a solution to address the pitfalls of the conventional priors and are therefore likely to increase the diagnostic confidence in MR-guided PET image reconstructions.

Computation and analysis for a constrained entropy optimization problem in finance

NASA Astrophysics Data System (ADS)

He, Changhong; Coleman, Thomas F.; Li, Yuying

2008-12-01

In [T. Coleman, C. He, Y. Li, Calibrating volatility function bounds for an uncertain volatility model, Journal of Computational Finance (2006) (submitted for publication)], an entropy minimization formulation has been proposed to calibrate an uncertain volatility option pricing model (UVM) from market bid and ask prices. To avoid potential infeasibility due to numerical error, a quadratic penalty function approach is applied. In this paper, we show that the solution to the quadratic penalty problem can be obtained by minimizing an objective function which can be evaluated via solving a Hamilton-Jacobian-Bellman (HJB) equation. We prove that the implicit finite difference solution of this HJB equation converges to its viscosity solution. In addition, we provide computational examples illustrating accuracy of calibration.

Interrelation of Entropic Contributors to π -Stacking in Solution

NASA Astrophysics Data System (ADS)

Starodub, Maria A.; Lantushenko, Anastasia O.; Evstigneev, Vladislav P.; Golovchenko, Igor V.; Mykhina, Yulia V.; Savin, Valery V.; Evstigneev, Maxim P.

2016-08-01

The recently published most complete set of thermodynamical data on self- and hetero-complexation of aromatic molecules measured under comparable experimental conditions were analyzed. The main aim of this study is to get insights into contribution of various entropic factors to π -stacking in aqueous solution. It was found that the experimental entropy change on π -stacking is determined by counterbalancing effects of two principal factors, i.e., the hydrophobic interaction (positive contribution) and the loss of degrees of freedom (negative contribution) modulated by the electrostatic contribution. Other factors, including the mixing entropy contribution, were shown to be less important.

Influence of Annealing on Microstructure and Mechanical Properties of Refractory CoCrMoNbTi0.4 High-Entropy Alloy

NASA Astrophysics Data System (ADS)

Zhang, Mina; Zhou, Xianglin; Zhu, Wuzhi; Li, Jinghao

2018-04-01

A novel refractory CoCrMoNbTi0.4 high-entropy alloy (HEA) was prepared via vacuum arc melting. After annealing treatment at different temperatures, the microstructure evolution, phase stability, and mechanical properties of the alloy were investigated. The alloy was composed of two primary body-centered cubic structures (BCC1 and BCC2) and a small amount of (Co, Cr)2Nb-type Laves phase under different annealing conditions. The microhardness and compressive strength of the heat-treated alloy was significantly enhanced by the solid-solution strengthening of the BCC phase matrix and newborn Laves phase. Especially, the alloy annealed at 1473 K (1200 °C) achieved the maximum hardness and compressive strength values of 959 ± 2 HV0.5 and 1790 MPa, respectively, owing to the enhanced volume fraction of the dispersed Laves phase. In particular, the HEAs exhibited promising high-temperature mechanical performance, when heated to an elevated temperature of 1473 K (1200 °C), with a compressive fracture strength higher than 580 MPa without fracture at a strain of more than 20 pct. This study suggests that the present refractory HEAs have immense potential for engineering applications as a new class of high-temperature structural materials.

Advanced Mathematical Tools in Metrology III

NASA Astrophysics Data System (ADS)

Ciarlini, P.

The Table of Contents for the book is as follows: * Foreword * Invited Papers * The ISO Guide to the Expression of Uncertainty in Measurement: A Bridge between Statistics and Metrology * Bootstrap Algorithms and Applications * The TTRSs: 13 Oriented Constraints for Dimensioning, Tolerancing & Inspection * Graded Reference Data Sets and Performance Profiles for Testing Software Used in Metrology * Uncertainty in Chemical Measurement * Mathematical Methods for Data Analysis in Medical Applications * High-Dimensional Empirical Linear Prediction * Wavelet Methods in Signal Processing * Software Problems in Calibration Services: A Case Study * Robust Alternatives to Least Squares * Gaining Information from Biomagnetic Measurements * Full Papers * Increase of Information in the Course of Measurement * A Framework for Model Validation and Software Testing in Regression * Certification of Algorithms for Determination of Signal Extreme Values during Measurement * A Method for Evaluating Trends in Ozone-Concentration Data and Its Application to Data from the UK Rural Ozone Monitoring Network * Identification of Signal Components by Stochastic Modelling in Measurements of Evoked Magnetic Fields from Peripheral Nerves * High Precision 3D-Calibration of Cylindrical Standards * Magnetic Dipole Estimations for MCG-Data * Transfer Functions of Discrete Spline Filters * An Approximation Method for the Linearization of Tridimensional Metrology Problems * Regularization Algorithms for Image Reconstruction from Projections * Quality of Experimental Data in Hydrodynamic Research * Stochastic Drift Models for the Determination of Calibration Intervals * Short Communications * Projection Method for Lidar Measurement * Photon Flux Measurements by Regularised Solution of Integral Equations * Correct Solutions of Fit Problems in Different Experimental Situations * An Algorithm for the Nonlinear TLS Problem in Polynomial Fitting * Designing Axially Symmetric Electromechanical Systems of Superconducting Magnetic Levitation in Matlab Environment * Data Flow Evaluation in Metrology * A Generalized Data Model for Integrating Clinical Data and Biosignal Records of Patients * Assessment of Three-Dimensional Structures in Clinical Dentistry * Maximum Entropy and Bayesian Approaches to Parameter Estimation in Mass Metrology * Amplitude and Phase Determination of Sinusoidal Vibration in the Nanometer Range using Quadrature Signals * A Class of Symmetric Compactly Supported Wavelets and Associated Dual Bases * Analysis of Surface Topography by Maximum Entropy Power Spectrum Estimation * Influence of Different Kinds of Errors on Imaging Results in Optical Tomography * Application of the Laser Interferometry for Automatic Calibration of Height Setting Micrometer * Author Index

Convergence to equilibrium of renormalised solutions to nonlinear chemical reaction–diffusion systems

NASA Astrophysics Data System (ADS)

Fellner, Klemens; Tang, Bao Quoc

2018-06-01

The convergence to equilibrium for renormalised solutions to nonlinear reaction-diffusion systems is studied. The considered reaction-diffusion systems arise from chemical reaction networks with mass action kinetics and satisfy the complex balanced condition. By applying the so-called entropy method, we show that if the system does not have boundary equilibria, i.e. equilibrium states lying on the boundary of R_+^N, then any renormalised solution converges exponentially to the complex balanced equilibrium with a rate, which can be computed explicitly up to a finite-dimensional inequality. This inequality is proven via a contradiction argument and thus not explicitly. An explicit method of proof, however, is provided for a specific application modelling a reversible enzyme reaction by exploiting the specific structure of the conservation laws. Our approach is also useful to study the trend to equilibrium for systems possessing boundary equilibria. More precisely, to show the convergence to equilibrium for systems with boundary equilibria, we establish a sufficient condition in terms of a modified finite-dimensional inequality along trajectories of the system. By assuming this condition, which roughly means that the system produces too much entropy to stay close to a boundary equilibrium for infinite time, the entropy method shows exponential convergence to equilibrium for renormalised solutions to complex balanced systems with boundary equilibria.

A maximum entropy reconstruction technique for tomographic particle image velocimetry

NASA Astrophysics Data System (ADS)

Bilsky, A. V.; Lozhkin, V. A.; Markovich, D. M.; Tokarev, M. P.

2013-04-01

This paper studies a novel approach for reducing tomographic PIV computational complexity. The proposed approach is an algebraic reconstruction technique, termed MENT (maximum entropy). This technique computes the three-dimensional light intensity distribution several times faster than SMART, using at least ten times less memory. Additionally, the reconstruction quality remains nearly the same as with SMART. This paper presents the theoretical computation performance comparison for MENT, SMART and MART, followed by validation using synthetic particle images. Both the theoretical assessment and validation of synthetic images demonstrate significant computational time reduction. The data processing accuracy of MENT was compared to that of SMART in a slot jet experiment. A comparison of the average velocity profiles shows a high level of agreement between the results obtained with MENT and those obtained with SMART.

Online Robot Dead Reckoning Localization Using Maximum Relative Entropy Optimization With Model Constraints

DOE Office of Scientific and Technical Information (OSTI.GOV)

Urniezius, Renaldas

2011-03-14

The principle of Maximum relative Entropy optimization was analyzed for dead reckoning localization of a rigid body when observation data of two attached accelerometers was collected. Model constraints were derived from the relationships between the sensors. The experiment's results confirmed that accelerometers each axis' noise can be successfully filtered utilizing dependency between channels and the dependency between time series data. Dependency between channels was used for a priori calculation, and a posteriori distribution was derived utilizing dependency between time series data. There was revisited data of autocalibration experiment by removing the initial assumption that instantaneous rotation axis of a rigidmore » body was known. Performance results confirmed that such an approach could be used for online dead reckoning localization.« less

LensEnt2: Maximum-entropy weak lens reconstruction

NASA Astrophysics Data System (ADS)

Marshall, P. J.; Hobson, M. P.; Gull, S. F.; Bridle, S. L.

2013-08-01

LensEnt2 is a maximum entropy reconstructor of weak lensing mass maps. The method takes each galaxy shape as an independent estimator of the reduced shear field and incorporates an intrinsic smoothness, determined by Bayesian methods, into the reconstruction. The uncertainties from both the intrinsic distribution of galaxy shapes and galaxy shape estimation are carried through to the final mass reconstruction, and the mass within arbitrarily shaped apertures are calculated with corresponding uncertainties. The input is a galaxy ellipticity catalog with each measured galaxy shape treated as a noisy tracer of the reduced shear field, which is inferred on a fine pixel grid assuming positivity, and smoothness on scales of w arcsec where w is an input parameter. The ICF width w can be chosen by computing the evidence for it.

Halo-independence with quantified maximum entropy at DAMA/LIBRA

NASA Astrophysics Data System (ADS)

Fowlie, Andrew

2017-10-01

Using the DAMA/LIBRA anomaly as an example, we formalise the notion of halo-independence in the context of Bayesian statistics and quantified maximum entropy. We consider an infinite set of possible profiles, weighted by an entropic prior and constrained by a likelihood describing noisy measurements of modulated moments by DAMA/LIBRA. Assuming an isotropic dark matter (DM) profile in the galactic rest frame, we find the most plausible DM profiles and predictions for unmodulated signal rates at DAMA/LIBRA. The entropic prior contains an a priori unknown regularisation factor, β, that describes the strength of our conviction that the profile is approximately Maxwellian. By varying β, we smoothly interpolate between a halo-independent and a halo-dependent analysis, thus exploring the impact of prior information about the DM profile.

Comparison of two views of maximum entropy in biodiversity: Frank (2011) and Pueyo et al. (2007).

PubMed

Pueyo, Salvador

2012-05-01

An increasing number of authors agree in that the maximum entropy principle (MaxEnt) is essential for the understanding of macroecological patterns. However, there are subtle but crucial differences among the approaches by several of these authors. This poses a major obstacle for anyone interested in applying the methodology of MaxEnt in this context. In a recent publication, Frank (2011) gives some arguments why his own approach would represent an improvement as compared to the earlier paper by Pueyo et al. (2007) and also to the views by Edwin T. Jaynes, who first formulated MaxEnt in the context of statistical physics. Here I show that his criticisms are flawed and that there are fundamental reasons to prefer the original approach.

Bayesian Image Segmentations by Potts Prior and Loopy Belief Propagation

NASA Astrophysics Data System (ADS)

Tanaka, Kazuyuki; Kataoka, Shun; Yasuda, Muneki; Waizumi, Yuji; Hsu, Chiou-Ting

2014-12-01

This paper presents a Bayesian image segmentation model based on Potts prior and loopy belief propagation. The proposed Bayesian model involves several terms, including the pairwise interactions of Potts models, and the average vectors and covariant matrices of Gauss distributions in color image modeling. These terms are often referred to as hyperparameters in statistical machine learning theory. In order to determine these hyperparameters, we propose a new scheme for hyperparameter estimation based on conditional maximization of entropy in the Potts prior. The algorithm is given based on loopy belief propagation. In addition, we compare our conditional maximum entropy framework with the conventional maximum likelihood framework, and also clarify how the first order phase transitions in loopy belief propagations for Potts models influence our hyperparameter estimation procedures.

On the sufficiency of pairwise interactions in maximum entropy models of networks

NASA Astrophysics Data System (ADS)

Nemenman, Ilya; Merchan, Lina

Biological information processing networks consist of many components, which are coupled by an even larger number of complex multivariate interactions. However, analyses of data sets from fields as diverse as neuroscience, molecular biology, and behavior have reported that observed statistics of states of some biological networks can be approximated well by maximum entropy models with only pairwise interactions among the components. Based on simulations of random Ising spin networks with p-spin (p > 2) interactions, here we argue that this reduction in complexity can be thought of as a natural property of some densely interacting networks in certain regimes, and not necessarily as a special property of living systems. This work was supported in part by James S. McDonnell Foundation Grant No. 220020321.

Maximum entropy models as a tool for building precise neural controls.

PubMed

Savin, Cristina; Tkačik, Gašper

2017-10-01

Neural responses are highly structured, with population activity restricted to a small subset of the astronomical range of possible activity patterns. Characterizing these statistical regularities is important for understanding circuit computation, but challenging in practice. Here we review recent approaches based on the maximum entropy principle used for quantifying collective behavior in neural activity. We highlight recent models that capture population-level statistics of neural data, yielding insights into the organization of the neural code and its biological substrate. Furthermore, the MaxEnt framework provides a general recipe for constructing surrogate ensembles that preserve aspects of the data, but are otherwise maximally unstructured. This idea can be used to generate a hierarchy of controls against which rigorous statistical tests are possible. Copyright © 2017 Elsevier Ltd. All rights reserved.

Comparison of two views of maximum entropy in biodiversity: Frank (2011) and Pueyo et al. (2007)

PubMed Central

Pueyo, Salvador

2012-01-01

An increasing number of authors agree in that the maximum entropy principle (MaxEnt) is essential for the understanding of macroecological patterns. However, there are subtle but crucial differences among the approaches by several of these authors. This poses a major obstacle for anyone interested in applying the methodology of MaxEnt in this context. In a recent publication, Frank (2011) gives some arguments why his own approach would represent an improvement as compared to the earlier paper by Pueyo et al. (2007) and also to the views by Edwin T. Jaynes, who first formulated MaxEnt in the context of statistical physics. Here I show that his criticisms are flawed and that there are fundamental reasons to prefer the original approach. PMID:22837843

MaxEnt-Based Ecological Theory: A Template for Integrated Catchment Theory

NASA Astrophysics Data System (ADS)

Harte, J.

2017-12-01

The maximum information entropy procedure (MaxEnt) is both a powerful tool for inferring least-biased probability distributions from limited data and a framework for the construction of complex systems theory. The maximum entropy theory of ecology (METE) describes remarkably well widely observed patterns in the distribution, abundance and energetics of individuals and taxa in relatively static ecosystems. An extension to ecosystems undergoing change in response to disturbance or natural succession (DynaMETE) is in progress. I describe the structure of both the static and the dynamic theory and show a range of comparisons with census data. I then propose a generalization of the MaxEnt approach that could provide a framework for a predictive theory of both static and dynamic, fully-coupled, eco-socio-hydrological catchment systems.

A non-uniformly sampled 4D HCC(CO)NH-TOCSY experiment processed using maximum entropy for rapid protein sidechain assignment

PubMed Central

Mobli, Mehdi; Stern, Alan S.; Bermel, Wolfgang; King, Glenn F.; Hoch, Jeffrey C.

2010-01-01

One of the stiffest challenges in structural studies of proteins using NMR is the assignment of sidechain resonances. Typically, a panel of lengthy 3D experiments are acquired in order to establish connectivities and resolve ambiguities due to overlap. We demonstrate that these experiments can be replaced by a single 4D experiment that is time-efficient, yields excellent resolution, and captures unique carbon-proton connectivity information. The approach is made practical by the use of non-uniform sampling in the three indirect time dimensions and maximum entropy reconstruction of the corresponding 3D frequency spectrum. This 4D method will facilitate automated resonance assignment procedures and it should be particularly beneficial for increasing throughput in NMR-based structural genomics initiatives. PMID:20299257

A maximum entropy model for chromatin structure

NASA Astrophysics Data System (ADS)

Farre, Pau; Emberly, Eldon; Emberly Group Team

The DNA inside the nucleus of eukaryotic cells shows a variety of conserved structures at different length scales These structures are formed by interactions between protein complexes that bind to the DNA and regulate gene activity. Recent high throughput sequencing techniques allow for the measurement both of the genome wide contact map of the folded DNA within a cell (HiC) and where various proteins are bound to the DNA (ChIP-seq). In this talk I will present a maximum-entropy method capable of both predicting HiC contact maps from binding data, and binding data from HiC contact maps. This method results in an intuitive Ising-type model that is able to predict how altering the presence of binding factors can modify chromosome conformation, without the need of polymer simulations.

Synergistic effect of graphene nanosheets and zinc oxide nanoparticles for effective adsorption of Ni (II) ions from aqueous solutions

NASA Astrophysics Data System (ADS)

Hadadian, Mahboubeh; Goharshadi, Elaheh K.; Fard, Mina Matin; Ahmadzadeh, Hossein

2018-03-01

The threat of toxic substances such as heavy metals to public health and wildlife has led to an increasing public awareness. Different techniques for neutralizing the toxic effects of heavy metals in wastewater have been used. Here, we prepared a new and efficient type of adsorbent, zinc oxide-graphene nanocomposite (ZnO-Gr), via a green method to remove Ni (II) ions from aqueous solutions. A facile microwave-assisted hydrothermal technique in the presence of an ionic liquid, 1-hexyl-3-methylimidazolium bis (trifluoromethylsulfonyl) imide [C6mim] [NTf2], was used to prepare ZnO-Gr. The synergistic effect between graphene nanosheets and ZnO nanoparticles in this new adsorbent for Ni (II) ions caused a maximum adsorption capacity of 66.7 mg g-1 at room temperature which is much higher than that of graphene nanosheets (3.8 mg g-1) and other carbonaceous nanomaterials used as an adsorbent in the literature. The maximum desorption percentage (90.32%) was achieved at pH 3.6. By thermodynamic study, we found that the adsorption of this heavy metal ion on ZnO-Gr was spontaneous (Δ G° = -6.14 kJ mol-1) and endothermic (Δ H° = 53.31 kJ mol-1) with entropy change of Δ S° = 199.45 J K-1 mol- 1.

DECONV-TOOL: An IDL based deconvolution software package

NASA Technical Reports Server (NTRS)

Varosi, F.; Landsman, W. B.

1992-01-01

There are a variety of algorithms for deconvolution of blurred images, each having its own criteria or statistic to be optimized in order to estimate the original image data. Using the Interactive Data Language (IDL), we have implemented the Maximum Likelihood, Maximum Entropy, Maximum Residual Likelihood, and sigma-CLEAN algorithms in a unified environment called DeConv_Tool. Most of the algorithms have as their goal the optimization of statistics such as standard deviation and mean of residuals. Shannon entropy, log-likelihood, and chi-square of the residual auto-correlation are computed by DeConv_Tool for the purpose of determining the performance and convergence of any particular method and comparisons between methods. DeConv_Tool allows interactive monitoring of the statistics and the deconvolved image during computation. The final results, and optionally, the intermediate results, are stored in a structure convenient for comparison between methods and review of the deconvolution computation. The routines comprising DeConv_Tool are available via anonymous FTP through the IDL Astronomy User's Library.

On relativistic generalization of Perelman's W-entropy and thermodynamic description of gravitational fields and cosmology

NASA Astrophysics Data System (ADS)

Ruchin, Vyacheslav; Vacaru, Olivia; Vacaru, Sergiu I.

2017-03-01

Using double 2+2 and 3+1 nonholonomic fibrations on Lorentz manifolds, we extend the concept of W-entropy for gravitational fields in general relativity (GR). Such F- and W-functionals were introduced in the Ricci flow theory of three dimensional (3-d) Riemannian metrics by Perelman (the entropy formula for the Ricci flow and its geometric applications. arXiv:math.DG/0211159). Non-relativistic 3-d Ricci flows are characterized by associated statistical thermodynamical values determined by W-entropy. Generalizations for geometric flows of 4-d pseudo-Riemannian metrics are considered for models with local thermodynamical equilibrium and separation of dissipative and non-dissipative processes in relativistic hydrodynamics. The approach is elaborated in the framework of classical field theories (relativistic continuum and hydrodynamic models) without an underlying kinetic description, which will be elaborated in other work. The 3+1 splitting allows us to provide a general relativistic definition of gravitational entropy in the Lyapunov-Perelman sense. It increases monotonically as structure forms in the Universe. We can formulate a thermodynamic description of exact solutions in GR depending, in general, on all spacetime coordinates. A corresponding 2+2 splitting with nonholonomic deformation of linear connection and frame structures is necessary for generating in very general form various classes of exact solutions of the Einstein and general relativistic geometric flow equations. Finally, we speculate on physical macrostates and microstate interpretations of the W-entropy in GR, geometric flow theories and possible connections to string theory (a second unsolved problem also contained in Perelman's work) in Polyakov's approach.

Entropy generation in Gaussian quantum transformations: applying the replica method to continuous-variable quantum information theory

NASA Astrophysics Data System (ADS)

Gagatsos, Christos N.; Karanikas, Alexandros I.; Kordas, Georgios; Cerf, Nicolas J.

2016-02-01

In spite of their simple description in terms of rotations or symplectic transformations in phase space, quadratic Hamiltonians such as those modelling the most common Gaussian operations on bosonic modes remain poorly understood in terms of entropy production. For instance, determining the quantum entropy generated by a Bogoliubov transformation is notably a hard problem, with generally no known analytical solution, while it is vital to the characterisation of quantum communication via bosonic channels. Here we overcome this difficulty by adapting the replica method, a tool borrowed from statistical physics and quantum field theory. We exhibit a first application of this method to continuous-variable quantum information theory, where it enables accessing entropies in an optical parametric amplifier. As an illustration, we determine the entropy generated by amplifying a binary superposition of the vacuum and a Fock state, which yields a surprisingly simple, yet unknown analytical expression.

Value Focused Thinking Applications to Supervised Pattern Classification With Extensions to Hyperspectral Anomaly Detection Algorithms

DTIC Science & Technology

2015-03-26

performing. All reasonable permutations of factors will be used to develop a multitude of unique combinations. These combinations are considered different...are seen below (Duda et al., 2001). Entropy impurity: () = −�P�ωj�log2P(ωj) j (9) Gini impurity: () =�()�� = 1 2 ∗ [1...proportion of one class to another approaches 0.5, the impurity measure reaches its maximum, which for Entropy is 1.0, while it is 0.5 for Gini and

Regularization of Grad’s 13 -Moment-Equations in Kinetic Gas Theory

DTIC Science & Technology

2011-01-01

variant of the moment method has been proposed by Eu (1980) and is used, e.g., in Myong (2001). Recently, a maximum- entropy 10-moment system has been used...small amplitude linear waves, the R13 system is linearly stable in time for all modes and wave lengths. The instability of the Burnett system indicates...Boltzmann equation. Related to the problem of global hyperbolicity is the questions of the existence of an entropy law for the R13 system . In the linear

Maximum Kolmogorov-Sinai Entropy Versus Minimum Mixing Time in Markov Chains

NASA Astrophysics Data System (ADS)

Mihelich, M.; Dubrulle, B.; Paillard, D.; Kral, Q.; Faranda, D.

2018-01-01

We establish a link between the maximization of Kolmogorov Sinai entropy (KSE) and the minimization of the mixing time for general Markov chains. Since the maximisation of KSE is analytical and easier to compute in general than mixing time, this link provides a new faster method to approximate the minimum mixing time dynamics. It could be interesting in computer sciences and statistical physics, for computations that use random walks on graphs that can be represented as Markov chains.

The Adiabatic Piston and the Second Law of Thermodynamics

NASA Astrophysics Data System (ADS)

Crosignani, Bruno; Di Porto, Paolo; Conti, Claudio

2002-11-01

A detailed analysis of the adiabatic-piston problem reveals peculiar dynamical features that challenge the general belief that isolated systems necessarily reach a static equilibrium state. In particular, the fact that the piston behaves like a perpetuum mobile, i.e., it never stops but keeps wandering, undergoing sizable oscillations, around the position corresponding to maximum entropy, has remarkable implications on the entropy variations of the system and on the validity of the second law when dealing with systems of mesoscopic dimensions.

A Novel Multivoxel-Based Quantitation of Metabolites and Lipids Noninvasively Combined with Diffusion-Weighted Imaging in Breast Cancer

DTIC Science & Technology

2013-10-01

cancer for improving the overall specificity.  Our recent work has focused on testing retrospective Maximum Entropy and Compressed Sensing of the 4D...terparts and increases the entropy or sparsity of the reconstructed spectrum by narrowing the peak linewidths and de -noising smaller features. This, in...tightened’ beyond the standard de - viation of the noise in an effort to reduce the RMSE and reconstruc- tion non-linearity, but this prevents the

Dissipated energy and entropy production for an unconventional heat engine: the stepwise `circular cycle'

NASA Astrophysics Data System (ADS)

di Liberto, Francesco; Pastore, Raffaele; Peruggi, Fulvio

2011-05-01

When some entropy is transferred, by means of a reversible engine, from a hot heat source to a colder one, the maximum efficiency occurs, i.e. the maximum available work is obtained. Similarly, a reversible heat pumps transfer entropy from a cold heat source to a hotter one with the minimum expense of energy. In contrast, if we are faced with non-reversible devices, there is some lost work for heat engines, and some extra work for heat pumps. These quantities are both related to entropy production. The lost work, i.e. ? , is also called 'degraded energy' or 'energy unavailable to do work'. The extra work, i.e. ? , is the excess of work performed on the system in the irreversible process with respect to the reversible one (or the excess of heat given to the hotter source in the irreversible process). Both quantities are analysed in detail and are evaluated for a complex process, i.e. the stepwise circular cycle, which is similar to the stepwise Carnot cycle. The stepwise circular cycle is a cycle performed by means of N small weights, dw, which are first added and then removed from the piston of the vessel containing the gas or vice versa. The work performed by the gas can be found as the increase of the potential energy of the dw's. Each single dw is identified and its increase, i.e. its increase in potential energy, evaluated. In such a way it is found how the energy output of the cycle is distributed among the dw's. The size of the dw's affects entropy production and therefore the lost and extra work. The distribution of increases depends on the chosen removal process.

Sample entropy analysis of cervical neoplasia gene-expression signatures

PubMed Central

Botting, Shaleen K; Trzeciakowski, Jerome P; Benoit, Michelle F; Salama, Salama A; Diaz-Arrastia, Concepcion R

2009-01-01

Background We introduce Approximate Entropy as a mathematical method of analysis for microarray data. Approximate entropy is applied here as a method to classify the complex gene expression patterns resultant of a clinical sample set. Since Entropy is a measure of disorder in a system, we believe that by choosing genes which display minimum entropy in normal controls and maximum entropy in the cancerous sample set we will be able to distinguish those genes which display the greatest variability in the cancerous set. Here we describe a method of utilizing Approximate Sample Entropy (ApSE) analysis to identify genes of interest with the highest probability of producing an accurate, predictive, classification model from our data set. Results In the development of a diagnostic gene-expression profile for cervical intraepithelial neoplasia (CIN) and squamous cell carcinoma of the cervix, we identified 208 genes which are unchanging in all normal tissue samples, yet exhibit a random pattern indicative of the genetic instability and heterogeneity of malignant cells. This may be measured in terms of the ApSE when compared to normal tissue. We have validated 10 of these genes on 10 Normal and 20 cancer and CIN3 samples. We report that the predictive value of the sample entropy calculation for these 10 genes of interest is promising (75% sensitivity, 80% specificity for prediction of cervical cancer over CIN3). Conclusion The success of the Approximate Sample Entropy approach in discerning alterations in complexity from biological system with such relatively small sample set, and extracting biologically relevant genes of interest hold great promise. PMID:19232110

GABAergic excitation of spider mechanoreceptors increases information capacity by increasing entropy rather than decreasing jitter.

PubMed

Pfeiffer, Keram; French, Andrew S

2009-09-02

Neurotransmitter chemicals excite or inhibit a range of sensory afferents and sensory pathways. These changes in firing rate or static sensitivity can also be associated with changes in dynamic sensitivity or membrane noise and thus action potential timing. We measured action potential firing produced by random mechanical stimulation of spider mechanoreceptor neurons during long-duration excitation by the GABAA agonist muscimol. Information capacity was estimated from signal-to-noise ratio by averaging responses to repeated identical stimulation sequences. Information capacity was also estimated from the coherence function between input and output signals. Entropy rate was estimated by a data compression algorithm and maximum entropy rate from the firing rate. Action potential timing variability, or jitter, was measured as normalized interspike interval distance. Muscimol increased firing rate, information capacity, and entropy rate, but jitter was unchanged. We compared these data with the effects of increasing firing rate by current injection. Our results indicate that the major increase in information capacity by neurotransmitter action arose from the increased entropy rate produced by increased firing rate, not from reduction in membrane noise and action potential jitter.

An improved method for predicting the evolution of the characteristic parameters of an information system

NASA Astrophysics Data System (ADS)

Dushkin, A. V.; Kasatkina, T. I.; Novoseltsev, V. I.; Ivanov, S. V.

2018-03-01

The article proposes a forecasting method that allows, based on the given values of entropy and error level of the first and second kind, to determine the allowable time for forecasting the development of the characteristic parameters of a complex information system. The main feature of the method under consideration is the determination of changes in the characteristic parameters of the development of the information system in the form of the magnitude of the increment in the ratios of its entropy. When a predetermined value of the prediction error ratio is reached, that is, the entropy of the system, the characteristic parameters of the system and the depth of the prediction in time are estimated. The resulting values of the characteristics and will be optimal, since at that moment the system possessed the best ratio of entropy as a measure of the degree of organization and orderliness of the structure of the system. To construct a method for estimating the depth of prediction, it is expedient to use the maximum principle of the value of entropy.

Force-Time Entropy of Isometric Impulse.

PubMed

Hsieh, Tsung-Yu; Newell, Karl M

2016-01-01

The relation between force and temporal variability in discrete impulse production has been viewed as independent (R. A. Schmidt, H. Zelaznik, B. Hawkins, J. S. Frank, & J. T. Quinn, 1979 ) or dependent on the rate of force (L. G. Carlton & K. M. Newell, 1993 ). Two experiments in an isometric single finger force task investigated the joint force-time entropy with (a) fixed time to peak force and different percentages of force level and (b) fixed percentage of force level and different times to peak force. The results showed that the peak force variability increased either with the increment of force level or through a shorter time to peak force that also reduced timing error variability. The peak force entropy and entropy of time to peak force increased on the respective dimension as the parameter conditions approached either maximum force or a minimum rate of force production. The findings show that force error and timing error are dependent but complementary when considered in the same framework with the joint force-time entropy at a minimum in the middle parameter range of discrete impulse.

Optimality and inference in hydrology from entropy production considerations: synthetic hillslope numerical experiments

NASA Astrophysics Data System (ADS)

Kollet, S. J.

2015-05-01

In this study, entropy production optimization and inference principles are applied to a synthetic semi-arid hillslope in high-resolution, physics-based simulations. The results suggest that entropy or power is indeed maximized, because of the strong nonlinearity of variably saturated flow and competing processes related to soil moisture fluxes, the depletion of gradients, and the movement of a free water table. Thus, it appears that the maximum entropy production (MEP) principle may indeed be applicable to hydrologic systems. In the application to hydrologic system, the free water table constitutes an important degree of freedom in the optimization of entropy production and may also relate the theory to actual observations. In an ensuing analysis, an attempt is made to transfer the complex, "microscopic" hillslope model into a macroscopic model of reduced complexity using the MEP principle as an interference tool to obtain effective conductance coefficients and forces/gradients. The results demonstrate a new approach for the application of MEP to hydrologic systems and may form the basis for fruitful discussions and research in future.

Elastic moduli and thermal expansion coefficients of medium-entropy subsystems of the CrMnFeCoNi high-entropy alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Laplanche, Guillaume; Gadaud, P.; Barsch, C.

Elastic moduli of a set of equiatomic alloys (CrFeCoNi, CrCoNi, CrFeNi, FeCoNi, MnCoNi, MnFeNi, and CoNi), which are medium-entropy subsystems of the CrMnFeCoNi high-entropy alloy were determined as a function of temperature over the range 293 K–1000 K. Thermal expansion coefficients were determined for these alloys over the temperature range 100 K–673 K. All alloys were single-phase and had the face-centered cubic (FCC) crystal structure, except CrFeNi which is a two-phase alloy containing a small amount of body-centered cubic (BCC) precipitates in a FCC matrix. The temperature dependences of thermal expansion coefficients and elastic moduli obtained here are useful for quantifying fundamental aspects suchmore » as solid solution strengthening, and for structural analysis/design. Furthermore, using the above results, the yield strengths reported in literature for these alloys were normalized by their shear moduli to reveal the influence of shear modulus on solid solution strengthening.« less

Bayesian image reconstruction - The pixon and optimal image modeling

NASA Technical Reports Server (NTRS)

Pina, R. K.; Puetter, R. C.

1993-01-01

In this paper we describe the optimal image model, maximum residual likelihood method (OptMRL) for image reconstruction. OptMRL is a Bayesian image reconstruction technique for removing point-spread function blurring. OptMRL uses both a goodness-of-fit criterion (GOF) and an 'image prior', i.e., a function which quantifies the a priori probability of the image. Unlike standard maximum entropy methods, which typically reconstruct the image on the data pixel grid, OptMRL varies the image model in order to find the optimal functional basis with which to represent the image. We show how an optimal basis for image representation can be selected and in doing so, develop the concept of the 'pixon' which is a generalized image cell from which this basis is constructed. By allowing both the image and the image representation to be variable, the OptMRL method greatly increases the volume of solution space over which the image is optimized. Hence the likelihood of the final reconstructed image is greatly increased. For the goodness-of-fit criterion, OptMRL uses the maximum residual likelihood probability distribution introduced previously by Pina and Puetter (1992). This GOF probability distribution, which is based on the spatial autocorrelation of the residuals, has the advantage that it ensures spatially uncorrelated image reconstruction residuals.

Forest Tree Species Distribution Mapping Using Landsat Satellite Imagery and Topographic Variables with the Maximum Entropy Method in Mongolia

NASA Astrophysics Data System (ADS)

Hao Chiang, Shou; Valdez, Miguel; Chen, Chi-Farn

2016-06-01

Forest is a very important ecosystem and natural resource for living things. Based on forest inventories, government is able to make decisions to converse, improve and manage forests in a sustainable way. Field work for forestry investigation is difficult and time consuming, because it needs intensive physical labor and the costs are high, especially surveying in remote mountainous regions. A reliable forest inventory can give us a more accurate and timely information to develop new and efficient approaches of forest management. The remote sensing technology has been recently used for forest investigation at a large scale. To produce an informative forest inventory, forest attributes, including tree species are unavoidably required to be considered. In this study the aim is to classify forest tree species in Erdenebulgan County, Huwsgul province in Mongolia, using Maximum Entropy method. The study area is covered by a dense forest which is almost 70% of total territorial extension of Erdenebulgan County and is located in a high mountain region in northern Mongolia. For this study, Landsat satellite imagery and a Digital Elevation Model (DEM) were acquired to perform tree species mapping. The forest tree species inventory map was collected from the Forest Division of the Mongolian Ministry of Nature and Environment as training data and also used as ground truth to perform the accuracy assessment of the tree species classification. Landsat images and DEM were processed for maximum entropy modeling, and this study applied the model with two experiments. The first one is to use Landsat surface reflectance for tree species classification; and the second experiment incorporates terrain variables in addition to the Landsat surface reflectance to perform the tree species classification. All experimental results were compared with the tree species inventory to assess the classification accuracy. Results show that the second one which uses Landsat surface reflectance coupled with terrain variables produced better result, with the higher overall accuracy and kappa coefficient than first experiment. The results indicate that the Maximum Entropy method is an applicable, and to classify tree species using satellite imagery data coupled with terrain information can improve the classification of tree species in the study area.

Solubility of non-polar gases in electrolyte solutions

NASA Technical Reports Server (NTRS)

Walker, R. L., Jr.

1970-01-01

Solubility theory describes the effects of both concentration and temperature on solute activity coefficients. It predicts the salting-out effect and the decrease in solubility of non-polar gases with increased electrolyte concentration, and can be used to calculate heats of solution, entropies, and partial molal volumes of dissolved gases

A Theoretical Basis for Entropy-Scaling Effects in Human Mobility Patterns

PubMed Central

2016-01-01

Characterizing how people move through space has been an important component of many disciplines. With the advent of automated data collection through GPS and other location sensing systems, researchers have the opportunity to examine human mobility at spatio-temporal resolution heretofore impossible. However, the copious and complex data collected through these logging systems can be difficult for humans to fully exploit, leading many researchers to propose novel metrics for encapsulating movement patterns in succinct and useful ways. A particularly salient proposed metric is the mobility entropy rate of the string representing the sequence of locations visited by an individual. However, mobility entropy rate is not scale invariant: entropy rate calculations based on measurements of the same trajectory at varying spatial or temporal granularity do not yield the same value, limiting the utility of mobility entropy rate as a metric by confounding inter-experimental comparisons. In this paper, we derive a scaling relationship for mobility entropy rate of non-repeating straight line paths from the definition of Lempel-Ziv compression. We show that the resulting formulation predicts the scaling behavior of simulated mobility traces, and provides an upper bound on mobility entropy rate under certain assumptions. We further show that this formulation has a maximum value for a particular sampling rate, implying that optimal sampling rates for particular movement patterns exist. PMID:27571423

Universal laws of human society's income distribution

NASA Astrophysics Data System (ADS)

Tao, Yong

2015-10-01

General equilibrium equations in economics play the same role with many-body Newtonian equations in physics. Accordingly, each solution of the general equilibrium equations can be regarded as a possible microstate of the economic system. Since Arrow's Impossibility Theorem and Rawls' principle of social fairness will provide a powerful support for the hypothesis of equal probability, then the principle of maximum entropy is available in a just and equilibrium economy so that an income distribution will occur spontaneously (with the largest probability). Remarkably, some scholars have observed such an income distribution in some democratic countries, e.g. USA. This result implies that the hypothesis of equal probability may be only suitable for some "fair" systems (economic or physical systems). From this meaning, the non-equilibrium systems may be "unfair" so that the hypothesis of equal probability is unavailable.

Deformations of the Almheiri-Polchinski model

NASA Astrophysics Data System (ADS)

Kyono, Hideki; Okumura, Suguru; Yoshida, Kentaroh

2017-03-01

We study deformations of the Almheiri-Polchinski (AP) model by employing the Yang-Baxter deformation technique. The general deformed AdS2 metric becomes a solution of a deformed AP model. In particular, the dilaton potential is deformed from a simple quadratic form to a hyperbolic function-type potential similarly to integrable deformations. A specific solution is a deformed black hole solution. Because the deformation makes the spacetime structure around the boundary change drastically and a new naked singularity appears, the holographic interpretation is far from trivial. The Hawking temperature is the same as the undeformed case but the Bekenstein-Hawking entropy is modified due to the deformation. This entropy can also be reproduced by evaluating the renormalized stress tensor with an appropriate counter-term on the regularized screen close to the singularity.

Activation energy and entropy for viscosity of wormlike micelle solutions.

PubMed

Chandler, H D

2013-11-01

The viscosities of two surfactant solutions which form wormlike micelles (WLMs) were studied over a range of temperatures and strain rates. WLM solutions appear to differ from many other shear thinning systems in that, as the shear rate increases, stress-shear rate curves tend to converge with temperature rather than diverge and this can sometimes lead to higher temperature curves crossing those at lower. Behaviour was analysed in terms of activation kinetics. It is suggested that two mechanisms are involved: Newtonian flow, following an Arrhenius law superimposed on a non-Newtonian flow described by a stress assisted kinetic law, this being a more general form of the Arrhenius law. Anomalous flow is introduced into the kinetic equation via a stress dependent activation entropy term. Copyright © 2013 Elsevier Inc. All rights reserved.

Mixing and electronic entropy contributions to thermal energy storage in low melting point alloys

NASA Astrophysics Data System (ADS)

Shamberger, Patrick J.; Mizuno, Yasushi; Talapatra, Anjana A.

2017-07-01

Melting of crystalline solids is associated with an increase in entropy due to an increase in configurational, rotational, and other degrees of freedom of a system. However, the magnitude of chemical mixing and electronic degrees of freedom, two significant contributions to the entropy of fusion, remain poorly constrained, even in simple 2 and 3 component systems. Here, we present experimentally measured entropies of fusion in the Sn-Pb-Bi and In-Sn-Bi ternary systems, and decouple mixing and electronic contributions. We demonstrate that electronic effects remain the dominant contribution to the entropy of fusion in multi-component post-transition metal and metalloid systems, and that excess entropy of mixing terms can be equal in magnitude to ideal mixing terms, causing regular solution approximations to be inadequate in the general case. Finally, we explore binary eutectic systems using mature thermodynamic databases, identifying eutectics containing at least one semiconducting intermetallic phase as promising candidates to exceed the entropy of fusion of monatomic endmembers, while simultaneously maintaining low melting points. These results have significant implications for engineering high-thermal conductivity metallic phase change materials to store thermal energy.

Higher-n triangular dilatonic black holes

NASA Astrophysics Data System (ADS)

Zadora, Anton; Gal'tsov, Dmitri V.; Chen, Chiang-Mei

2018-04-01

Dilaton gravity with the form fields is known to possess dyon solutions with two horizons for the discrete "triangular" values of the dilaton coupling constant a =√{ n (n + 1) / 2 }. This sequence first obtained numerically and then explained analytically as consequence of the regularity of the dilaton, should have some higher-dimensional and/or group theoretical origin. Meanwhile, this origin was explained earlier only for n = 1 , 2 in which cases the solutions were known analytically. We extend this explanation to n = 3 , 5 presenting analytical triangular solutions for the theory with different dilaton couplings a , b in electric and magnetic sectors in which case the quantization condition reads ab = n (n + 1) / 2. The solutions are derived via the Toda chains for B2 and G2 Lie algebras. They are found in the closed form in general D space-time dimensions. Solutions satisfy the entropy product rules indicating on the microscopic origin of their entropy and have negative binding energy in the extremal case.

Phase Diagram of Planar Matrix Quantum Mechanics, Tensor, and Sachdev-Ye-Kitaev Models.

PubMed

Azeyanagi, Tatsuo; Ferrari, Frank; Massolo, Fidel I Schaposnik

2018-02-09

We study the Schwinger-Dyson equations of a fermionic planar matrix quantum mechanics [or tensor and Sachdev-Ye-Kitaev (SYK) models] at leading melonic order. We find two solutions describing a high entropy, SYK black-hole-like phase and a low entropy one with trivial IR behavior. There is a line of first order phase transitions that terminates at a new critical point. Critical exponents are nonmean field and differ on the two sides of the transition. Interesting phenomena are also found in unstable and stable bosonic models, including Kazakov critical points and inconsistency of SYK-like solutions of the IR limit.

Perfect fluidity of a dissipative system: Analytical solution for the Boltzmann equation in AdS 2 Ⓧ S 2

DOE PAGES

Noronha, Jorge; Denicol, Gabriel S.

2015-12-30

In this paper we obtain an analytical solution of the relativistic Boltzmann equation under the relaxation time approximation that describes the out-of-equilibrium dynamics of a radially expanding massless gas. This solution is found by mapping this expanding system in flat spacetime to a static flow in the curved spacetime AdS 2 Ⓧ S 2. We further derive explicit analytic expressions for the momentum dependence of the single-particle distribution function as well as for the spatial dependence of its moments. We find that this dissipative system has the ability to flow as a perfect fluid even though its entropy density doesmore » not match the equilibrium form. The nonequilibrium contribution to the entropy density is shown to be due to higher-order scalar moments (which possess no hydrodynamical interpretation) of the Boltzmann equation that can remain out of equilibrium but do not couple to the energy-momentum tensor of the system. Furthermore, in this system the slowly moving hydrodynamic degrees of freedom can exhibit true perfect fluidity while being totally decoupled from the fast moving, nonhydrodynamical microscopic degrees of freedom that lead to entropy production.« less

On the nature of the excess heat capacity of mixing

NASA Astrophysics Data System (ADS)

Benisek, Artur; Dachs, Edgar

2011-03-01

The excess vibrational entropy (Δ S {vib/ex}) of several silicate solid solutions are found to be linearly correlated with the differences in end-member volumes (Δ V i ) and end-member bulk moduli (Δκ i ). If a substitution produces both, larger and elastically stiffer polyhedra, then the substituted ion will find itself in a strong enlarged structure. The frequency of its vibration is decreased because of the increase in bond lengths. Lowering of frequencies produces larger heat capacities, which give rise to positive excess vibrational entropies. If a substitution produces larger but elastically softer polyhedra, then increase and decrease of mean bond lengths may be similar in magnitude and their effect on the vibrational entropy tends to be compensated. The empirical relationship between Δ S {vib/ex}, Δ V i and Δκ i , as described by Δ S {vib/ex} = (Δ V i + mΔκ i ) f, was calibrated on six silicate solid solutions (analbite-sanidine, pyrope-grossular, forsterite-fayalite, analbite-anorthite, anorthite-sanidine, CaTs-diopside) yielding m = 0.0246 and f = 2.926. It allows the prediction of Δ S {vib/ex} behaviour of a solid solution based on its volume and bulk moduli end-member data.

Quantifying the entropic cost of cellular growth control

NASA Astrophysics Data System (ADS)

De Martino, Daniele; Capuani, Fabrizio; De Martino, Andrea

2017-07-01

Viewing the ways a living cell can organize its metabolism as the phase space of a physical system, regulation can be seen as the ability to reduce the entropy of that space by selecting specific cellular configurations that are, in some sense, optimal. Here we quantify the amount of regulation required to control a cell's growth rate by a maximum-entropy approach to the space of underlying metabolic phenotypes, where a configuration corresponds to a metabolic flux pattern as described by genome-scale models. We link the mean growth rate achieved by a population of cells to the minimal amount of metabolic regulation needed to achieve it through a phase diagram that highlights how growth suppression can be as costly (in regulatory terms) as growth enhancement. Moreover, we provide an interpretation of the inverse temperature β controlling maximum-entropy distributions based on the underlying growth dynamics. Specifically, we show that the asymptotic value of β for a cell population can be expected to depend on (i) the carrying capacity of the environment, (ii) the initial size of the colony, and (iii) the probability distribution from which the inoculum was sampled. Results obtained for E. coli and human cells are found to be remarkably consistent with empirical evidence.

A comparative study on the mechanical energy of the normal, ACL, osteoarthritis, and Parkinson subjects.

PubMed

Bahreinizad, Hossein; Salimi Bani, Milad; Hasani, Mojtaba; Karimi, Mohammad Taghi; Sharifmoradi, Keyvan; Karimi, Alireza

2017-08-09

The influence of various musculoskeletal disorders has been evaluated using different kinetic and kinematic parameters. But the efficiency of walking can be evaluated by measuring the effort of the subject, or by other words the energy that is required to walk. The aim of this study was to identify mechanical energy differences between the normal and pathological groups. Four groups of 15 healthy subjects, 13 Parkinson subjects, 4 osteoarthritis subjects, and 4 ACL reconstructed subjects have participated in this study. The motions of foot, shank and thigh were recorded using a three dimensional motion analysis system. The kinetic, potential and total mechanical energy of each segment was calculated using 3D markers positions and anthropometric measurements. Maximum value and sample entropy of energies was compared between the normal and abnormal subjects. Maximum value of potential energy of OA subjects was lower than the normal subjects. Furthermore, sample entropy of mechanical energy for Parkinson subjects was low in comparison to the normal subjects while sample entropy of mechanical energy for the ACL subjects was higher than that of the normal subjects. Findings of this study suggested that the subjects with different abilities show different mechanical energy during walking.

Multi-GPU maximum entropy image synthesis for radio astronomy

NASA Astrophysics Data System (ADS)

Cárcamo, M.; Román, P. E.; Casassus, S.; Moral, V.; Rannou, F. R.

2018-01-01

The maximum entropy method (MEM) is a well known deconvolution technique in radio-interferometry. This method solves a non-linear optimization problem with an entropy regularization term. Other heuristics such as CLEAN are faster but highly user dependent. Nevertheless, MEM has the following advantages: it is unsupervised, it has a statistical basis, it has a better resolution and better image quality under certain conditions. This work presents a high performance GPU version of non-gridding MEM, which is tested using real and simulated data. We propose a single-GPU and a multi-GPU implementation for single and multi-spectral data, respectively. We also make use of the Peer-to-Peer and Unified Virtual Addressing features of newer GPUs which allows to exploit transparently and efficiently multiple GPUs. Several ALMA data sets are used to demonstrate the effectiveness in imaging and to evaluate GPU performance. The results show that a speedup from 1000 to 5000 times faster than a sequential version can be achieved, depending on data and image size. This allows to reconstruct the HD142527 CO(6-5) short baseline data set in 2.1 min, instead of 2.5 days that takes a sequential version on CPU.

Projected regression method for solving Fredholm integral equations arising in the analytic continuation problem of quantum physics

NASA Astrophysics Data System (ADS)

Arsenault, Louis-François; Neuberg, Richard; Hannah, Lauren A.; Millis, Andrew J.

2017-11-01

We present a supervised machine learning approach to the inversion of Fredholm integrals of the first kind as they arise, for example, in the analytic continuation problem of quantum many-body physics. The approach provides a natural regularization for the ill-conditioned inverse of the Fredholm kernel, as well as an efficient and stable treatment of constraints. The key observation is that the stability of the forward problem permits the construction of a large database of outputs for physically meaningful inputs. Applying machine learning to this database generates a regression function of controlled complexity, which returns approximate solutions for previously unseen inputs; the approximate solutions are then projected onto the subspace of functions satisfying relevant constraints. Under standard error metrics the method performs as well or better than the Maximum Entropy method for low input noise and is substantially more robust to increased input noise. We suggest that the methodology will be similarly effective for other problems involving a formally ill-conditioned inversion of an integral operator, provided that the forward problem can be efficiently solved.

Entropy of mixing calculations for compound forming liquid alloys in the hard sphere system

NASA Astrophysics Data System (ADS)

Singh, P.; Khanna, K. N.

1984-06-01

It is shown that the semi-empirical model proposed in a previous paper for the evaluation of the entropy of mixing of simple liquid metals alloys leads to accurate results for compound forming liquid alloys. The procedure is similar to that described for a regular solution. Numerical applications are made to NaGa, KPb and KT1 alloys.

Non-life insurance pricing: multi-agent model

NASA Astrophysics Data System (ADS)

Darooneh, A. H.

2004-11-01

We use the maximum entropy principle for the pricing of non-life insurance and recover the Bühlmann results for the economic premium principle. The concept of economic equilibrium is revised in this respect.

Maximum entropy principle for stationary states underpinned by stochastic thermodynamics.

PubMed

Ford, Ian J

2015-11-01

The selection of an equilibrium state by maximizing the entropy of a system, subject to certain constraints, is often powerfully motivated as an exercise in logical inference, a procedure where conclusions are reached on the basis of incomplete information. But such a framework can be more compelling if it is underpinned by dynamical arguments, and we show how this can be provided by stochastic thermodynamics, where an explicit link is made between the production of entropy and the stochastic dynamics of a system coupled to an environment. The separation of entropy production into three components allows us to select a stationary state by maximizing the change, averaged over all realizations of the motion, in the principal relaxational or nonadiabatic component, equivalent to requiring that this contribution to the entropy production should become time independent for all realizations. We show that this recovers the usual equilibrium probability density function (pdf) for a conservative system in an isothermal environment, as well as the stationary nonequilibrium pdf for a particle confined to a potential under nonisothermal conditions, and a particle subject to a constant nonconservative force under isothermal conditions. The two remaining components of entropy production account for a recently discussed thermodynamic anomaly between over- and underdamped treatments of the dynamics in the nonisothermal stationary state.

Bayesian Probability Theory

NASA Astrophysics Data System (ADS)

von der Linden, Wolfgang; Dose, Volker; von Toussaint, Udo

2014-06-01

Preface; Part I. Introduction: 1. The meaning of probability; 2. Basic definitions; 3. Bayesian inference; 4. Combinatrics; 5. Random walks; 6. Limit theorems; 7. Continuous distributions; 8. The central limit theorem; 9. Poisson processes and waiting times; Part II. Assigning Probabilities: 10. Transformation invariance; 11. Maximum entropy; 12. Qualified maximum entropy; 13. Global smoothness; Part III. Parameter Estimation: 14. Bayesian parameter estimation; 15. Frequentist parameter estimation; 16. The Cramer-Rao inequality; Part IV. Testing Hypotheses: 17. The Bayesian way; 18. The frequentist way; 19. Sampling distributions; 20. Bayesian vs frequentist hypothesis tests; Part V. Real World Applications: 21. Regression; 22. Inconsistent data; 23. Unrecognized signal contributions; 24. Change point problems; 25. Function estimation; 26. Integral equations; 27. Model selection; 28. Bayesian experimental design; Part VI. Probabilistic Numerical Techniques: 29. Numerical integration; 30. Monte Carlo methods; 31. Nested sampling; Appendixes; References; Index.

Halo-independence with quantified maximum entropy at DAMA/LIBRA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fowlie, Andrew, E-mail: andrew.j.fowlie@googlemail.com

2017-10-01

Using the DAMA/LIBRA anomaly as an example, we formalise the notion of halo-independence in the context of Bayesian statistics and quantified maximum entropy. We consider an infinite set of possible profiles, weighted by an entropic prior and constrained by a likelihood describing noisy measurements of modulated moments by DAMA/LIBRA. Assuming an isotropic dark matter (DM) profile in the galactic rest frame, we find the most plausible DM profiles and predictions for unmodulated signal rates at DAMA/LIBRA. The entropic prior contains an a priori unknown regularisation factor, β, that describes the strength of our conviction that the profile is approximately Maxwellian.more » By varying β, we smoothly interpolate between a halo-independent and a halo-dependent analysis, thus exploring the impact of prior information about the DM profile.« less

A measure of uncertainty regarding the interval constraint of normal mean elicited by two stages of a prior hierarchy.

PubMed

Kim, Hea-Jung

2014-01-01

This paper considers a hierarchical screened Gaussian model (HSGM) for Bayesian inference of normal models when an interval constraint in the mean parameter space needs to be incorporated in the modeling but when such a restriction is uncertain. An objective measure of the uncertainty, regarding the interval constraint, accounted for by using the HSGM is proposed for the Bayesian inference. For this purpose, we drive a maximum entropy prior of the normal mean, eliciting the uncertainty regarding the interval constraint, and then obtain the uncertainty measure by considering the relationship between the maximum entropy prior and the marginal prior of the normal mean in HSGM. Bayesian estimation procedure of HSGM is developed and two numerical illustrations pertaining to the properties of the uncertainty measure are provided.

Multi-Group Maximum Entropy Model for Translational Non-Equilibrium

NASA Technical Reports Server (NTRS)

Jayaraman, Vegnesh; Liu, Yen; Panesi, Marco

2017-01-01

The aim of the current work is to describe a new model for flows in translational non- equilibrium. Starting from the statistical description of a gas proposed by Boltzmann, the model relies on a domain decomposition technique in velocity space. Using the maximum entropy principle, the logarithm of the distribution function in each velocity sub-domain (group) is expressed with a power series in molecular velocity. New governing equations are obtained using the method of weighted residuals by taking the velocity moments of the Boltzmann equation. The model is applied to a spatially homogeneous Boltzmann equation with a Bhatnagar-Gross-Krook1(BGK) model collision operator and the relaxation of an initial non-equilibrium distribution to a Maxwellian is studied using the model. In addition, numerical results obtained using the model for a 1D shock tube problem are also reported.

Maximum entropy perception-action space: a Bayesian model of eye movement selection

NASA Astrophysics Data System (ADS)

Colas, Francis; Bessière, Pierre; Girard, Benoît

2011-03-01

In this article, we investigate the issue of the selection of eye movements in a free-eye Multiple Object Tracking task. We propose a Bayesian model of retinotopic maps with a complex logarithmic mapping. This model is structured in two parts: a representation of the visual scene, and a decision model based on the representation. We compare different decision models based on different features of the representation and we show that taking into account uncertainty helps predict the eye movements of subjects recorded in a psychophysics experiment. Finally, based on experimental data, we postulate that the complex logarithmic mapping has a functional relevance, as the density of objects in this space in more uniform than expected. This may indicate that the representation space and control strategies are such that the object density is of maximum entropy.

Estimation of typhoon rainfall in GaoPing River: A Multivariate Maximum Entropy Method

NASA Astrophysics Data System (ADS)

Pei-Jui, Wu; Hwa-Lung, Yu

2016-04-01

The heavy rainfall from typhoons is the main factor of the natural disaster in Taiwan, which causes the significant loss of human lives and properties. Statistically average 3.5 typhoons invade Taiwan every year, and the serious typhoon, Morakot in 2009, impacted Taiwan in recorded history. Because the duration, path and intensity of typhoon, also affect the temporal and spatial rainfall type in specific region , finding the characteristics of the typhoon rainfall type is advantageous when we try to estimate the quantity of rainfall. This study developed a rainfall prediction model and can be divided three parts. First, using the EEOF(extended empirical orthogonal function) to classify the typhoon events, and decompose the standard rainfall type of all stations of each typhoon event into the EOF and PC(principal component). So we can classify the typhoon events which vary similarly in temporally and spatially as the similar typhoon types. Next, according to the classification above, we construct the PDF(probability density function) in different space and time by means of using the multivariate maximum entropy from the first to forth moment statistically. Therefore, we can get the probability of each stations of each time. Final we use the BME(Bayesian Maximum Entropy method) to construct the typhoon rainfall prediction model , and to estimate the rainfall for the case of GaoPing river which located in south of Taiwan.This study could be useful for typhoon rainfall predictions in future and suitable to government for the typhoon disaster prevention .

How the Second Law of Thermodynamics Has Informed Ecosystem Ecology through Its History

NASA Astrophysics Data System (ADS)

Chapman, E. J.; Childers, D. L.; Vallino, J. J.

2014-12-01

Throughout the history of ecosystem ecology many attempts have been made to develop a general principle governing how systems develop and organize. We reviewed the historical developments that led to conceptualization of several goal-oriented principles in ecosystem ecology and the relationships among them. We focused our review on two prominent principles—the Maximum Power Principle and the Maximum Entropy Production Principle—and the literature that applies to both. While these principles have considerable conceptual overlap and both use concepts in physics (power and entropy), we found considerable differences in their historical development, the disciplines that apply these principles, and their adoption in the literature. We reviewed the literature using Web of Science keyword searches for the MPP, the MEPP, as well as for papers that cited pioneers in the MPP and the MEPP development. From the 6000 papers that our keyword searches returned, we limited our further meta-analysis to 32 papers by focusing on studies with a foundation in ecosystems research. Despite these seemingly disparate pasts, we concluded that the conceptual approaches of these two principles were more similar than dissimilar and that maximization of power in ecosystems occurs with maximum entropy production. We also found that these two principles have great potential to explain how systems develop, organize, and function, but there are no widely agreed upon theoretical derivations for the MEPP or the MPP, possibly hindering their broader use in ecological research. We end with recommendations for how ecosystems-level studies may better use these principles.

[Evaluation of a simplified index (spectral entropy) about sleep state of electrocardiogram recorded by a simplified polygraph, MemCalc-Makin2].

PubMed

Ohisa, Noriko; Ogawa, Hiromasa; Murayama, Nobuki; Yoshida, Katsumi

2010-02-01

Polysomnography (PSG) is the gold standard for the diagnosis of sleep apnea hypopnea syndrome (SAHS), but it takes time to analyze the PSG and PSG cannot be performed repeatedly because of efforts and costs. Therefore, simplified sleep respiratory disorder indices in which are reflected the PSG results are needed. The Memcalc method, which is a combination of the maximum entropy method for spectral analysis and the non-linear least squares method for fitting analysis (Makin2, Suwa Trust, Tokyo, Japan) has recently been developed. Spectral entropy which is derived by the Memcalc method might be useful to expressing the trend of time-series behavior. Spectral entropy of ECG which is calculated with the Memcalc method was evaluated by comparing to the PSG results. Obstructive SAS patients (n = 79) and control volanteer (n = 7) ECG was recorded using MemCalc-Makin2 (GMS) with PSG recording using Alice IV (Respironics) from 20:00 to 6:00. Spectral entropy of ECG, which was calculated every 2 seconds using the Memcalc method, was compared to sleep stages which were analyzed manually from PSG recordings. Spectral entropy value (-0.473 vs. -0.418, p < 0.05) were significantly increased in the OSAHS compared to the control. For the entropy cutoff level of -0.423, sensitivity and specificity for OSAHS were 86.1% and 71.4%, respectively, resulting in a receiver operating characteristic with an area under the curve of 0.837. The absolute value of entropy had inverse correlation with stage 3. Spectral entropy, which was calculated with Memcalc method, might be a possible index evaluating the quality of sleep.

Magnetocaloric effect in potassium doped lanthanum manganite perovskites prepared by a pyrophoric method

NASA Astrophysics Data System (ADS)

Das, Soma; Dey, T. K.

2006-08-01

The magnetocaloric effect (MCE) in fine grained perovskite manganites of the type La1-xKxMnO3 (0

High-Entropy Metal Diborides: A New Class of High-Entropy Materials and a New Type of Ultrahigh Temperature Ceramics

NASA Astrophysics Data System (ADS)

Gild, Joshua; Zhang, Yuanyao; Harrington, Tyler; Jiang, Sicong; Hu, Tao; Quinn, Matthew C.; Mellor, William M.; Zhou, Naixie; Vecchio, Kenneth; Luo, Jian

2016-11-01

Seven equimolar, five-component, metal diborides were fabricated via high-energy ball milling and spark plasma sintering. Six of them, including (Hf0.2Zr0.2Ta0.2Nb0.2Ti0.2)B2, (Hf0.2Zr0.2Ta0.2Mo0.2Ti0.2)B2, (Hf0.2Zr0.2Mo0.2Nb0.2Ti0.2)B2, (Hf0.2Mo0.2Ta0.2Nb0.2Ti0.2)B2, (Mo0.2Zr0.2Ta0.2Nb0.2Ti0.2)B2, and (Hf0.2Zr0.2Ta0.2Cr0.2Ti0.2)B2, possess virtually one solid-solution boride phase of the hexagonal AlB2 structure. Revised Hume-Rothery size-difference factors are used to rationalize the formation of high-entropy solid solutions in these metal diborides. Greater than 92% of the theoretical densities have been generally achieved with largely uniform compositions from nanoscale to microscale. Aberration-corrected scanning transmission electron microscopy (AC STEM), with high-angle annular dark-field and annular bright-field (HAADF and ABF) imaging and nanoscale compositional mapping, has been conducted to confirm the formation of 2-D high-entropy metal layers, separated by rigid 2-D boron nets, without any detectable layered segregation along the c-axis. These materials represent a new type of ultra-high temperature ceramics (UHTCs) as well as a new class of high-entropy materials, which not only exemplify the first high-entropy non-oxide ceramics (borides) fabricated but also possess a unique non-cubic (hexagonal) and layered (quasi-2D) high-entropy crystal structure that markedly differs from all those reported in prior studies. Initial property assessments show that both the hardness and the oxidation resistance of these high-entropy metal diborides are generally higher/better than the average performances of five individual metal diborides made by identical fabrication processing.

1/ f noise from the laws of thermodynamics for finite-size fluctuations.

PubMed

Chamberlin, Ralph V; Nasir, Derek M

2014-07-01

Computer simulations of the Ising model exhibit white noise if thermal fluctuations are governed by Boltzmann's factor alone; whereas we find that the same model exhibits 1/f noise if Boltzmann's factor is extended to include local alignment entropy to all orders. We show that this nonlinear correction maintains maximum entropy during equilibrium fluctuations. Indeed, as with the usual way to resolve Gibbs' paradox that avoids entropy reduction during reversible processes, the correction yields the statistics of indistinguishable particles. The correction also ensures conservation of energy if an instantaneous contribution from local entropy is included. Thus, a common mechanism for 1/f noise comes from assuming that finite-size fluctuations strictly obey the laws of thermodynamics, even in small parts of a large system. Empirical evidence for the model comes from its ability to match the measured temperature dependence of the spectral-density exponents in several metals and to show non-Gaussian fluctuations characteristic of nanoscale systems.

Entropy in an expanding universe.

PubMed

Frautschi, S

1982-08-13

The question of how the observed evolution of organized structures from initial chaos in the expanding universe can be reconciled with the laws of statistical mechanics is studied, with emphasis on effects of the expansion and gravity. Some major sources of entropy increase are listed. An expanding "causal" region is defined in which the entropy, though increasing, tends to fall further and further behind its maximum possible value, thus allowing for the development of order. The related questions of whether entropy will continue increasing without limit in the future, and whether such increase in the form of Hawking radiation or radiation from positronium might enable life to maintain itself permanently, are considered. Attempts to find a scheme for preserving life based on solid structures fail because events such as quantum tunneling recurrently disorganize matter on a very long but fixed time scale, whereas all energy sources slow down progressively in an expanding universe. However, there remains hope that other modes of life capable of maintaining themselves permanently can be found.

Quantum and Ecosystem Entropies

NASA Astrophysics Data System (ADS)

Kirwan, A. D.

2008-06-01

Ecosystems and quantum gases share a number of superficial similarities including enormous numbers of interacting elements and the fundamental role of energy in such interactions. A theory for the synthesis of data and prediction of new phenomena is well established in quantum statistical mechanics. The premise of this paper is that the reason a comparable unifying theory has not emerged in ecology is that a proper role for entropy has yet to be assigned. To this end, a phase space entropy model of ecosystems is developed. Specification of an ecosystem phase space cell size based on microbial mass, length, and time scales gives an ecosystem uncertainty parameter only about three orders of magnitude larger than Planck’s constant. Ecosystem equilibria is specified by conservation of biomass and total metabolic energy, along with the principle of maximum entropy at equilibria. Both Bose - Einstein and Fermi - Dirac equilibrium conditions arise in ecosystems applications. The paper concludes with a discussion of some broader aspects of an ecosystem phase space.

Application of digital image processing techniques to astronomical imagery 1980

NASA Technical Reports Server (NTRS)

Lorre, J. J.

1981-01-01

Topics include: (1) polar coordinate transformations (M83); (2) multispectral ratios (M82); (3) maximum entropy restoration (M87); (4) automated computation of stellar magnitudes in nebulosity; (5) color and polarization; (6) aliasing.

Nonextensivity in a Dark Maximum Entropy Landscape

NASA Astrophysics Data System (ADS)

Leubner, M. P.

2011-03-01

Nonextensive statistics along with network science, an emerging branch of graph theory, are increasingly recognized as potential interdisciplinary frameworks whenever systems are subject to long-range interactions and memory. Such settings are characterized by non-local interactions evolving in a non-Euclidean fractal/multi-fractal space-time making their behavior nonextensive. After summarizing the theoretical foundations from first principles, along with a discussion of entropy bifurcation and duality in nonextensive systems, we focus on selected significant astrophysical consequences. Those include the gravitational equilibria of dark matter (DM) and hot gas in clustered structures, the dark energy(DE) negative pressure landscape governed by the highest degree of mutual correlations and the hierarchy of discrete cosmic structure scales, available upon extremizing the generalized nonextensive link entropy in a homogeneous growing network.

Using the principle of entropy maximization to infer genetic interaction networks from gene expression patterns.

PubMed

Lezon, Timothy R; Banavar, Jayanth R; Cieplak, Marek; Maritan, Amos; Fedoroff, Nina V

2006-12-12

We describe a method based on the principle of entropy maximization to identify the gene interaction network with the highest probability of giving rise to experimentally observed transcript profiles. In its simplest form, the method yields the pairwise gene interaction network, but it can also be extended to deduce higher-order interactions. Analysis of microarray data from genes in Saccharomyces cerevisiae chemostat cultures exhibiting energy metabolic oscillations identifies a gene interaction network that reflects the intracellular communication pathways that adjust cellular metabolic activity and cell division to the limiting nutrient conditions that trigger metabolic oscillations. The success of the present approach in extracting meaningful genetic connections suggests that the maximum entropy principle is a useful concept for understanding living systems, as it is for other complex, nonequilibrium systems.

Entropy, Ergodicity, and Stem Cell Multipotency

NASA Astrophysics Data System (ADS)

Ridden, Sonya J.; Chang, Hannah H.; Zygalakis, Konstantinos C.; MacArthur, Ben D.

2015-11-01

Populations of mammalian stem cells commonly exhibit considerable cell-cell variability. However, the functional role of this diversity is unclear. Here, we analyze expression fluctuations of the stem cell surface marker Sca1 in mouse hematopoietic progenitor cells using a simple stochastic model and find that the observed dynamics naturally lie close to a critical state, thereby producing a diverse population that is able to respond rapidly to environmental changes. We propose an information-theoretic interpretation of these results that views cellular multipotency as an instance of maximum entropy statistical inference.

Nonequilibrium-thermodynamics approach to open quantum systems

NASA Astrophysics Data System (ADS)

Semin, Vitalii; Petruccione, Francesco

2014-11-01

Open quantum systems are studied from the thermodynamical point of view unifying the principle of maximum informational entropy and the hypothesis of relaxation times hierarchy. The result of the unification is a non-Markovian and local-in-time master equation that provides a direct connection for dynamical and thermodynamical properties of open quantum systems. The power of the approach is illustrated by the application to the damped harmonic oscillator and the damped driven two-level system, resulting in analytical expressions for the non-Markovian and nonequilibrium entropy and inverse temperature.

Third law of thermodynamics in the presence of a heat flux

DOE Office of Scientific and Technical Information (OSTI.GOV)

Camacho, J.

1995-01-01

Following a maximum entropy formalism, we study a one-dimensional crystal under a heat flux. We obtain the phonon distribution function and evaluate the nonequilibrium temperature, the specific heat, and the entropy as functions of the internal energy and the heat flux, in both the quantum and the classical limits. Some analogies between the behavior of equilibrium systems at low absolute temperature and nonequilibrium steady states under high values of the heat flux are shown, which point to a possible generalization of the third law in nonequilibrium situations.

The existence of negative absolute temperatures in Axelrod’s social influence model

NASA Astrophysics Data System (ADS)

Villegas-Febres, J. C.; Olivares-Rivas, W.

2008-06-01

We introduce the concept of temperature as an order parameter in the standard Axelrod’s social influence model. It is defined as the relation between suitably defined entropy and energy functions, T=(. We show that at the critical point, where the order/disorder transition occurs, this absolute temperature changes in sign. At this point, which corresponds to the transition homogeneous/heterogeneous culture, the entropy of the system shows a maximum. We discuss the relationship between the temperature and other properties of the model in terms of cultural traits.

Entropy Generation Analysis in Convective Ferromagnetic Nano Blood Flow Through a Composite Stenosed Arteries with Permeable Wall

NASA Astrophysics Data System (ADS)

Sher Akbar, Noreen; Wahid Butt, Adil

2017-05-01

The study of heat transfer is of significant importance in many biological and biomedical industry problems. This investigation comprises of the study of entropy generation analysis of the blood flow in the arteries with permeable walls. The convection through the flow is studied with compliments to the entropy generation. Governing problem is formulized and solved for low Reynold’s number and long wavelength approximations. Exact analytical solutions have been obtained and are analyzed graphically. It is seen that temperature for pure water is lower as compared to the copper water. It gains magnitude with an increase in the slip parameter.

Viscous regularization of the full set of nonequilibrium-diffusion Grey Radiation-Hydrodynamic equations

DOE PAGES

Delchini, Marc O.; Ragusa, Jean C.; Ferguson, Jim

2017-02-17

A viscous regularization technique, based on the local entropy residual, was proposed by Delchini et al. (2015) to stabilize the nonequilibrium-diffusion Grey Radiation-Hydrodynamic equations using an artificial viscosity technique. This viscous regularization is modulated by the local entropy production and is consistent with the entropy minimum principle. However, Delchini et al. (2015) only based their work on the hyperbolic parts of the Grey Radiation-Hydrodynamic equations and thus omitted the relaxation and diffusion terms present in the material energy and radiation energy equations. Here in this paper, we extend the theoretical grounds for the method and derive an entropy minimum principlemore » for the full set of nonequilibrium-diffusion Grey Radiation-Hydrodynamic equations. This further strengthens the applicability of the entropy viscosity method as a stabilization technique for radiation-hydrodynamic shock simulations. Radiative shock calculations using constant and temperature-dependent opacities are compared against semi-analytical reference solutions, and we present a procedure to perform spatial convergence studies of such simulations.« less

Entropy of uremia and dialysis technology.

PubMed

Ronco, Claudio

2013-01-01

The second law of thermodynamics applies with local exceptions to patient history and therapy interventions. Living things preserve their low level of entropy throughout time because they receive energy from their surroundings in the form of food. They gain their order at the expense of disordering the nutrients they consume. Death is the thermodynamically favored state: it represents a large increase in entropy as molecular structure yields to chaos. The kidney is an organ dissipating large amounts of energy to maintain the level of entropy of the organism as low as possible. Diseases, and in particular uremia, represent conditions of rapid increase in entropy. Therapeutic strategies are oriented towards a reduction in entropy or at least a decrease in the speed of entropy increase. Uremia is a process accelerating the trend towards randomness and disorder (increase in entropy). Dialysis is a factor external to the patient that tends to reduce the level of entropy caused by kidney disease. Since entropy can only increase in closed systems, energy and work must be spent to limit the entropy of uremia. This energy should be adapted to the system (patient) and be specifically oriented and personalized. This includes a multidimensional effort to achieve an adequate dialysis that goes beyond small molecular weight solute clearance. It includes a biological plan for recovery of homeostasis and a strategy towards long-term rehabilitation of the patient. Such objectives can be achieved with a combination of technology and innovation to answer specific questions that are still present after 60 years of dialysis history. This change in the individual bioentropy may represent a local exception to natural trends as the patient could be considered an isolated universe responding to the classic laws of thermodynamics. Copyright © 2013 S. Karger AG, Basel.

The concept of entropy in landscape evolution

USGS Publications Warehouse

Leopold, Luna Bergere; Langbein, Walter Basil

1962-01-01

The concept of entropy is expressed in terms of probability of various states. Entropy treats of the distribution of energy. The principle is introduced that the most probable condition exists when energy in a river system is as uniformly distributed as may be permitted by physical constraints. From these general considerations equations for the longitudinal profiles of rivers are derived that are mathematically comparable to those observed in the field. The most probable river profiles approach the condition in which the downstream rate of production of entropy per unit mass is constant. Hydraulic equations are insufficient to determine the velocity, depths, and slopes of rivers that are themselves authors of their own hydraulic geometries. A solution becomes possible by introducing the concept that the distribution of energy tends toward the most probable. This solution leads to a theoretical definition of the hydraulic geometry of river channels that agrees closely with field observations. The most probable state for certain physical systems can also be illustrated by random-walk models. Average longitudinal profiles and drainage networks were so derived and these have the properties implied by the theory. The drainage networks derived from random walks have some of the principal properties demonstrated by the Horton analysis; specifically, the logarithms of stream length and stream numbers are proportional to stream order.

Entropy of spatial network ensembles

NASA Astrophysics Data System (ADS)

Coon, Justin P.; Dettmann, Carl P.; Georgiou, Orestis

2018-04-01

We analyze complexity in spatial network ensembles through the lens of graph entropy. Mathematically, we model a spatial network as a soft random geometric graph, i.e., a graph with two sources of randomness, namely nodes located randomly in space and links formed independently between pairs of nodes with probability given by a specified function (the "pair connection function") of their mutual distance. We consider the general case where randomness arises in node positions as well as pairwise connections (i.e., for a given pair distance, the corresponding edge state is a random variable). Classical random geometric graph and exponential graph models can be recovered in certain limits. We derive a simple bound for the entropy of a spatial network ensemble and calculate the conditional entropy of an ensemble given the node location distribution for hard and soft (probabilistic) pair connection functions. Under this formalism, we derive the connection function that yields maximum entropy under general constraints. Finally, we apply our analytical framework to study two practical examples: ad hoc wireless networks and the US flight network. Through the study of these examples, we illustrate that both exhibit properties that are indicative of nearly maximally entropic ensembles.

Minimum relative entropy distributions with a large mean are Gaussian

NASA Astrophysics Data System (ADS)

Smerlak, Matteo

2016-12-01

Entropy optimization principles are versatile tools with wide-ranging applications from statistical physics to engineering to ecology. Here we consider the following constrained problem: Given a prior probability distribution q , find the posterior distribution p minimizing the relative entropy (also known as the Kullback-Leibler divergence) with respect to q under the constraint that mean (p ) is fixed and large. We show that solutions to this problem are approximately Gaussian. We discuss two applications of this result. In the context of dissipative dynamics, the equilibrium distribution of a Brownian particle confined in a strong external field is independent of the shape of the confining potential. We also derive an H -type theorem for evolutionary dynamics: The entropy of the (standardized) distribution of fitness of a population evolving under natural selection is eventually increasing in time.

Deviation from high-entropy configurations in the atomic distributions of a multi-principal-element alloy

DOE PAGES

Santodonato, Louis J.; Zhang, Yang; Feygenson, Mikhail; ...

2015-01-20

The alloy-design strategy of combining multiple elements in near-equimolar ratios has shown great potential for producing exceptional engineering materials, often known as “high-entropy alloys”. Understanding the elemental distribution, and, thus, the evolution of the configurational entropy during solidification, is undertaken in the present study using the Al 1.3CoCrCuFeNi model alloy. Here we show that even when the material undergoes elemental segregation, precipitation, chemical ordering, and spinodal decomposition, a significant amount of disorder remains, due to the distributions of multiple elements in the major phases. In addition, the results suggest that the high-entropy-alloy-design strategy may be applied to a wide rangemore » of complex materials, and should not be limited to the goal of creating single-phase solid solutions.« less

Quantum Discord for d⊗2 Systems

PubMed Central

Ma, Zhihao; Chen, Zhihua; Fanchini, Felipe Fernandes; Fei, Shao-Ming

2015-01-01

We present an analytical solution for classical correlation, defined in terms of linear entropy, in an arbitrary system when the second subsystem is measured. We show that the optimal measurements used in the maximization of the classical correlation in terms of linear entropy, when used to calculate the quantum discord in terms of von Neumann entropy, result in a tight upper bound for arbitrary systems. This bound agrees with all known analytical results about quantum discord in terms of von Neumann entropy and, when comparing it with the numerical results for 106 two-qubit random density matrices, we obtain an average deviation of order 10−4. Furthermore, our results give a way to calculate the quantum discord for arbitrary n-qubit GHZ and W states evolving under the action of the amplitude damping noisy channel. PMID:26036771

Thermodynamics of "exotic" Bañados-Teitelboim-Zanelli black holes.

PubMed

Townsend, Paul K; Zhang, Baocheng

2013-06-14

A number of three-dimensional (3D) gravity models, such as 3D conformal gravity, admit "exotic" black hole solutions: the metric is the same as the Bañados-Teitelboim-Zanelli metric of 3D Einstein gravity but with reversed roles for mass and angular momentum, and an entropy proportional to the length of the inner horizon instead of the event horizon. Here we show that the Bañados-Teitelboim-Zanelli solutions of the exotic 3D Einstein gravity (with parity-odd action but Einstein field equations) are exotic black holes, and we investigate their thermodynamics. The first and second laws of black hole thermodynamics still apply, and the entropy still has a statistical interpretation.

Localization Accuracy of Distributed Inverse Solutions for Electric and Magnetic Source Imaging of Interictal Epileptic Discharges in Patients with Focal Epilepsy.

PubMed

Heers, Marcel; Chowdhury, Rasheda A; Hedrich, Tanguy; Dubeau, François; Hall, Jeffery A; Lina, Jean-Marc; Grova, Christophe; Kobayashi, Eliane

2016-01-01

Distributed inverse solutions aim to realistically reconstruct the origin of interictal epileptic discharges (IEDs) from noninvasively recorded electroencephalography (EEG) and magnetoencephalography (MEG) signals. Our aim was to compare the performance of different distributed inverse solutions in localizing IEDs: coherent maximum entropy on the mean (cMEM), hierarchical Bayesian implementations of independent identically distributed sources (IID, minimum norm prior) and spatially coherent sources (COH, spatial smoothness prior). Source maxima (i.e., the vertex with the maximum source amplitude) of IEDs in 14 EEG and 19 MEG studies from 15 patients with focal epilepsy were analyzed. We visually compared their concordance with intracranial EEG (iEEG) based on 17 cortical regions of interest and their spatial dispersion around source maxima. Magnetic source imaging (MSI) maxima from cMEM were most often confirmed by iEEG (cMEM: 14/19, COH: 9/19, IID: 8/19 studies). COH electric source imaging (ESI) maxima co-localized best with iEEG (cMEM: 8/14, COH: 11/14, IID: 10/14 studies). In addition, cMEM was less spatially spread than COH and IID for ESI and MSI (p < 0.001 Bonferroni-corrected post hoc t test). Highest positive predictive values for cortical regions with IEDs in iEEG could be obtained with cMEM for MSI and with COH for ESI. Additional realistic EEG/MEG simulations confirmed our findings. Accurate spatially extended sources, as found in cMEM (ESI and MSI) and COH (ESI) are desirable for source imaging of IEDs because this might influence surgical decision. Our simulations suggest that COH and IID overestimate the spatial extent of the generators compared to cMEM.

Continued-fraction representation of the Kraus map for non-Markovian reservoir damping

NASA Astrophysics Data System (ADS)

van Wonderen, A. J.; Suttorp, L. G.

2018-04-01

Quantum dissipation is studied for a discrete system that linearly interacts with a reservoir of harmonic oscillators at thermal equilibrium. Initial correlations between system and reservoir are assumed to be absent. The dissipative dynamics as determined by the unitary evolution of system and reservoir is described by a Kraus map consisting of an infinite number of matrices. For all Laplace-transformed Kraus matrices exact solutions are constructed in terms of continued fractions that depend on the pair correlation functions of the reservoir. By performing factorizations in the Kraus map a perturbation theory is set up that conserves in arbitrary perturbative order both positivity and probability of the density matrix. The latter is determined by an integral equation for a bitemporal matrix and a finite hierarchy for Kraus matrices. In the lowest perturbative order this hierarchy reduces to one equation for one Kraus matrix. Its solution is given by a continued fraction of a much simpler structure as compared to the non-perturbative case. In the lowest perturbative order our non-Markovian evolution equations are applied to the damped Jaynes–Cummings model. From the solution for the atomic density matrix it is found that the atom may remain in the state of maximum entropy for a significant time span that depends on the initial energy of the radiation field.

Use of Electrochemical Noise (EN) Technique to Study the Effect of sulfate and Chloride Ions on Passivation and Pitting Corrosion Behavior of 316 Stainless Steel

NASA Astrophysics Data System (ADS)

Pujar, M. G.; Anita, T.; Shaikh, H.; Dayal, R. K.; Khatak, H. S.

2007-08-01

In the present paper, studies were conducted on AISI Type 316 stainless steel (SS) in deaerated solutions of sodium sulfate as well as sodium chloride to establish the effect of sulfate and chloride ions on the electrochemical corrosion behavior of the material. The experiments were conducted in deaerated solutions of 0.5 M sodium sulfate as well as 0.5 M sodium chloride using electrochemical noise (EN) technique at open circuit potential (OCP) to collect the correlated current and potential signals. Visual records of the current and potential, analysis of data to arrive at the statistical parameters, spectral density estimation using the maximum entropy method (MEM) showed that sulfate ions were incorporated in the passive film to strengthen the same. However, the adsorption of chloride ions resulted in pitting corrosion thereby adversely affecting noise resistance ( R N). Distinct current and potential signals were observed for metastable pitting, stable pitting and passive film build-up. Distinct changes in the values of the statistical parameters like R N and the spectral noise resistance at zero frequency ( R°SN) revealed adsorption and incorporation of sulfate and chloride ions on the passive film/solution interface.

Indian jujuba seed powder as an eco-friendly and a low-cost biosorbent for removal of acid blue 25 from aqueous solution.

PubMed

Krishna, L Sivarama; Reddy, A Sreenath; Zuhairi, W Y Wan; Taha, M R; Reddy, A Varada

2014-01-01

Indian jujuba seed powder (IJSP) has been investigated as a low-cost and an eco-friendly biosorbent, prepared for the removal of Acid Blue 25 (AB25) from aqueous solution. The prepared biomaterial was characterized by using FTIR and scanning electron microscopic studies. The effect of operation variables, such as IJSP dosage, contact time, concentration, pH, and temperature on the removal of AB25 was investigated, using batch biosorption technique. Removal efficiency increased with increase of IJSP dosage but decreased with increase of temperature. The equilibrium data were analyzed by the Langmuir and the Freundlich isotherm models. The data fitted well with the Langmuir model with a maximum biosorption capacity of 54.95 mg g(-1). The pseudo-second-order kinetics was the best for the biosorption of AB25 by IJSP, with good correlation. Thermodynamic parameters such as standard free energy change (ΔG(0)), standard enthalpy changes (ΔH(0)), and standard entropy changes (ΔS(0)) were analyzed. The removal of AB25 from aqueous solution by IJSP was a spontaneous and exothermic adsorption process. The results suggest that IJSP is a potential low-cost and an eco-friendly biosorbent for the AB25 removal from synthetic AB25 wastewater.

Indian Jujuba Seed Powder as an Eco-Friendly and a Low-Cost Biosorbent for Removal of Acid Blue 25 from Aqueous Solution

PubMed Central

Krishna, L. Sivarama; Reddy, A. Sreenath; Zuhairi, W. Y. Wan; Taha, M. R.; Reddy, A. Varada

2014-01-01

Indian jujuba seed powder (IJSP) has been investigated as a low-cost and an eco-friendly biosorbent, prepared for the removal of Acid Blue 25 (AB25) from aqueous solution. The prepared biomaterial was characterized by using FTIR and scanning electron microscopic studies. The effect of operation variables, such as IJSP dosage, contact time, concentration, pH, and temperature on the removal of AB25 was investigated, using batch biosorption technique. Removal efficiency increased with increase of IJSP dosage but decreased with increase of temperature. The equilibrium data were analyzed by the Langmuir and the Freundlich isotherm models. The data fitted well with the Langmuir model with a maximum biosorption capacity of 54.95 mg g−1. The pseudo-second-order kinetics was the best for the biosorption of AB25 by IJSP, with good correlation. Thermodynamic parameters such as standard free energy change (ΔG 0), standard enthalpy changes (ΔH 0), and standard entropy changes (ΔS 0) were analyzed. The removal of AB25 from aqueous solution by IJSP was a spontaneous and exothermic adsorption process. The results suggest that IJSP is a potential low-cost and an eco-friendly biosorbent for the AB25 removal from synthetic AB25 wastewater. PMID:25383360

Efficient reliability analysis of structures with the rotational quasi-symmetric point- and the maximum entropy methods

NASA Astrophysics Data System (ADS)

Xu, Jun; Dang, Chao; Kong, Fan

2017-10-01

This paper presents a new method for efficient structural reliability analysis. In this method, a rotational quasi-symmetric point method (RQ-SPM) is proposed for evaluating the fractional moments of the performance function. Then, the derivation of the performance function's probability density function (PDF) is carried out based on the maximum entropy method in which constraints are specified in terms of fractional moments. In this regard, the probability of failure can be obtained by a simple integral over the performance function's PDF. Six examples, including a finite element-based reliability analysis and a dynamic system with strong nonlinearity, are used to illustrate the efficacy of the proposed method. All the computed results are compared with those by Monte Carlo simulation (MCS). It is found that the proposed method can provide very accurate results with low computational effort.

Application of the maximum entropy principle to determine ensembles of intrinsically disordered proteins from residual dipolar couplings.

PubMed

Sanchez-Martinez, M; Crehuet, R

2014-12-21

We present a method based on the maximum entropy principle that can re-weight an ensemble of protein structures based on data from residual dipolar couplings (RDCs). The RDCs of intrinsically disordered proteins (IDPs) provide information on the secondary structure elements present in an ensemble; however even two sets of RDCs are not enough to fully determine the distribution of conformations, and the force field used to generate the structures has a pervasive influence on the refined ensemble. Two physics-based coarse-grained force fields, Profasi and Campari, are able to predict the secondary structure elements present in an IDP, but even after including the RDC data, the re-weighted ensembles differ between both force fields. Thus the spread of IDP ensembles highlights the need for better force fields. We distribute our algorithm in an open-source Python code.

Image reconstruction of IRAS survey scans

NASA Technical Reports Server (NTRS)

Bontekoe, Tj. Romke

1990-01-01

The IRAS survey data can be used successfully to produce images of extended objects. The major difficulties, viz. non-uniform sampling, different response functions for each detector, and varying signal-to-noise levels for each detector for each scan, were resolved. The results of three different image construction techniques are compared: co-addition, constrained least squares, and maximum entropy. The maximum entropy result is superior. An image of the galaxy M51 with an average spatial resolution of 45 arc seconds is presented, using 60 micron survey data. This exceeds the telescope diffraction limit of 1 minute of arc, at this wavelength. Data fusion is a proposed method for combining data from different instruments, with different spacial resolutions, at different wavelengths. Data estimates of the physical parameters, temperature, density and composition, can be made from the data without prior image (re-)construction. An increase in the accuracy of these parameters is expected as the result of this more systematic approach.

Test images for the maximum entropy image restoration method

NASA Technical Reports Server (NTRS)

Mackey, James E.

1990-01-01

One of the major activities of any experimentalist is data analysis and reduction. In solar physics, remote observations are made of the sun in a variety of wavelengths and circumstances. In no case is the data collected free from the influence of the design and operation of the data gathering instrument as well as the ever present problem of noise. The presence of significant noise invalidates the simple inversion procedure regardless of the range of known correlation functions. The Maximum Entropy Method (MEM) attempts to perform this inversion by making minimal assumptions about the data. To provide a means of testing the MEM and characterizing its sensitivity to noise, choice of point spread function, type of data, etc., one would like to have test images of known characteristics that can represent the type of data being analyzed. A means of reconstructing these images is presented.

Efficacy of mangrove leaf powder for bioremediation of chromium (VI) from aqueous solutions: kinetic and thermodynamic evaluation

NASA Astrophysics Data System (ADS)

Sathish, Thadikamala; Vinithkumar, N. V.; Dharani, G.; Kirubagaran, R.

2015-06-01

Biosorption of heavy metals by bio-materials has been posited as a potential alternative to the existing physicochemical technologies for detoxification and recovery of toxic and valuable metals from wastewaters. In this context, the role of mangrove leaf powder (MLP) as biosorbent for chromium removal was investigated. In the present study, the effect of process parameters such as particle size, solution pH, initial concentration of Cr(VI) ion and adsorbent dose on chromium removal by MLP was investigated. The maximum sorption was observed at particle size 0.5 mm and pH 2.0. The adsorption data follow the pseudo second-order kinetics model. The isotherms denote that Langmuir model is the best fitted than Freundlich model. The maximum adsorption capacity ( Q 0) of 60.24 mg/g of Cr(VI) at 30 min on MLP was determined using the Langmuir model. The adsorption isotherm model indicates that the chromium is adsorbing as monolayer on the surface of MLP with heterogeneous energetic distribution of active sites. Various thermodynamic parameters, such as Gibb's free energy (∆ G °), enthalpy (∆ H °) and entropy (∆ S °) have been calculated. The thermodynamic data revealed that the adsorption of chromium ions onto MLP is endothermic in nature and a spontaneous process. The results of the present study suggest that MLP is an effective bioremediation measure for removal of high concentration of Cr(VI) in waste waters.

Geological entropy and solute transport in heterogeneous porous media

NASA Astrophysics Data System (ADS)

Bianchi, Marco; Pedretti, Daniele

2017-06-01

We propose a novel approach to link solute transport behavior to the physical heterogeneity of the aquifer, which we fully characterize with two measurable parameters: the variance of the log K values (σY2), and a new indicator (HR) that integrates multiple properties of the K field into a global measure of spatial disorder or geological entropy. From the results of a detailed numerical experiment considering solute transport in K fields representing realistic distributions of hydrofacies in alluvial aquifers, we identify empirical relationship between the two parameters and the first three central moments of the distributions of arrival times of solute particles at a selected control plane. The analysis of experimental data indicates that the mean and the variance of the solutes arrival times tend to increase with spatial disorder (i.e., HR increasing), while highly skewed distributions are observed in more orderly structures (i.e., HR decreasing) or at higher σY2. We found that simple closed-form empirical expressions of the bivariate dependency of skewness on HR and σY2 can be used to predict the emergence of non-Fickian transport in K fields considering a range of structures and heterogeneity levels, some of which based on documented real aquifers. The accuracy of these predictions and in general the results from this study indicate that a description of the global variability and structure of the K field in terms of variance and geological entropy offers a valid and broadly applicable approach for the interpretation and prediction of transport in heterogeneous porous media.

The thermodynamic parameters of solution of L-phenylalanine in water

NASA Astrophysics Data System (ADS)

Kustov, A. V.; Korolev, V. P.

2007-02-01

The heat effects of solution of L-phenylalanine in water were measured over wide concentration and temperature ranges. The enthalpies of solution of L-phenylalanine were found to be independent of the content of the amino acid in solution over the concentration range studied. The standard enthalpies, heat capacities, and entropies of solution of the amino acid and the solubility of L-phenylalanine over the temperature range studied were calculated.

FRW Solutions and Holography from Uplifted AdS/CFT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dong, Xi; Horn, Bart; /Stanford U., ITP /Stanford U., Phys. Dept. /SLAC

2012-02-15

Starting from concrete AdS/CFT dual pairs, one can introduce ingredients which produce cosmological solutions, including metastable de Sitter and its decay to non-accelerating FRW. We present simple FRW solutions sourced by magnetic flavor branes and analyze correlation functions and particle and brane dynamics. To obtain a holographic description, we exhibit a time-dependent warped metric on the solution and interpret the resulting redshifted region as a Lorentzian low energy effective field theory in one fewer dimension. At finite times, this theory has a finite cutoff, a propagating lower dimensional graviton and a finite covariant entropy bound, but at late times themore » lower dimensional Planck mass and entropy go off to infinity in a way that is dominated by contributions from the low energy effective theory. This opens up the possibility of a precise dual at late times. We reproduce the time-dependent growth of the number of degrees of freedom in the system via a count of available microscopic states in the corresponding magnetic brane construction.« less

Design of high-strength refractory complex solid-solution alloys

DOE PAGES

Singh, Prashant; Sharma, Aayush; Smirnov, A. V.; ...

2018-03-28

Nickel-based superalloys and near-equiatomic high-entropy alloys containing molybdenum are known for higher temperature strength and corrosion resistance. Yet, complex solid-solution alloys offer a huge design space to tune for optimal properties at slightly reduced entropy. For refractory Mo-W-Ta-Ti-Zr, we showcase KKR electronic structure methods via the coherent-potential approximation to identify alloys over five-dimensional design space with improved mechanical properties and necessary global (formation enthalpy) and local (short-range order) stability. Deformation is modeled with classical molecular dynamic simulations, validated from our first-principle data. We predict complex solid-solution alloys of improved stability with greatly enhanced modulus of elasticity (3× at 300 K)more » over near-equiatomic cases, as validated experimentally, and with higher moduli above 500 K over commercial alloys (2.3× at 2000 K). We also show that optimal complex solid-solution alloys are not described well by classical potentials due to critical electronic effects.« less

Design of high-strength refractory complex solid-solution alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Prashant; Sharma, Aayush; Smirnov, A. V.

Nickel-based superalloys and near-equiatomic high-entropy alloys containing molybdenum are known for higher temperature strength and corrosion resistance. Yet, complex solid-solution alloys offer a huge design space to tune for optimal properties at slightly reduced entropy. For refractory Mo-W-Ta-Ti-Zr, we showcase KKR electronic structure methods via the coherent-potential approximation to identify alloys over five-dimensional design space with improved mechanical properties and necessary global (formation enthalpy) and local (short-range order) stability. Deformation is modeled with classical molecular dynamic simulations, validated from our first-principle data. We predict complex solid-solution alloys of improved stability with greatly enhanced modulus of elasticity (3× at 300 K)more » over near-equiatomic cases, as validated experimentally, and with higher moduli above 500 K over commercial alloys (2.3× at 2000 K). We also show that optimal complex solid-solution alloys are not described well by classical potentials due to critical electronic effects.« less

FRW solutions and holography from uplifted AdS/CFT systems

NASA Astrophysics Data System (ADS)

Dong, Xi; Horn, Bart; Matsuura, Shunji; Silverstein, Eva; Torroba, Gonzalo

2012-05-01

Starting from concrete AdS/CFT dual pairs, one can introduce ingredients which produce cosmological solutions, including metastable de Sitter and its decay to nonaccelerating Friedmann-Robertson-Walker. We present simple Friedmann-Robertson-Walker solutions sourced by magnetic flavor branes and analyze correlation functions and particle and brane dynamics. To obtain a holographic description, we exhibit a time-dependent warped metric on the solution and interpret the resulting redshifted region as a Lorentzian low energy effective field theory in one fewer dimension. At finite times, this theory has a finite cutoff, a propagating lower-dimensional graviton, and a finite covariant entropy bound, but at late times the lower-dimensional Planck mass and entropy go off to infinity in a way that is dominated by contributions from the low energy effective theory. This opens up the possibility of a precise dual at late times. We reproduce the time-dependent growth of the number of degrees of freedom in the system via a count of available microscopic states in the corresponding magnetic brane construction.

Inference of missing data and chemical model parameters using experimental statistics

NASA Astrophysics Data System (ADS)

Casey, Tiernan; Najm, Habib

2017-11-01

A method for determining the joint parameter density of Arrhenius rate expressions through the inference of missing experimental data is presented. This approach proposes noisy hypothetical data sets from target experiments and accepts those which agree with the reported statistics, in the form of nominal parameter values and their associated uncertainties. The data exploration procedure is formalized using Bayesian inference, employing maximum entropy and approximate Bayesian computation methods to arrive at a joint density on data and parameters. The method is demonstrated in the context of reactions in the H2-O2 system for predictive modeling of combustion systems of interest. Work supported by the US DOE BES CSGB. Sandia National Labs is a multimission lab managed and operated by Nat. Technology and Eng'g Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell Intl, for the US DOE NCSA under contract DE-NA-0003525.

Removal combined with reduction of hexavalent chromium from aqueous solution by Fe-ethylene glycol complex microspheres

NASA Astrophysics Data System (ADS)

Zhang, Yong-Xing; Jia, Yong

2016-12-01

Three-dimensional Fe-ethylene glycol (Fe-EG) complex microspheres were synthesized by a facile hydrothermal method, and were characterized by field emission scanning electron microscopy and transmission electron microscopy. The adsorption as well as reduction properties of the obtained Fe-EG complex microspheres towards Cr(VI) ions were studied. The experiment data of adsorption kinetic and isotherm were fitted by nonlinear regression approach. In neutral condition, the maximum adsorption capacity was 49.78 mg g-1 at room temperature, and was increased with the increasing of temperature. Thermodynamic parameters including the Gibbs free energy, standard enthalpy and standard entropy revealed that adsorption of Cr(VI) was a feasible, spontaneous and endothermic process. Spectroscopic analysis revealed the adsorption of Cr(VI) was a physical adsorption process. The adsorbed CrO42- ions were partly reduced to Cr(OH)3 by Fe(II) ions and the organic groups in the Fe-EG complex.

Moisture sorption isotherms and thermodynamic properties of mexican mennonite-style cheese.

PubMed

Martinez-Monteagudo, Sergio I; Salais-Fierro, Fabiola

2014-10-01

Moisture adsorption isotherms of fresh and ripened Mexican Mennonite-style cheese were investigated using the static gravimetric method at 4, 8, and 12 °C in a water activity range (aw) of 0.08-0.96. These isotherms were modeled using GAB, BET, Oswin and Halsey equations through weighed non-linear regression. All isotherms were sigmoid in shape, showing a type II BET isotherm, and the data were best described by GAB model. GAB model coefficients revealed that water adsorption by cheese matrix is a multilayer process characterized by molecules that are strongly bound in the monolayer and molecules that are slightly structured in a multilayer. Using the GAB model, it was possible to estimate thermodynamic functions (net isosteric heat, differential entropy, integral enthalpy and entropy, and enthalpy-entropy compensation) as function of moisture content. For both samples, the isosteric heat and differential entropy decreased with moisture content in exponential fashion. The integral enthalpy gradually decreased with increasing moisture content after reached a maximum value, while the integral entropy decreased with increasing moisture content after reached a minimum value. A linear compensation was found between integral enthalpy and entropy suggesting enthalpy controlled adsorption. Determination of moisture content and aw relationship yields to important information of controlling the ripening, drying and storage operations as well as understanding of the water state within a cheese matrix.

Entropy of network ensembles

NASA Astrophysics Data System (ADS)

Bianconi, Ginestra

2009-03-01

In this paper we generalize the concept of random networks to describe network ensembles with nontrivial features by a statistical mechanics approach. This framework is able to describe undirected and directed network ensembles as well as weighted network ensembles. These networks might have nontrivial community structure or, in the case of networks embedded in a given space, they might have a link probability with a nontrivial dependence on the distance between the nodes. These ensembles are characterized by their entropy, which evaluates the cardinality of networks in the ensemble. In particular, in this paper we define and evaluate the structural entropy, i.e., the entropy of the ensembles of undirected uncorrelated simple networks with given degree sequence. We stress the apparent paradox that scale-free degree distributions are characterized by having small structural entropy while they are so widely encountered in natural, social, and technological complex systems. We propose a solution to the paradox by proving that scale-free degree distributions are the most likely degree distribution with the corresponding value of the structural entropy. Finally, the general framework we present in this paper is able to describe microcanonical ensembles of networks as well as canonical or hidden-variable network ensembles with significant implications for the formulation of network-constructing algorithms.

On Entropy Production in the Madelung Fluid and the Role of Bohm's Potential in Classical Diffusion

NASA Astrophysics Data System (ADS)

Heifetz, Eyal; Tsekov, Roumen; Cohen, Eliahu; Nussinov, Zohar

2016-07-01

The Madelung equations map the non-relativistic time-dependent Schrödinger equation into hydrodynamic equations of a virtual fluid. While the von Neumann entropy remains constant, we demonstrate that an increase of the Shannon entropy, associated with this Madelung fluid, is proportional to the expectation value of its velocity divergence. Hence, the Shannon entropy may grow (or decrease) due to an expansion (or compression) of the Madelung fluid. These effects result from the interference between solutions of the Schrödinger equation. Growth of the Shannon entropy due to expansion is common in diffusive processes. However, in the latter the process is irreversible while the processes in the Madelung fluid are always reversible. The relations between interference, compressibility and variation of the Shannon entropy are then examined in several simple examples. Furthermore, we demonstrate that for classical diffusive processes, the "force" accelerating diffusion has the form of the positive gradient of the quantum Bohm potential. Expressing then the diffusion coefficient in terms of the Planck constant reveals the lower bound given by the Heisenberg uncertainty principle in terms of the product between the gas mean free path and the Brownian momentum.

Entropy vs. energy waveform processing: A comparison based on the heat equation

DOE PAGES

Hughes, Michael S.; McCarthy, John E.; Bruillard, Paul J.; ...

2015-05-25

Virtually all modern imaging devices collect electromagnetic or acoustic waves and use the energy carried by these waves to determine pixel values to create what is basically an “energy” picture. However, waves also carry “information”, as quantified by some form of entropy, and this may also be used to produce an “information” image. Numerous published studies have demonstrated the advantages of entropy, or “information imaging”, over conventional methods. The most sensitive information measure appears to be the joint entropy of the collected wave and a reference signal. The sensitivity of repeated experimental observations of a slowly-changing quantity may be definedmore » as the mean variation (i.e., observed change) divided by mean variance (i.e., noise). Wiener integration permits computation of the required mean values and variances as solutions to the heat equation, permitting estimation of their relative magnitudes. There always exists a reference, such that joint entropy has larger variation and smaller variance than the corresponding quantities for signal energy, matching observations of several studies. Moreover, a general prescription for finding an “optimal” reference for the joint entropy emerges, which also has been validated in several studies.« less

Crossing the phantom divide with dissipative normal matter in the Israel-Stewart formalism

NASA Astrophysics Data System (ADS)

Cruz, Norman; Lepe, Samuel

2017-04-01

A phantom solution in the framework of the causal Israel-Stewart (IS) formalism is discussed. We assume a late time behavior of the cosmic evolution by considering only one dominant matter fluid with viscosity. In the model it is assumed a bulk viscosity of the form ξ =ξ0ρ 1 / 2, where ρ is the energy density of the fluid. We evaluate and discuss the behavior of the thermodynamical parameters associated to this solution, like the temperature, rate of entropy, entropy, relaxation time, effective pressure and effective EoS. A discussion about the assumption of near equilibrium of the formalism and the accelerated expansion of the solution is presented. The solution allows to cross the phantom divide without evoking an exotic matter fluid and the effective EoS parameter is always lesser than -1 and time independent. A future singularity (big rip) occurs, but different from the Type I (big rip) solution classified in S. Nojiri, S.D. Odintsov and S. Tsujikawa (2005) [2], if we consider other thermodynamics parameters like, for example, the effective pressure in the presence of viscosity or the relaxation time.

Ab initio-informed maximum entropy modeling of rovibrational relaxation and state-specific dissociation with application to the O2 + O system

NASA Astrophysics Data System (ADS)

Kulakhmetov, Marat; Gallis, Michael; Alexeenko, Alina

2016-05-01

Quasi-classical trajectory (QCT) calculations are used to study state-specific ro-vibrational energy exchange and dissociation in the O2 + O system. Atom-diatom collisions with energy between 0.1 and 20 eV are calculated with a double many body expansion potential energy surface by Varandas and Pais [Mol. Phys. 65, 843 (1988)]. Inelastic collisions favor mono-quantum vibrational transitions at translational energies above 1.3 eV although multi-quantum transitions are also important. Post-collision vibrational favoring decreases first exponentially and then linearly as Δv increases. Vibrationally elastic collisions (Δv = 0) favor small ΔJ transitions while vibrationally inelastic collisions have equilibrium post-collision rotational distributions. Dissociation exhibits both vibrational and rotational favoring. New vibrational-translational (VT), vibrational-rotational-translational (VRT) energy exchange, and dissociation models are developed based on QCT observations and maximum entropy considerations. Full set of parameters for state-to-state modeling of oxygen is presented. The VT energy exchange model describes 22 000 state-to-state vibrational cross sections using 11 parameters and reproduces vibrational relaxation rates within 30% in the 2500-20 000 K temperature range. The VRT model captures 80 × 106 state-to-state ro-vibrational cross sections using 19 parameters and reproduces vibrational relaxation rates within 60% in the 5000-15 000 K temperature range. The developed dissociation model reproduces state-specific and equilibrium dissociation rates within 25% using just 48 parameters. The maximum entropy framework makes it feasible to upscale ab initio simulation to full nonequilibrium flow calculations.

Identification of a Threshold Value for the DEMATEL Method: Using the Maximum Mean De-Entropy Algorithm

NASA Astrophysics Data System (ADS)

Chung-Wei, Li; Gwo-Hshiung, Tzeng

To deal with complex problems, structuring them through graphical representations and analyzing causal influences can aid in illuminating complex issues, systems, or concepts. The DEMATEL method is a methodology which can be used for researching and solving complicated and intertwined problem groups. The end product of the DEMATEL process is a visual representation—the impact-relations map—by which respondents organize their own actions in the world. The applicability of the DEMATEL method is widespread, ranging from analyzing world problematique decision making to industrial planning. The most important property of the DEMATEL method used in the multi-criteria decision making (MCDM) field is to construct interrelations between criteria. In order to obtain a suitable impact-relations map, an appropriate threshold value is needed to obtain adequate information for further analysis and decision-making. In this paper, we propose a method based on the entropy approach, the maximum mean de-entropy algorithm, to achieve this purpose. Using real cases to find the interrelationships between the criteria for evaluating effects in E-learning programs as an examples, we will compare the results obtained from the respondents and from our method, and discuss that the different impact-relations maps from these two methods.

Fundamental Flaws In The Derivation Of Stevens' Law For Taste Within Norwich's Entropy Theory of Perception

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nizami, Lance

2010-03-01

Norwich's Entropy Theory of Perception (1975-present) is a general theory of perception, based on Shannon's Information Theory. Among many bold claims, the Entropy Theory presents a truly astounding result: that Stevens' Law with an Index of 1, an empirical power relation of direct proportionality between perceived taste intensity and stimulus concentration, arises from theory alone. Norwich's theorizing starts with several extraordinary hypotheses. First, 'multiple, parallel receptor-neuron units' without collaterals 'carry essentially the same message to the brain', i.e. the rate-level curves are identical. Second, sensation is proportional to firing rate. Third, firing rate is proportional to the taste receptor's 'resolvablemore » uncertainty'. Fourth, the 'resolvable uncertainty' is obtained from Shannon's Information Theory. Finally, 'resolvable uncertainty' also depends upon the microscopic thermodynamic density fluctuation of the tasted solute. Norwich proves that density fluctuation is density variance, which is proportional to solute concentration, all based on the theory of fluctuations in fluid composition from Tolman's classic physics text, 'The Principles of Statistical Mechanics'. Altogether, according to Norwich, perceived taste intensity is theoretically proportional to solute concentration. Such a universal rule for taste, one that is independent of solute identity, personal physiological differences, and psychophysical task, is truly remarkable and is well-deserving of scrutiny. Norwich's crucial step was the derivation of density variance. That step was meticulously reconstructed here. It transpires that the appropriate fluctuation is Tolman's mean-square fractional density fluctuation, not density variance as used by Norwich. Tolman's algebra yields a 'Stevens Index' of -1 rather than 1. As 'Stevens Index' empirically always exceeds zero, the Index of -1 suggests that it is risky to infer psychophysical laws of sensory response from information theory and stimulus physics while ignoring empirical biological transformations, such as sensory transduction. Indeed, it raises doubts as to whether the Entropy Theory actually describes psychophysical laws at all.« less

Evidence of the big fix

NASA Astrophysics Data System (ADS)

Hamada, Yuta; Kawai, Hikaru; Kawana, Kiyoharu

2014-06-01

We give an evidence of the Big Fix. The theory of wormholes and multiverse suggests that the parameters of the Standard Model are fixed in such a way that the total entropy at the late stage of the universe is maximized, which we call the maximum entropy principle. In this paper, we discuss how it can be confirmed by the experimental data, and we show that it is indeed true for the Higgs vacuum expectation value vh. We assume that the baryon number is produced by the sphaleron process, and that the current quark masses, the gauge couplings and the Higgs self-coupling are fixed when we vary vh. It turns out that the existence of the atomic nuclei plays a crucial role to maximize the entropy. This is reminiscent of the anthropic principle, however it is required by the fundamental law in our case.

Using the principle of entropy maximization to infer genetic interaction networks from gene expression patterns

PubMed Central

Lezon, Timothy R.; Banavar, Jayanth R.; Cieplak, Marek; Maritan, Amos; Fedoroff, Nina V.

2006-01-01

We describe a method based on the principle of entropy maximization to identify the gene interaction network with the highest probability of giving rise to experimentally observed transcript profiles. In its simplest form, the method yields the pairwise gene interaction network, but it can also be extended to deduce higher-order interactions. Analysis of microarray data from genes in Saccharomyces cerevisiae chemostat cultures exhibiting energy metabolic oscillations identifies a gene interaction network that reflects the intracellular communication pathways that adjust cellular metabolic activity and cell division to the limiting nutrient conditions that trigger metabolic oscillations. The success of the present approach in extracting meaningful genetic connections suggests that the maximum entropy principle is a useful concept for understanding living systems, as it is for other complex, nonequilibrium systems. PMID:17138668

Magnetic and thermodynamic properties of the Pr-based ferromagnet PrGe2-δ

NASA Astrophysics Data System (ADS)

Matsumoto, Keisuke T.; Morioka, Naoya; Hiraoka, Koichi

2018-03-01

We investigated the magnetization, M, and specific heat, C, of ThSi2-type PrGe2-δ. A polycrystalline sample of PrGe2-δ was prepared by arc-melting. Magnetization divided by magnetic field, M / B, increased sharply and C showed a clear jump at the Curie temperature, TC, of 14.6 K; these results indicate that PrGe2-δ ordered ferromagnetically. The magnetic entropy at TC reached R ln 3, indicating a quasi-triplet crystalline electric field (CEF) ground state. The maximum value of magnetic entropy change was 11.5 J/K kg with a field change of 7 T, which is comparable to those of other right rare-earth based magnetocaloric materials. This large magnetic entropy change was attributed to the quasi-triplet ground state of the CEF.

MaxEnt alternatives to pearson family distributions

NASA Astrophysics Data System (ADS)

Stokes, Barrie J.

2012-05-01

In a previous MaxEnt conference [11] a method of obtaining MaxEnt univariate distributions under a variety of constraints was presented. The Mathematica function Interpolation[], normally used with numerical data, can also process "semi-symbolic" data, and Lagrange Multiplier equations were solved for a set of symbolic ordinates describing the required MaxEnt probability density function. We apply a more developed version of this approach to finding MaxEnt distributions having prescribed β1 and β2 values, and compare the entropy of the MaxEnt distribution to that of the Pearson family distribution having the same β1 and β2. These MaxEnt distributions do have, in general, greater entropy than the related Pearson distribution. In accordance with Jaynes' Maximum Entropy Principle, these MaxEnt distributions are thus to be preferred to the corresponding Pearson distributions as priors in Bayes' Theorem.

Entropy uncertainty relations and stability of phase-temporal quantum cryptography with finite-length transmitted strings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Molotkov, S. N., E-mail: sergei.molotkov@gmail.com

2012-12-15

Any key-generation session contains a finite number of quantum-state messages, and it is there-fore important to understand the fundamental restrictions imposed on the minimal length of a string required to obtain a secret key with a specified length. The entropy uncertainty relations for smooth min and max entropies considerably simplify and shorten the proof of security. A proof of security of quantum key distribution with phase-temporal encryption is presented. This protocol provides the maximum critical error compared to other protocols up to which secure key distribution is guaranteed. In addition, unlike other basic protocols (of the BB84 type), which aremore » vulnerable with respect to an attack by 'blinding' of avalanche photodetectors, this protocol is stable with respect to such an attack and guarantees key security.« less

Negative specific heat of a magnetically self-confined plasma torus

PubMed Central

Kiessling, Michael K.-H.; Neukirch, Thomas

2003-01-01

It is shown that the thermodynamic maximum-entropy principle predicts negative specific heat for a stationary, magnetically self-confined current-carrying plasma torus. Implications for the magnetic self-confinement of fusion plasma are considered. PMID:12576553

α '-corrected black holes in String Theory

NASA Astrophysics Data System (ADS)

Cano, Pablo A.; Meessen, Patrick; Ortín, Tomás; Ramírez, Pedro F.

2018-05-01

We consider the well-known solution of the Heterotic Superstring effective action to zeroth order in α ' that describes the intersection of a fundamental string with momentum and a solitonic 5-brane and which gives a 3-charge, static, extremal, supersymmetric black hole in 5 dimensions upon dimensional reduction on T5. We compute explicitly the first-order in α ' corrections to this solution, including SU(2) Yang-Mills fields which can be used to cancel some of these corrections and we study the main properties of this α '-corrected solution: supersymmetry, values of the near-horizon and asymptotic charges, behavior under α '-corrected T-duality, value of the entropy (using Wald formula directly in 10 dimensions), existence of small black holes etc. The value obtained for the entropy agrees, within the limits of approximation, with that obtained by microscopic methods. The α ' corrections coming from Wald's formula prove crucial for this result.

Water's hydrogen bonds in the hydrophobic effect: a simple model.

PubMed

Xu, Huafeng; Dill, Ken A

2005-12-15

We propose a simple analytical model to account for water's hydrogen bonds in the hydrophobic effect. It is based on computing a mean-field partition function for a water molecule in the first solvation shell around a solute molecule. The model treats the orientational restrictions from hydrogen bonding, and utilizes quantities that can be obtained from bulk water simulations. We illustrate the principles in a 2-dimensional Mercedes-Benz-like model. Our model gives good predictions for the heat capacity of hydrophobic solvation, reproduces the solvation energies and entropies at different temperatures with only one fitting parameter, and accounts for the solute size dependence of the hydrophobic effect. Our model supports the view that water's hydrogen bonding propensity determines the temperature dependence of the hydrophobic effect. It explains the puzzling experimental observation that dissolving a nonpolar solute in hot water has positive entropy.

Exergie /4th revised and enlarged edition/

NASA Astrophysics Data System (ADS)

Baloh, T.; Wittwer, E.

The theoretical concept of exergy is explained and its practical applications are discussed. Equilibrium and thermal equilibrium are reviewed as background, and exergy is considered as a reference point for solid-liquid, liquid-liquid, and liquid-gas systems. Exergetic calculations and their graphic depictions are covered. The concepts of enthalpy and entropy are reviewed in detail, including their applications to gas mixtures, solutions, and isolated substances. The exergy of gas mixtures, solutions, and isolated substances is discussed, including moist air, liquid water in water vapor, dry air, and saturation-limited solutions. Mollier exergy-enthalpy-entropy diagrams are presented for two-component systems, and exergy losses for throttling, isobaric mixing, and heat transfer are addressed. The relationship of exergy to various processes is covered, including chemical processes, combustion, and nuclear reactions. The optimization of evaporation plants through exergy is discussed. Calculative examples are presented for energy production and heating, industrial chemical processes, separation of liquid air, nuclear reactors, and others.

The Transport of Mass, Energy, and Entropy in Cryogenic Support Struts for Engineering Design

NASA Technical Reports Server (NTRS)

Elchert, J. P.

2012-01-01

Engineers working to understand and reduce cryogenic boil-off must solve a variety of transport problems. An important class of nonlinear problems involves the thermal and mechanical design of cryogenic struts. These classic problems are scattered about the literature and typically require too many resources to obtain. So, to save time for practicing engineers, the author presents this essay. Herein, a variety of new, old, and revisited analytical and finite difference solutions of the thermal problem are covered in this essay, along with commentary on approach and assumptions. This includes a few thermal radiation and conduction combined mode solutions with a discussion on insulation, optimum emissivity, and geometrical phenomenon. Solutions to cooling and heat interception problems are also presented, including a discussion of the entropy generation. The literature on the combined mechanical and thermal design of cryogenic support struts is reviewed with an introduction to the associated numerical methods.

The Transport of Mass, Energy, and Entropy in Cryogenic Support Struts for Engineering Design

NASA Technical Reports Server (NTRS)

Elchert, J. P.

2012-01-01

Engineers working to understand and reduce cryogenic boil-off must solve a. variety of transport problems. An important class of nonlinear problems involves the thermal and mechanical design of cryogenic struts. These classic problems are scattered about the literature and typically require too many resources to obtain. So, to save time for practicing engineers, the author presents this essay. Herein, a variety of new, old, and revisited analytical and finite difference solutions of the thermal problem are covered in this essay, along with commentary on approach and assumptions, This includes a few thermal radiation and conduction combined mode solution with a discussion on insulation, optimum emissivity, and geometrical phenomenon. Solutions to cooling and heat interception problems are also presented, including a discussion of the entropy generation. And the literature on the combined mechanical and thermal design of cryogenic support struts is reviewed with an introduction to the associated numerical methods.

Soft hairy warped black hole entropy

NASA Astrophysics Data System (ADS)

Grumiller, Daniel; Hacker, Philip; Merbis, Wout

2018-02-01

We reconsider warped black hole solutions in topologically massive gravity and find novel boundary conditions that allow for soft hairy excitations on the horizon. To compute the associated symmetry algebra we develop a general framework to compute asymptotic symmetries in any Chern-Simons-like theory of gravity. We use this to show that the near horizon symmetry algebra consists of two u (1) current algebras and recover the surprisingly simple entropy formula S = 2 π( J 0 + + J 0 - ), where J 0 ± are zero mode charges of the current algebras. This provides the first example of a locally non-maximally symmetric configuration exhibiting this entropy law and thus non-trivial evidence for its universality.

Self-organization and entropy reduction in a living cell.

PubMed

Davies, Paul C W; Rieper, Elisabeth; Tuszynski, Jack A

2013-01-01

In this paper we discuss the entropy and information aspects of a living cell. Particular attention is paid to the information gain on assembling and maintaining a living state. Numerical estimates of the information and entropy reduction are given and discussed in the context of the cell's metabolic activity. We discuss a solution to an apparent paradox that there is less information content in DNA than in the proteins that are assembled based on the genetic code encrypted in DNA. When energy input required for protein synthesis is accounted for, the paradox is clearly resolved. Finally, differences between biological information and instruction are discussed. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

Symmetry for the duration of entropy-consuming intervals.

PubMed

García-García, Reinaldo; Domínguez, Daniel

2014-05-01

We introduce the violation fraction υ as the cumulative fraction of time that a mesoscopic system spends consuming entropy at a single trajectory in phase space. We show that the fluctuations of this quantity are described in terms of a symmetry relation reminiscent of fluctuation theorems, which involve a function Φ, which can be interpreted as an entropy associated with the fluctuations of the violation fraction. The function Φ, when evaluated for arbitrary stochastic realizations of the violation fraction, is odd upon the symmetry transformations that are relevant for the associated stochastic entropy production. This fact leads to a detailed fluctuation theorem for the probability density function of Φ. We study the steady-state limit of this symmetry in the paradigmatic case of a colloidal particle dragged by optical tweezers through an aqueous solution. Finally, we briefly discuss possible applications of our results for the estimation of free-energy differences from single-molecule experiments.

A computational study of entropy generation in magnetohydrodynamic flow and heat transfer over an unsteady stretching permeable sheet

NASA Astrophysics Data System (ADS)

Saeed Butt, Adnan; Ali, Asif

2014-01-01

The present article aims to investigate the entropy effects in magnetohydrodynamic flow and heat transfer over an unsteady permeable stretching surface. The time-dependent partial differential equations are converted into non-linear ordinary differential equations by suitable similarity transformations. The solutions of these equations are computed analytically by the Homotopy Analysis Method (HAM) then solved numerically by the MATLAB built-in routine. Comparison of the obtained results is made with the existing literature under limiting cases to validate our study. The effects of unsteadiness parameter, magnetic field parameter, suction/injection parameter, Prandtl number, group parameter and Reynolds number on flow and heat transfer characteristics are checked and analysed with the aid of graphs and tables. Moreover, the effects of these parameters on entropy generation number and Bejan number are also shown graphically. It is examined that the unsteadiness and presence of magnetic field augments the entropy production.

Estimating parameter of Rayleigh distribution by using Maximum Likelihood method and Bayes method

NASA Astrophysics Data System (ADS)

Ardianti, Fitri; Sutarman

2018-01-01

In this paper, we use Maximum Likelihood estimation and Bayes method under some risk function to estimate parameter of Rayleigh distribution to know the best method. The prior knowledge which used in Bayes method is Jeffrey’s non-informative prior. Maximum likelihood estimation and Bayes method under precautionary loss function, entropy loss function, loss function-L 1 will be compared. We compare these methods by bias and MSE value using R program. After that, the result will be displayed in tables to facilitate the comparisons.

Exp(1076) Shades of Black: Aspects of Black Hole Microstates

NASA Astrophysics Data System (ADS)

Vasilakis, Orestis

In this thesis we examine smooth supergravity solutions known as "microstate geometries". These solutions have neither a horizon, nor a singularity, yet they have the same asymptotic structure and conserved charges as black holes. Specifically we study supersymmetric and extremal non-supersymmetric solutions. The goal of this program is to construct enough microstates to account for the correct scaling behavior of the black hole entropy with respect to the charges within the supergravity approximation. For supersymmetric systems that are ⅛-BPS, microstate geometries account so far only for Q5/4 of the total entropy S ˜ Q3/2, while for non-supersymmetric systems the known microstate geometries are sporadic. For the supersymmetric case we construct solutions with three and four charges. Five-dimensional systems with three and four charges are ⅛-BPS. Thus they admit macroscopic horizons making the supergravity approximation valid. For the three-charge case we present some steps towards the construction of the superstratum, a microstate geometry depending on arbitrary functions of two variables, which is expected to provide the necessary entropy for this class of solutions. Specifically we construct multiple concentric solutions with three electric and two dipole magnetic charges which depend on arbitrary functions of two variables and examine their properties. These solutions have no KKM charge and thus are singular. For the four-charge case we construct microstate geometries by extending results available in the literature for three charges. We find smooth solutions in terms of bubbled geometries with ambipolar Gibbons-Hawking base space and by constructing the relevant supertubes. In the non-supersymmetric case we work with a three-charge system of extremal black holes known as almost-BPS, which provides a controlled way of breaking sypersymmetry. By using supertubes we construct the first systematic example of a family of almost-BPS microstate geometries and examine the moduli space of solutions. Furthermore by using brane probe analysis we show that, despite the breaking of supersymmetry, almost-BPS solutions receive no quantum corrections and thus must be subject to some kind of non-renormalization theorem.

The many faces of the second law

NASA Astrophysics Data System (ADS)

Van den Broeck, C.

2010-10-01

There exists no perpetuum mobile of the second kind. We review the implications of this observation on the second law, on the efficiency of thermal machines, on Onsager symmetry, on Brownian motors and Brownian refrigerators, and on the universality of efficiency of thermal machines at maximum power. We derive a microscopic expression for the stochastic entropy production, and obtain from it the detailed and integral fluctuation theorem. We close with the remarkable observation that the second law can be split in two: the total entropy production is the sum of two contributions each of which is growing independently in time.

Shock melting and vaporization of metals.

NASA Technical Reports Server (NTRS)

Ahrens, T. J.

1972-01-01

The effect of initial porosity on shock induction of melting and vaporization is investigated for Ba, Sr, Li, Fe, Al, U, and Th. For the less compressible of these metals, it is found that for a given strong shock-generation system (explosive in contact, or flyer-plate impact) an optimum initial specific volume exists such that the total entropy production, and hence the amount of metal liquid or vapor, is a maximum. Initial volumes from 1.4 to 2.0 times crystal volumes, depending on the metal sample and shock-inducing system, will result in optimum post-shock entropies.

The adiabatic piston: a perpetuum mobile in the mesoscopic realm

NASA Astrophysics Data System (ADS)

Crosignani, Bruno; Porto, Paolo; Conti, Claudio

2004-03-01

A detailed analysis of the adiabatic-piston problem reveals, for a finely-tuned choice of the spatial dimensions of the system, peculiar dynamical features that challenge the statement that an isolated system necessarily reaches a time-independent equilibrium state. In particular, the piston behaves like a perpetuum mobile, i.e., it never comes to a stop but keeps wandering, undergoing sizeable oscillations around the position corresponding to maximum entropy; this has remarkable implications on the entropy changes of a mesoscopic isolated system and on the limits of validity of the second law of thermodynamics in the mesoscopic realm.

A maximum (non-extensive) entropy approach to equity options bid-ask spread

NASA Astrophysics Data System (ADS)

Tapiero, Oren J.

2013-07-01

The cross-section of options bid-ask spreads with their strikes are modelled by maximising the Kaniadakis entropy. A theoretical model results with the bid-ask spread depending explicitly on the implied volatility; the probability of expiring at-the-money and an asymmetric information parameter (κ). Considering AIG as a test case for the period between January 2006 and October 2008, we find that information flows uniquely from the trading activity in the underlying asset to its derivatives. Suggesting that κ is possibly an option implied measure of the current state of trading liquidity in the underlying asset.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Noronha, Jorge; Denicol, Gabriel S.

In this paper we obtain an analytical solution of the relativistic Boltzmann equation under the relaxation time approximation that describes the out-of-equilibrium dynamics of a radially expanding massless gas. This solution is found by mapping this expanding system in flat spacetime to a static flow in the curved spacetime AdS 2 Ⓧ S 2. We further derive explicit analytic expressions for the momentum dependence of the single-particle distribution function as well as for the spatial dependence of its moments. We find that this dissipative system has the ability to flow as a perfect fluid even though its entropy density doesmore » not match the equilibrium form. The nonequilibrium contribution to the entropy density is shown to be due to higher-order scalar moments (which possess no hydrodynamical interpretation) of the Boltzmann equation that can remain out of equilibrium but do not couple to the energy-momentum tensor of the system. Furthermore, in this system the slowly moving hydrodynamic degrees of freedom can exhibit true perfect fluidity while being totally decoupled from the fast moving, nonhydrodynamical microscopic degrees of freedom that lead to entropy production.« less

Hydration of an apolar solute in a two-dimensional waterlike lattice fluid

NASA Astrophysics Data System (ADS)

Buzano, C.; de Stefanis, E.; Pretti, M.

2005-05-01

In a previous work, we investigated a two-dimensional lattice-fluid model, displaying some waterlike thermodynamic anomalies. The model, defined on a triangular lattice, is now extended to aqueous solutions with apolar species. Water molecules are of the “Mercedes Benz” type, i.e., they possess a D3 (equilateral triangle) symmetry, with three equivalent bonding arms. Bond formation depends both on orientation and local density. The insertion of inert molecules displays typical signatures of hydrophobic hydration: large positive transfer free energy, large negative transfer entropy (at low temperature), strong temperature dependence of the transfer enthalpy and entropy, i.e., large (positive) transfer heat capacity. Model properties are derived by a generalized first order approximation on a triangle cluster.

Hydration of an apolar solute in a two-dimensional waterlike lattice fluid.

PubMed

Buzano, C; De Stefanis, E; Pretti, M

2005-05-01

In a previous work, we investigated a two-dimensional lattice-fluid model, displaying some waterlike thermodynamic anomalies. The model, defined on a triangular lattice, is now extended to aqueous solutions with apolar species. Water molecules are of the "Mercedes Benz" type, i.e., they possess a D3 (equilateral triangle) symmetry, with three equivalent bonding arms. Bond formation depends both on orientation and local density. The insertion of inert molecules displays typical signatures of hydrophobic hydration: large positive transfer free energy, large negative transfer entropy (at low temperature), strong temperature dependence of the transfer enthalpy and entropy, i.e., large (positive) transfer heat capacity. Model properties are derived by a generalized first order approximation on a triangle cluster.

Probability of stress-corrosion fracture under random loading

NASA Technical Reports Server (NTRS)

Yang, J. N.

1974-01-01

Mathematical formulation is based on cumulative-damage hypothesis and experimentally-determined stress-corrosion characteristics. Under both stationary random loadings, mean value and variance of cumulative damage are obtained. Probability of stress-corrosion fracture is then evaluated, using principle of maximum entropy.

Dynamic Wireless Network Based on Open Physical Layer

DTIC Science & Technology

2011-02-18

would yield the error- exponent optimal solutions. We solved this problem, and the detailed works are reported in [?]. It turns out that when Renyi ...is, during the communication session. A natural set of metrics of interests are the family of Renyi divergences. With a parameter of α that can be...tuned, Renyi entropy of a given distribution corresponds to the Shannon entropy, at α = 1, to the probability of detection error, at α =∞. This gives a

Entropy of black holes in N=2 supergravity

NASA Astrophysics Data System (ADS)

Chatterjee, A.

2018-07-01

Using the formalism of isolated horizons, we construct space of solutions of asymptotically flat extremal black holes in N=2 pure supergravity in 4 dimensions. We prove that the laws of black hole mechanics hold for these black holes. Further, restricting to constant area phase space, we show that the spherical horizons admit a Chern-Simons theory. Standard way of quantizing this topological theory and counting states confirms that entropy is indeed proportional to the area of horizon.

High pressure synthesis of a hexagonal close-packed phase of the high-entropy alloy CrMnFeCoNi

NASA Astrophysics Data System (ADS)

Tracy, Cameron L.; Park, Sulgiye; Rittman, Dylan R.; Zinkle, Steven J.; Bei, Hongbin; Lang, Maik; Ewing, Rodney C.; Mao, Wendy L.

2017-05-01

High-entropy alloys, near-equiatomic solid solutions of five or more elements, represent a new strategy for the design of materials with properties superior to those of conventional alloys. However, their phase space remains constrained, with transition metal high-entropy alloys exhibiting only face- or body-centered cubic structures. Here, we report the high-pressure synthesis of a hexagonal close-packed phase of the prototypical high-entropy alloy CrMnFeCoNi. This martensitic transformation begins at 14 GPa and is attributed to suppression of the local magnetic moments, destabilizing the initial fcc structure. Similar to fcc-to-hcp transformations in Al and the noble gases, the transformation is sluggish, occurring over a range of >40 GPa. However, the behaviour of CrMnFeCoNi is unique in that the hcp phase is retained following decompression to ambient pressure, yielding metastable fcc-hcp mixtures. This demonstrates a means of tuning the structures and properties of high-entropy alloys in a manner not achievable by conventional processing techniques.

Structural transformations of heat treated Co-less high entropy alloys

NASA Astrophysics Data System (ADS)

Mitrica, D.; Tudor, A.; Rinaldi, A.; Soare, V.; Predescu, C.; Berbecaru, A.; Stoiciu, F.; Badilita, V.

2018-03-01

Co is considered to be one of the main ingredients in superalloys. Co is considered a critical element and its substitution is difficult due to its unique ability to form high temperature stable structures with high mechanical and corrosion/oxidation resistance. High entropy alloys (HEA) represent a relatively new concept in material design. HEA are characterised by a high number of alloying elements, in unusually high proportion. Due to their specific particularities, high entropy alloys tend to form predominant solid solution structures that develop potentially high chemical, physical and mechanical properties. Present paper is studying Co-less high entropy alloys with high potential in severe environment applications. The high entropy alloys based on Al-Cr-Fe-Mn-Ni system were prepared by induction melting and casting under protective atmosphere. The as-cast specimens were heat treated at various temperatures to determine the structure and property behaviour. Samples taken before and after heat treatment were investigated for chemical, physical, structural and mechanical characteristics. Sigma phase composition and heat treatment parameters had major influence over the resulted alloy structure and properties.

An entropy regularization method applied to the identification of wave distribution function for an ELF hiss event

NASA Astrophysics Data System (ADS)

Prot, Olivier; SantolíK, OndřEj; Trotignon, Jean-Gabriel; Deferaudy, Hervé

2006-06-01

An entropy regularization algorithm (ERA) has been developed to compute the wave-energy density from electromagnetic field measurements. It is based on the wave distribution function (WDF) concept. To assess its suitability and efficiency, the algorithm is applied to experimental data that has already been analyzed using other inversion techniques. The FREJA satellite data that is used consists of six spectral matrices corresponding to six time-frequency points of an ELF hiss-event spectrogram. The WDF analysis is performed on these six points and the results are compared with those obtained previously. A statistical stability analysis confirms the stability of the solutions. The WDF computation is fast and without any prespecified parameters. The regularization parameter has been chosen in accordance with the Morozov's discrepancy principle. The Generalized Cross Validation and L-curve criterions are then tentatively used to provide a fully data-driven method. However, these criterions fail to determine a suitable value of the regularization parameter. Although the entropy regularization leads to solutions that agree fairly well with those already published, some differences are observed, and these are discussed in detail. The main advantage of the ERA is to return the WDF that exhibits the largest entropy and to avoid the use of a priori models, which sometimes seem to be more accurate but without any justification.