Directory of Open Access Journals (Sweden)
Ulf Hensen
Full Text Available We develop a general minimally coupled subspace approach (MCSA to compute absolute entropies of macromolecules, such as proteins, from computer generated canonical ensembles. Our approach overcomes limitations of current estimates such as the quasi-harmonic approximation which neglects non-linear and higher-order correlations as well as multi-minima characteristics of protein energy landscapes. Here, Full Correlation Analysis, adaptive kernel density estimation, and mutual information expansions are combined and high accuracy is demonstrated for a number of test systems ranging from alkanes to a 14 residue peptide. We further computed the configurational entropy for the full 67-residue cofactor of the TATA box binding protein illustrating that MCSA yields improved results also for large macromolecular systems.
Absolute entropy of ions in methanol
International Nuclear Information System (INIS)
Abakshin, V.A.; Kobenin, V.A.; Krestov, G.A.
1978-01-01
By measuring the initial thermoelectromotive forces of chains with bromo-silver electrodes in tetraalkylammonium bromide solutions the absolute entropy of bromide-ion in methanol is determined in the 298.15-318.15 K range. The anti Ssub(Brsup(-))sup(0) = 9.8 entropy units value is used for calculation of the absolute partial molar entropy of alkali metal ions and halogenide ions. It has been found that, absolute entropy of Cs + =12.0 entropy units, I - =14.0 entropy units. The obtained ion absolute entropies in methanol at 298.15 K within 1-2 entropy units is in an agreement with published data
Configurational entropy of glueball states
Energy Technology Data Exchange (ETDEWEB)
Bernardini, Alex E., E-mail: alexeb@ufscar.br [Departamento de Física, Universidade Federal de São Carlos, PO Box 676, 13565-905, São Carlos, SP (Brazil); Braga, Nelson R.F., E-mail: braga@if.ufrj.br [Instituto de Física, Universidade Federal do Rio de Janeiro, Caixa Postal 68528, RJ 21941-972 (Brazil); Rocha, Roldão da, E-mail: roldao.rocha@ufabc.edu.br [CMCC, Universidade Federal do ABC, UFABC, 09210-580, Santo André (Brazil)
2017-02-10
The configurational entropy of glueball states is calculated using a holographic description. Glueball states are represented by a supergravity dual picture, consisting of a 5-dimensional graviton–dilaton action of a dynamical holographic AdS/QCD model. The configurational entropy is studied as a function of the glueball spin and of the mass, providing information about the stability of the glueball states.
Maximum entropy tokamak configurations
International Nuclear Information System (INIS)
Minardi, E.
1989-01-01
The new entropy concept for the collective magnetic equilibria is applied to the description of the states of a tokamak subject to ohmic and auxiliary heating. The condition for the existence of steady state plasma states with vanishing entropy production implies, on one hand, the resilience of specific current density profiles and, on the other, severe restrictions on the scaling of the confinement time with power and current. These restrictions are consistent with Goldston scaling and with the existence of a heat pinch. (author)
Planck absolute entropy of a rotating BTZ black hole
Riaz, S. M. Jawwad
2018-04-01
In this paper, the Planck absolute entropy and the Bekenstein-Smarr formula of the rotating Banados-Teitelboim-Zanelli (BTZ) black hole are presented via a complex thermodynamical system contributed by its inner and outer horizons. The redefined entropy approaches zero as the temperature of the rotating BTZ black hole tends to absolute zero, satisfying the Nernst formulation of a black hole. Hence, it can be regarded as the Planck absolute entropy of the rotating BTZ black hole.
Length scale for configurational entropy in microemulsions
Reiss, H.; Kegel, W.K.; Groenewold, J.
1996-01-01
In this paper we study the length scale that must be used in evaluating the mixing entropy in a microemulsion. The central idea involves the choice of a length scale in configuration space that is consistent with the physical definition of entropy in phase space. We show that this scale may be
Prediction of Protein Configurational Entropy (Popcoen).
Goethe, Martin; Gleixner, Jan; Fita, Ignacio; Rubi, J Miguel
2018-03-13
A knowledge-based method for configurational entropy prediction of proteins is presented; this methodology is extremely fast, compared to previous approaches, because it does not involve any type of configurational sampling. Instead, the configurational entropy of a query fold is estimated by evaluating an artificial neural network, which was trained on molecular-dynamics simulations of ∼1000 proteins. The predicted entropy can be incorporated into a large class of protein software based on cost-function minimization/evaluation, in which configurational entropy is currently neglected for performance reasons. Software of this type is used for all major protein tasks such as structure predictions, proteins design, NMR and X-ray refinement, docking, and mutation effect predictions. Integrating the predicted entropy can yield a significant accuracy increase as we show exemplarily for native-state identification with the prominent protein software FoldX. The method has been termed Popcoen for Prediction of Protein Configurational Entropy. An implementation is freely available at http://fmc.ub.edu/popcoen/ .
Redetermination and absolute configuration of atalaphylline
Directory of Open Access Journals (Sweden)
Hoong-Kun Fun
2010-02-01
Full Text Available The title acridone alkaloid [systematic name: 1,3,5-trihydroxy-2,4-bis(3-methylbut-2-enylacridin-9(10H-one], C23H25NO4, has previously been reported as crystallizing in the chiral orthorhombic space group P212121 [Chantrapromma et al. (2010. Acta Cryst. E66, o81–o82] but the absolute configuration could not be determined from data collected with Mo radiation. The absolute configuration has now been determined by refinement of the Flack parameter with data collected using Cu radiation. All features of the molecule and its crystal packing are similar to those previously described.
Benzofuranoid and bicyclooctanoid neolignans:absolute configuration
International Nuclear Information System (INIS)
Alvarenga, M.A. de; Giesbrecht, A.M.; Gottlieb, O.R.; Yoshida, M.
1977-01-01
The naturally occuring benzofuranoid and bicyclo (3,2,1) octanoid neolignans have their relative configurations established by 1 H and 13 C NMR, inclusively with aid of the solvent shift technique. Interconversion of the benzofuranoid type compounds, as well as for a benzofuranoid to a bicyclooctanoid derivate, make ORD correlations, ultimately with (2S, 3S) - and (2R,3R)-2,3- dihydrobenzofurans, possible, and led to the absolute configurations of both series of neolignans [pt
Calculation of Configurational Entropy in Complex Landscapes
Directory of Open Access Journals (Sweden)
Samuel A Cushman
2018-04-01
Full Text Available Entropy and the second law of thermodynamics are fundamental concepts that underlie all natural processes and patterns. Recent research has shown how the entropy of a landscape mosaic can be calculated using the Boltzmann equation, with the entropy of a lattice mosaic equal to the logarithm of the number of ways a lattice with a given dimensionality and number of classes can be arranged to produce the same total amount of edge between cells of different classes. However, that work seemed to also suggest that the feasibility of applying this method to real landscapes was limited due to intractably large numbers of possible arrangements of raster cells in large landscapes. Here I extend that work by showing that: (1 the proportion of arrangements rather than the number with a given amount of edge length provides a means to calculate unbiased relative configurational entropy, obviating the need to compute all possible configurations of a landscape lattice; (2 the edge lengths of randomized landscape mosaics are normally distributed, following the central limit theorem; and (3 given this normal distribution it is possible to fit parametric probability density functions to estimate the expected proportion of randomized configurations that have any given edge length, enabling the calculation of configurational entropy on any landscape regardless of size or number of classes. I evaluate the boundary limits (4 for this normal approximation for small landscapes with a small proportion of a minority class and show it holds under all realistic landscape conditions. I further (5 demonstrate that this relationship holds for a sample of real landscapes that vary in size, patch richness, and evenness of area in each cover type, and (6 I show that the mean and standard deviation of the normally distributed edge lengths can be predicted nearly perfectly as a function of the size, patch richness and diversity of a landscape. Finally, (7 I show that the
Configurational entropy in brane-world models
Energy Technology Data Exchange (ETDEWEB)
Correa, R.A.C. [CCNH, Universidade Federal do ABC, Santo Andre, SP (Brazil); Rocha, Roldao da [CMCC, Universidade Federal do ABC, Santo Andre, SP (Brazil); International School for Advanced Studies (SISSA), Trieste (Italy)
2015-11-15
In this work we investigate the entropic information on thick brane-world scenarios and its consequences. The brane-world entropic information is studied for the sine-Gordon model and hence the brane-world entropic information measure is shown to be an accurate way for providing the most suitable range for the bulk AdS curvature, in particular from the informational content of physical solutions. Besides, the brane-world configurational entropy is employed to demonstrate a high organisational degree in the structure of the configuration of the system, for large values of a parameter of the sine-Gordon model but the one related to the AdS curvature. The Gleiser and Stamatopoulos procedure is finally applied in order to achieve a precise correlation between the energy of the system and the brane-world configurational entropy. (orig.)
Configurational entropy in brane-world models
Energy Technology Data Exchange (ETDEWEB)
Correa, R. A. C., E-mail: fis04132@gmail.com [CCNH, Universidade Federal do ABC, 09210-580, Santo André, SP (Brazil); Rocha, Roldão da, E-mail: roldao.rocha@ufabc.edu.br [CMCC, Universidade Federal do ABC, 09210-580, Santo André, SP (Brazil); International School for Advanced Studies (SISSA), Via Bonomea 265, 34136, Trieste (Italy)
2015-11-02
In this work we investigate the entropic information on thick brane-world scenarios and its consequences. The brane-world entropic information is studied for the sine-Gordon model and hence the brane-world entropic information measure is shown to be an accurate way for providing the most suitable range for the bulk AdS curvature, in particular from the informational content of physical solutions. Besides, the brane-world configurational entropy is employed to demonstrate a high organisational degree in the structure of the configuration of the system, for large values of a parameter of the sine-Gordon model but the one related to the AdS curvature. The Gleiser and Stamatopoulos procedure is finally applied in order to achieve a precise correlation between the energy of the system and the brane-world configurational entropy.
Configurational entropy in brane-world models
International Nuclear Information System (INIS)
Correa, R. A. C.; Rocha, Roldão da
2015-01-01
In this work we investigate the entropic information on thick brane-world scenarios and its consequences. The brane-world entropic information is studied for the sine-Gordon model and hence the brane-world entropic information measure is shown to be an accurate way for providing the most suitable range for the bulk AdS curvature, in particular from the informational content of physical solutions. Besides, the brane-world configurational entropy is employed to demonstrate a high organisational degree in the structure of the configuration of the system, for large values of a parameter of the sine-Gordon model but the one related to the AdS curvature. The Gleiser and Stamatopoulos procedure is finally applied in order to achieve a precise correlation between the energy of the system and the brane-world configurational entropy
Total Synthesis and Absolute Configuration of the Marine Norditerpenoid Xestenone
Directory of Open Access Journals (Sweden)
Hiroaki Miyaoka
2009-11-01
Full Text Available Xestenone is a marine norditerpenoid found in the northeastern Pacific sponge Xestospongia vanilla. The relative configuration of C-3 and C-7 in xestenone was determined by NOESY spectral analysis. However the relative configuration of C-12 and the absolute configuration of this compound were not determined. The authors have now achieved the total synthesis of xestenone using their developed one-pot synthesis of cyclopentane derivatives employing allyl phenyl sulfone and an epoxy iodide as a key step. The relative and absolute configurations of xestenone were thus successfully determined by this synthesis.
Confirmation of the absolute configuration of (−)-aurantioclavine
Behenna, Douglas C.; Krishnan, Shyam; Stoltz, Brian M.
2011-01-01
We confirm our previous assignment of the absolute configuration of (-)-aurantioclavine as 7R by crystallographically characterizing an advanced 3-bromoindole intermediate reported in our previous synthesis. This analysis also provides additional
The vibrational and configurational entropy of α-brass
International Nuclear Information System (INIS)
Benisek, Artur; Dachs, Edgar; Salihović, Miralem; Paunovic, Aleksandar; Maier, Maria E.
2014-01-01
Highlights: • The heat capacity of two α-brass samples was measured from T = 5 K to 300 K. • Above T = 300 K, the ordering/disordering processes were investigated calorimetrically. • The vibrational and configurational entropies of α-brass were calculated. • A volume vs. bulk modulus approach describing the excess entropy was tested. -- Abstract: The heat capacities of two samples of a fcc Cu–Zn alloy with the composition CuZn15 and CuZn34 were measured from T = 5 K to 573 K using relaxation and differential scanning calorimetry. Below ∼90 K, they are characterised by negative excess heat capacities deviating from ideal mixing by up to −0.20 and −0.44 J · mol −1 · K −1 for CuZn15 and CuZn34, respectively. The excess heat capacities produce excess vibrational entropies, which are less negative compared to the excess entropy available from the literature. Since the literature entropy data contain both, the configurational and the vibrational part of the entropy, the difference is attributed to the excess configurational entropy. The thermodynamics of different short-range ordered samples was also investigated. The extent of the short-range order had no influence on the heat capacity below T = 300 K. Above T = 300 K, where the ordering changed during the measurement, the heat capacity depended strongly on the thermal history of the samples. From these data, the heat and entropy of ordering was calculated. The results on the vibrational entropy of this study were also used to test a relationship for estimating the excess vibrational entropy of mixing
Configurational entropy of hydrogen-disordered ice polymorphs
International Nuclear Information System (INIS)
Herrero, Carlos P.; Ramírez, Rafael
2014-01-01
The configurational entropy of several H-disordered ice polymorphs is calculated by means of a thermodynamic integration along a path between a totally H-disordered state and one fulfilling the Bernal-Fowler ice rules. A Monte Carlo procedure based on a simple energy model is used, so that the employed thermodynamic path drives the system from high temperatures to the low-temperature limit. This method turns out to be precise enough to give reliable values for the configurational entropy s th of different ice phases in the thermodynamic limit (number of molecules N → ∞). The precision of the method is checked for the ice model on a two-dimensional square lattice. Results for the configurational entropy are given for H-disordered arrangements on several polymorphs, including ices Ih, Ic, II, III, IV, V, VI, and XII. The highest and lowest entropy values correspond to ices VI and XII, respectively, with a difference of 3.3% between them. The dependence of the entropy on the ice structures has been rationalized by comparing it with structural parameters of the various polymorphs, such as the mean ring size. A particularly good correlation has been found between the configurational entropy and the connective constant derived from self-avoiding walks on the ice networks
Configuration Entropy Calculations for Complex Compounds Technetium
International Nuclear Information System (INIS)
Muhayatun; Susanto Imam Rahayu; Surdia, N.M.; Abdul Mutalib
2002-01-01
Recently, the study of technetium complexes is rapidly increasing, due to the benefit of 99m Tc complexes (one of Tc nuclear isomers), which are widely used for diagnostics. Study of the structure-stability relationship of Tc complexes based on solid angle has been done by Kung using a Solid Angle Factor Sum (SAS). The SAS is hypothesized to be related to stability. SAS has been used by several researchers either for synthesis or designing the reaction route of the Tc complex formation and predicting the geometry of complex structures. Although the advantages of the SAS were very gratifying, but the model does not have the theoretical basis which is able to explain the correlation of steric parameters to physicochemical properties of complexes especially to those connected to a complex's stability. To improve the SAS model, in this research the model was modified by providing a theoretical basis for SAS. The results obtained from the correlation of the SAS value to the thermodynamic stability parameters of simple complexes show the values to have a similar trend as the standard entropy (S 0 ). The entropy approximation model was created by involving some factors which are not used in Kung's model. Entropy optimization to the bond length (ML) has also been done to several complexes. The calculations of SAS value using the calculated R for more than 100 Tc complexes provide a normalized mean value of 0.8545 ± 0.0851 and have similar curve profiles as those of Kung's model. The entropy value can be obtained by multiplying the natural logarithm of the a priori degeneracy of a certain distribution (Ω) and the Boltzmann constant. The results of Ω and In Ω of the Tc complexes have a narrow range. The results of this research are able to provide a basic concept for the SAS to explain the structure-stability relationship and to improve Kung's model. (author)
Configurational entropy of anti-de Sitter black holes
International Nuclear Information System (INIS)
Braga, Nelson R.F.; Rocha, Roldão da
2017-01-01
Recent studies indicate that the configurational entropy is an useful tool to investigate the stability and (or) the relative dominance of states for diverse physical systems. Recent examples comprise the connection between the variation of this quantity and the relative fraction of light mesons and glueballs observed in hadronic processes. Here we develop a technique for defining a configurational entropy for an AdS-Schwarzschild black hole. The achieved result corroborates consistency with the Hawking–Page phase transition. Namely, the dominance of the black hole configurational entropy will be shown to increase with the temperature. In order to verify the consistency of the new procedure developed here, we also consider the case of black holes in flat space-time. For such a black hole, it is known that evaporation leads to instability. The configurational entropy obtained for the flat space case is thoroughly consistent with the physical expectation. In fact, we show that the smaller the black holes, the more unstable they are. So, the configurational entropy furnishes a reliable measure for stability of black holes.
Configurational entropy of anti-de Sitter black holes
Energy Technology Data Exchange (ETDEWEB)
Braga, Nelson R.F., E-mail: braga@if.ufrj.br [Instituto de Física, Universidade Federal do Rio de Janeiro, Caixa Postal 68528, RJ 21941-972 (Brazil); Rocha, Roldão da, E-mail: roldao.rocha@ufabc.edu.br [Centro de Matemática, Computação e Cognição, Universidade Federal do ABC – UFABC, 09210-580, Santo André (Brazil)
2017-04-10
Recent studies indicate that the configurational entropy is an useful tool to investigate the stability and (or) the relative dominance of states for diverse physical systems. Recent examples comprise the connection between the variation of this quantity and the relative fraction of light mesons and glueballs observed in hadronic processes. Here we develop a technique for defining a configurational entropy for an AdS-Schwarzschild black hole. The achieved result corroborates consistency with the Hawking–Page phase transition. Namely, the dominance of the black hole configurational entropy will be shown to increase with the temperature. In order to verify the consistency of the new procedure developed here, we also consider the case of black holes in flat space-time. For such a black hole, it is known that evaporation leads to instability. The configurational entropy obtained for the flat space case is thoroughly consistent with the physical expectation. In fact, we show that the smaller the black holes, the more unstable they are. So, the configurational entropy furnishes a reliable measure for stability of black holes.
On determining absolute entropy without quantum theory or the third law of thermodynamics
Steane, Andrew M.
2016-04-01
We employ classical thermodynamics to gain information about absolute entropy, without recourse to statistical methods, quantum mechanics or the third law of thermodynamics. The Gibbs-Duhem equation yields various simple methods to determine the absolute entropy of a fluid. We also study the entropy of an ideal gas and the ionization of a plasma in thermal equilibrium. A single measurement of the degree of ionization can be used to determine an unknown constant in the entropy equation, and thus determine the absolute entropy of a gas. It follows from all these examples that the value of entropy at absolute zero temperature does not need to be assigned by postulate, but can be deduced empirically.
Absolute configurations of zingiberenols isolated from ginger (Zingiber officinale) rhizomes
The sesquiterpene alcohol zingiberenol, or 1,10-bisaboladien-3-ol, was isolated some time ago from ginger, Zingiber officinale, rhizomes, but its absolute configuration had not been determined. With three chiral centers present in the molecule, zingiberenol can exist in eight stereoisomeric forms. ...
Confirmation of the absolute configuration of (−)-aurantioclavine
Behenna, Douglas C.
2011-04-01
We confirm our previous assignment of the absolute configuration of (-)-aurantioclavine as 7R by crystallographically characterizing an advanced 3-bromoindole intermediate reported in our previous synthesis. This analysis also provides additional support for our model of enantioinduction in the palladium(II)-catalyzed oxidative kinetic resolution of secondary alcohols. © 2010 Elsevier Ltd. All rights reserved.
Absolute configuration of some dinorlabdanes from the copaiba oil
Energy Technology Data Exchange (ETDEWEB)
Romero, Adriano L.; Baptistela, Lucia H.B.; Imamura, Paulo M. [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Inst. de Quimica], e-mail: imam@iqm.unicamp.br
2009-07-01
A novel ent-dinorlabdane ({iota})-13(R)-14,15-dinorlabd-8(17)-ene-3,13-diol was isolated from commercial copaiba oil along with two known dinorlabdanes. The absolute configuration of these dinorditerpenes was established for the first time through synthesis starting from known ({iota})-3-hydroxycopalic acid, which was also isolated from the same oleoresin. (author)
Absolute configuration and antiprotozoal activity of minquartynoic acid
DEFF Research Database (Denmark)
Rasmussen, H B; Christensen, Søren Brøgger; Kvist, L P
2000-01-01
Minquartynoic acid (1) was isolated as an antimalarial and antileishmanial constituent of the Peruvian tree Minquartia guianensis and its absolute configuration at C-17 established to be (+)-S through conversion to the known (+)-(S)-17-hydroxystearic acid (2) and confirmed using Mosher's method....
Configurational entropy and ρ and ϕ mesons production in QCD
Karapetyan, G.
2018-06-01
In the present work the electroproduction for diffractive ρ and ϕ mesons by considering AdS/QCD correspondence and Color Glass Condensate (CGC) approximation are studied with respect to the associated dipole cross section, whose parameters are studied and analysed in the framework of the configurational entropy. Our results suggest different quantum states of the nuclear matter, showing that the extremal points of the nuclear configurational entropy is able to reflect a true description of the ρ and ϕ mesons production, using current data concerning light quark masses. During the computations parameters, obtained in fitting procedure, coincide to the experimental within ∼ 0.1%.
The Role of Configurational Entropy in Amorphous Systems
Directory of Open Access Journals (Sweden)
Kirsten A. Graeser
2010-05-01
Full Text Available Configurational entropy is an important parameter in amorphous systems. It is involved in the thermodynamic considerations, plays an important role in the molecular mobility calculations through its appearance in the Adam-Gibbs equation and provides information on the solubility increase of an amorphous form compared to its crystalline counterpart. This paper presents a calorimetric method which enables the scientist to quickly determine the values for the configurational entropy at any temperature and obtain the maximum of information from these measurements.
Configurational entropy of charged AdS black holes
Directory of Open Access Journals (Sweden)
Chong Oh Lee
2017-09-01
Full Text Available When we consider charged AdS black holes in higher dimensional spacetime and a molecule number density along coexistence curves is numerically extended to higher dimensional cases. It is found that a number density difference of a small and large black holes decrease as a total dimension grows up. In particular, we find that a configurational entropy is a concave function of a reduced temperature and reaches a maximum value at a critical (second-order phase transition point. Furthermore, the bigger a total dimension becomes, the more concave function in a configurational entropy while the more convex function in a reduced pressure.
Dissecting Protein Configurational Entropy into Conformational and Vibrational Contributions.
Chong, Song-Ho; Ham, Sihyun
2015-10-01
Quantifying how the rugged nature of the underlying free-energy landscape determines the entropic cost a protein must incur upon folding and ligand binding is a challenging problem. Here, we present a novel computational approach that dissects the protein configurational entropy on the basis of the classification of protein dynamics on the landscape into two separate components: short-term vibrational dynamics related to individual free-energy wells and long-term conformational dynamics associated with transitions between wells. We apply this method to separate the configurational entropy of the protein villin headpiece subdomain into its conformational and vibrational components. We find that the change in configurational entropy upon folding is dominated by the conformational entropy despite the fact that the magnitude of the vibrational entropy is the significantly larger component in each of the folded and unfolded states, which is in accord with the previous empirical estimations. The straightforward applicability of our method to unfolded proteins promises a wide range of applications, including those related to intrinsically disordered proteins.
Calculating the configurational entropy of a landscape mosaic
Samuel A. Cushman
2016-01-01
Applications of entropy and the second law of thermodynamics in landscape ecology are rare and poorly developed. This is a fundamental limitation given the centrally important role the second law plays in all physical and biological processes. A critical first step to exploring the utility of thermodynamics in landscape ecology is to define the configurational...
Configurational Information as Potentially Negative Entropy: The Triple Helix Model
Directory of Open Access Journals (Sweden)
Loet Leydesdorff
2008-10-01
Full Text Available Configurational information is generated when three or more sources of variance interact. The variations not only disturb each other relationally, but by selecting upon each other, they are also positioned in a configuration. A configuration can be stabilized and/or globalized. Different stabilizations can be considered as second-order variation, and globalization as a second-order selection. The positive manifestations and the negative selections operate upon one another by adding and reducing uncertainty, respectively. Reduction of uncertainty in a configuration can be measured in bits of information. The variables can also be considered as dimensions of the probabilistic entropy in the system(s under study. The configurational information then provides us with a measure of synergy within a complex system. For example, the knowledge base of an economy can be considered as such a synergy in the otherwise virtual (that is, fourth dimension of a regime
Correlation as a Determinant of Configurational Entropy in Supramolecular and Protein Systems
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
Configurational entropy change of netropsin and distamycin upon DNA minor-groove binding.
Dolenc, Jozica; Baron, Riccardo; Oostenbrink, Chris; Koller, Joze; van Gunsteren, Wilfred F
2006-08-15
Binding of a small molecule to a macromolecular target reduces its conformational freedom, resulting in a negative entropy change that opposes the binding. The goal of this study is to estimate the configurational entropy change of two minor-groove-binding ligands, netropsin and distamycin, upon binding to the DNA duplex d(CGCGAAAAACGCG).d(CGCGTTTTTCGCG). Configurational entropy upper bounds based on 10-ns molecular dynamics simulations of netropsin and distamycin in solution and in complex with DNA in solution were estimated using the covariance matrix of atom-positional fluctuations. The results suggest that netropsin and distamycin lose a significant amount of configurational entropy upon binding to the DNA minor groove. The estimated changes in configurational entropy for netropsin and distamycin are -127 J K(-1) mol(-1) and -104 J K(-1) mol(-1), respectively. Estimates of the configurational entropy contributions of parts of the ligands are presented, showing that the loss of configurational entropy is comparatively more pronounced for the flexible tails than for the relatively rigid central body.
DEFF Research Database (Denmark)
Lassen, Peter Rygaard
2005-01-01
The absolute configuration of the norlignan (+)-nyasol was determined to be S by comparison of the experimental vibrational circular dichroism data with first-principle calculations taking into account the eight lowest energy conformations. The established absolute configuration of (+)-nyasol...... enables establishment of the absolute configuration of (-)-hinokiresinol, which is concluded to be S. A total synthesis and resolution of hinokiresinol has been performed to resolve the conflicting reports of the coupling constant of the vinylic protons of the disubstituted double bond in this molecule...
Configurational entropy and effective temperature in systems of active Brownian particles
Preisler, Zdeněk; Dijkstra, Marjolein
2016-01-01
We propose a method to determine the effective density of states and configurational entropy in systems of active Brownian particles by measuring the probability distribution function of potential energy at varying temperatures. Assuming that the entropy is a continuous and monotonically increasing
Utilization of 1H NMR in the determination of absolute configuration of alcohols
International Nuclear Information System (INIS)
Barreiros, Marizeth L.; David, Jorge M.; David, Juceni P. . E-juceni@ufba.br
2005-01-01
This review reports the determination of absolute configuration of primary and secondary alcohols by 1 H NMR spectroscopy, using the Mosher method. This method consists in the derivatization of an alcohol possessing unknown absolute configuration with one or both enantiomers of an auxiliary reagent. The resulting diastereoisomer spectra are registered and compared, and the chemical shift differences (Δδ R,S = δ R - δ S ) are measured. The determination of the absolute configuration of the alcohol molecule is based on the correlation between its chiral center and the auxiliary reagent's chiral center. Therefore, the determination of the absolute configuration depends on aromatic ring shielding effects on the substituents of the alcohol as evidenced by the 1 H NMR spectrum. (author)
Fujimoto, Y; Satoh, M; Takeuchi, N; Kirisawa, M
1990-06-01
Panaxacol (1) and dihydropanaxacol (2), cytotoxic polyacetylenes isolated from the callus of Panax ginseng, were synthesized starting from D-(-)-diethyl tartrate. The absolute configuration of 1 was determined to be 9R, 10R and the absolute configuration at C-3 of 2 was tentatively assigned as 3S by the application of the R(+)-alpha-methoxy-alpha-(trifluoro methyl)phenylacetyl (MTPA) method.
Isolation and Absolute Configuration of Boehmenan from Durio affinis Becc.
Directory of Open Access Journals (Sweden)
Rudiyansyah
2014-03-01
Full Text Available Boehmenan (1 is a lignan which has two feruloyl moieties at C-9 and C-9"' respectively. The structural characterization of (+-boehmenan was confirmed by 1H-NMR, 13C NMR and HRESIMS as well as by direct comparison with the literature. CD measurements established a 7S' , 8R' configuration. Cytotoxicity evaluation showed that boehmenan is moderately active against the T47D cell line with IC 50 13.7 m g/mL and shows weak activity against the HeLa cancer cell line with IC 50 93.5 m g/mL. Boehmenan is also non-cytotoxic to the Vero cell line. From this study, boehmenan X and erythro-carolignan E were also obtained.
Synthesis and Absolute Configuration of Enantiomerically Pure Vitamin K3 2,3-Epoxide
Snatzke, Günther; Wijnberg, Hans; Feringa, Bernard; Marsman, Bea G.; Greydanus, Ben; Pluim, Henk
1980-01-01
The 2,3-epoxide of vitamin K3 (menadione, 1) has been prepared in enantiomerically pure form, and the absolute configuration has been deduced from the CD spectrum. The compound with the negative Cotton effect between 340 and 400 nm has the 2R,3S configuration.
Configurational entropy of polar glass formers and the effect of electric field on glass transition
Energy Technology Data Exchange (ETDEWEB)
Matyushov, Dmitry V., E-mail: dmitrym@asu.edu [Department of Physics and School of Molecular Sciences, Arizona State University, P.O. Box 871504, Tempe, Arizona 85287 (United States)
2016-07-21
A model of low-temperature polar liquids is constructed that accounts for the configurational heat capacity, entropy, and the effect of a strong electric field on the glass transition. The model is based on the Padé-truncated perturbation expansions of the liquid state theory. Depending on parameters, it accommodates an ideal glass transition of vanishing configurational entropy and its avoidance, with a square-root divergent enumeration function at the point of its termination. A composite density-temperature parameter ρ{sup γ}/T, often used to represent combined pressure and temperature data, follows from the model. The theory is in good agreement with the experimental data for excess (over the crystal state) thermodynamics of molecular glass formers. We suggest that the Kauzmann entropy crisis might be a signature of vanishing configurational entropy of a subset of degrees of freedom, multipolar rotations in our model. This scenario has observable consequences: (i) a dynamical crossover of the relaxation time and (ii) the fragility index defined by the ratio of the excess heat capacity and excess entropy at the glass transition. The Kauzmann temperature of vanishing configurational entropy and the corresponding glass transition temperature shift upward when the electric field is applied. The temperature shift scales quadratically with the field strength.
Configurational entropy of polar glass formers and the effect of electric field on glass transition.
Matyushov, Dmitry V
2016-07-21
A model of low-temperature polar liquids is constructed that accounts for the configurational heat capacity, entropy, and the effect of a strong electric field on the glass transition. The model is based on the Padé-truncated perturbation expansions of the liquid state theory. Depending on parameters, it accommodates an ideal glass transition of vanishing configurational entropy and its avoidance, with a square-root divergent enumeration function at the point of its termination. A composite density-temperature parameter ρ(γ)/T, often used to represent combined pressure and temperature data, follows from the model. The theory is in good agreement with the experimental data for excess (over the crystal state) thermodynamics of molecular glass formers. We suggest that the Kauzmann entropy crisis might be a signature of vanishing configurational entropy of a subset of degrees of freedom, multipolar rotations in our model. This scenario has observable consequences: (i) a dynamical crossover of the relaxation time and (ii) the fragility index defined by the ratio of the excess heat capacity and excess entropy at the glass transition. The Kauzmann temperature of vanishing configurational entropy and the corresponding glass transition temperature shift upward when the electric field is applied. The temperature shift scales quadratically with the field strength.
Antiausterity activity of arctigenin enantiomers: importance of (2R,3R)-absolute configuration.
Awale, Suresh; Kato, Mamoru; Dibwe, Dya Fita; Li, Feng; Miyoshi, Chika; Esumi, Hiroyasu; Kadota, Shigetoshi; Tezuka, Yasuhiro
2014-01-01
From a MeOH extract of powdered roots of Wikstroemia indica, six dibenzyl-gamma-butyrolactone-type lignans with (2S,3S)-absolute configuration [(+)-arctigenin (1), (+)-matairesinol (2), (+)-trachelogenin (3), (+)-nortrachelogenin (4), (+)-hinokinin (5), and (+)-kusunokinin (6)] were isolated, whereas three dibenzyl-gamma-butyrolactone-type lignans with (2R,3R)-absolute configuration [(-)-arctigenin (1*), (-)-matairesinol (2*), (-)-trachelogenin (3*)] were isolated from Trachelospermum asiaticum. The in vitro preferential cytotoxic activity of the nine compounds was evaluated against human pancreatic PANC-1 cancer cells in nutrient-deprived medium (NDM), but none of the six lignans (1-6) with (2S,3S)-absolute configuration showed preferential cytotoxicity. On the other hand, three lignans (1*-3*) with (2R,3R)-absolute configuration exhibited preferential cytotoxicity in a concentration-dependent manner with PC50 values of 0.54, 6.82, and 5.85 microM, respectively. Furthermore, the effect of (-)- and (+)-arctigenin was evaluated against the activation of Akt, which is a key process in the tolerance to nutrition starvation. Interestingly, only (-)-arctigenin (1*) strongly suppressed the activation of Akt. These results indicate that the (2R,3R)-absolute configuration of (-)-enantiomers should be required for the preferential cytotoxicity through the inhibition of Akt activation.
Configurational entropy measurements in extremely supercooled liquids that break the glass ceiling
Berthier, Ludovic; Charbonneau, Patrick; Coslovich, Daniele; Ninarello, Andrea; Ozawa, Misaki; Yaida, Sho
2017-10-01
Liquids relax extremely slowly on approaching the glass state. One explanation is that an entropy crisis, because of the rarefaction of available states, makes it increasingly arduous to reach equilibrium in that regime. Validating this scenario is challenging, because experiments offer limited resolution, while numerical studies lag more than eight orders of magnitude behind experimentally relevant timescales. In this work, we not only close the colossal gap between experiments and simulations but manage to create in silico configurations that have no experimental analog yet. Deploying a range of computational tools, we obtain four estimates of their configurational entropy. These measurements consistently confirm that the steep entropy decrease observed in experiments is also found in simulations, even beyond the experimental glass transition. Our numerical results thus extend the observational window into the physics of glasses and reinforce the relevance of an entropy crisis for understanding their formation.
Breaking the glass ceiling: Configurational entropy measurements in extremely supercooled liquids
Berthier, Ludovic
Liquids relax extremely slowly on approaching the glass state. One explanation is that an entropy crisis, due to the rarefaction of available states, makes it increasingly arduous to reach equilibrium in that regime. Validating this scenario is challenging, because experiments offer limited resolution, while numerical studies lag more than eight orders of magnitude behind experimentally-relevant timescales. In this work we not only close the colossal gap between experiments and simulations but manage to create in-silico configurations that have no experimental analog yet. Deploying a range of computational tools, we obtain four independent estimates of their configurational entropy. These measurements consistently indicate that the steep entropy decrease observed in experiments is found in simulations even beyond the experimental glass transition. Our numerical results thus open a new observational window into the physics of glasses and reinforce the relevance of an entropy crisis for understanding their formation.
International Nuclear Information System (INIS)
Davis, Sergio
2013-01-01
In this work we develop a method for inferring the underlying configurational density of states of a molecular system by combining information from several microcanonical molecular dynamics or Monte Carlo simulations at different energies. This method is based on Jaynes' Maximum Entropy formalism (MaxEnt) for Bayesian statistical inference under known expectation values. We present results of its application to measure thermodynamic entropy and free energy differences in embedded-atom models of metals.
Prediction of absolute entropy of ideal gas at 298 K of pure chemicals through GAMLR and FFNN
International Nuclear Information System (INIS)
Fazeli, Ali; Bagheri, Mehdi; Ghaniyari-Benis, Saeid; Aslebagh, Roshanak; Kamaloo, Elaheh
2011-01-01
Thermodynamical optimization for energy conversion system can be performed by decreasing entropy generation. For calculation of entropy, we need to know entropy of ideal gases at 298 K as a reference point. Entropy is a thermodynamic quantity which is not easily measured and prediction of entropy by molecular structures for new designed molecules may be a challenge. An easy and accurate equation for prediction of absolute entropy of pure ideal gas at 298 K was introduced for the first time based on the quantitative structure property relationship (QSPR) approach. Thousand seven hundred pure chemical compounds and 3224 molecular descriptors were used for finding this easy equation by genetic algorithm multi-linear regression (GAMLR) subset variable selection. Our work are based on 1700 chemicals in 81 chemical families that is the most comprehensive available data sets for absolute entropy of ideal gases. The final model is linear and has three molecular descriptors with the squared correlation coefficient of 0.9885 (R 2 = 0.9885). Also, feed forward neural network (FFNN) was used for considering non linearity effect of the model. It has the squared correlation coefficient of 0.9909 (R 2 = 0.9909). The model passes all validity check methods. The novel proposed model has the predictability for new designed molecules by having the molecular structures of them.
Distance-Based Configurational Entropy of Proteins from Molecular Dynamics Simulations.
Fogolari, Federico; Corazza, Alessandra; Fortuna, Sara; Soler, Miguel Angel; VanSchouwen, Bryan; Brancolini, Giorgia; Corni, Stefano; Melacini, Giuseppe; Esposito, Gennaro
2015-01-01
Estimation of configurational entropy from molecular dynamics trajectories is a difficult task which is often performed using quasi-harmonic or histogram analysis. An entirely different approach, proposed recently, estimates local density distribution around each conformational sample by measuring the distance from its nearest neighbors. In this work we show this theoretically well grounded the method can be easily applied to estimate the entropy from conformational sampling. We consider a set of systems that are representative of important biomolecular processes. In particular: reference entropies for amino acids in unfolded proteins are obtained from a database of residues not participating in secondary structure elements;the conformational entropy of folding of β2-microglobulin is computed from molecular dynamics simulations using reference entropies for the unfolded state;backbone conformational entropy is computed from molecular dynamics simulations of four different states of the EPAC protein and compared with order parameters (often used as a measure of entropy);the conformational and rototranslational entropy of binding is computed from simulations of 20 tripeptides bound to the peptide binding protein OppA and of β2-microglobulin bound to a citrate coated gold surface. This work shows the potential of the method in the most representative biological processes involving proteins, and provides a valuable alternative, principally in the shown cases, where other approaches are problematic.
International Nuclear Information System (INIS)
He, Jiangbo; Zhu, Hua Jie; Luo, Gui Fen; Li, Yan; Cheng, Yong Xian; Chen, Hao; Chen, Shaopeng; Lu, Xin; Zhou, Guochun; Liu, Guang Ming
2010-01-01
The whole plant of Euphorbia helioscopia is an important traditional Chinese medicine. Fom its BuOH soluble extract, one new lactam, three new terpenoids including a new naturally occurring compound, and three known compounds were isolated. Their structures were identified by spectroscopic evidences. In particular, the absolute configurations of side chain of compounds 1 and 2 were determined using computational methods
DEFF Research Database (Denmark)
Fristrup, Peter; Lassen, Peter Rygaard; Johannessen, Christian
2006-01-01
obtained from quantum mechanical calculations (density functional theory with the B3LYP hybrid exchange correlation functional with 6-31++G**, aug-cc-pVDZ, or aug-cc-pVTZ basis set) and related to the physical structure of the compounds. The absolute configuration could be established directly in each case...
Vliegenthart, J.F.G.; Gerwig, G.J.; Kamerling, J.P.
1979-01-01
The absolute configuration of neutral monosaccharides, 2-acetamido-2-deoxy sugars, and uronic acids can be determined by capillary g.l.c. on SE-30 after glycosidation with (-)-2-butanol and protection of the remaining polar groups. The method is illustrated by application to mixtures of the
The iso-structural viscosity, configurational entropy and fragility of oxide liquids
DEFF Research Database (Denmark)
Yue, Yuanzheng
2009-01-01
the variation of the configurational entropy (Sc) with temperature (T) are obtained from the Avramov-Milchev (AM) and the Vogel-Fulcher- Tammann (VFT) viscosity equations, respectively. The two Sc(T) functions exhibit different relations to the liquid fragility. The AM Sc(T) function is a power function...
Pitzer, Martin; Kastirke, Gregor; Kunitski, Maksim; Jahnke, Till; Bauer, Tobias; Goihl, Christoph; Trinter, Florian; Schober, Carl; Henrichs, Kevin; Becht, Jasper; Zeller, Stefan; Gassert, Helena; Waitz, Markus; Kuhlins, Andreas; Sann, Hendrik; Sturm, Felix; Wiegandt, Florian; Wallauer, Robert; Schmidt, Lothar Ph H; Johnson, Allan S; Mazenauer, Manuel; Spenger, Benjamin; Marquardt, Sabrina; Marquardt, Sebastian; Schmidt-Böcking, Horst; Stohner, Jürgen; Dörner, Reinhard; Schöffler, Markus; Berger, Robert
2016-08-18
The absolute configuration of individual small molecules in the gas phase can be determined directly by light-induced Coulomb explosion imaging (CEI). Herein, this approach is demonstrated for ionization with a single X-ray photon from a synchrotron light source, leading to enhanced efficiency and faster fragmentation as compared to previous experiments with a femtosecond laser. In addition, it is shown that even incomplete fragmentation pathways of individual molecules from a racemic CHBrClF sample can give access to the absolute configuration in CEI. This leads to a significant increase of the applicability of the method as compared to the previously reported complete break-up into atomic ions and can pave the way for routine stereochemical analysis of larger chiral molecules by light-induced CEI. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Communication: Probing the absolute configuration of chiral molecules at aqueous interfaces
Energy Technology Data Exchange (ETDEWEB)
Lotze, Stephan, E-mail: lotze@amolf.nl; Versluis, Jan [FOM Institute for Atomic and Molecular Physics, Science Park 104, 1098 XG Amsterdam (Netherlands); Olijve, Luuk L. C.; Schijndel, Luuk van; Milroy, Lech G.; Voets, Ilja K. [Laboratory of Macromolecular and Organic Chemistry, Department of Chemical Engineering and Chemistry, and Institute for Complex Molecular Systems, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven (Netherlands); Bakker, Huib J., E-mail: bakker@amolf.nl [FOM Institute AMOLF, Science Park 104, 1098 XG Amsterdam (Netherlands)
2015-11-28
We demonstrate that the enantiomers of chiral macromolecules at an aqueous interface can be distinguished with monolayer sensitivity using heterodyne-detected vibrational sum-frequency generation (VSFG). We perform VSFG spectroscopy with a polarization combination that selectively probes chiral molecular structures. By using frequencies far detuned from electronic resonances, we probe the chiral macromolecular structures with high surface specificity. The phase of the sum-frequency light generated by the chiral molecules is determined using heterodyne detection. With this approach, we can distinguish right-handed and left-handed helical peptides at a water-air interface. We thus show that heterodyne-detected VSFG is sensitive to the absolute configuration of complex, interfacial macromolecules and has the potential to determine the absolute configuration of enantiomers at interfaces.
Wolkenstein, K.; Sun , H.; Falk, H.; Griesinger, C.
2015-01-01
Complete structural elucidation of natural products is often challenging due to structural complexity and limited availability. This is true for present-day secondary metabolites, but even more for exceptionally preserved secondary metabolites of ancient organisms that potentially provide insights into the evolutionary history of natural products. Here, we report the full structure and absolute configuration of the borolithochromes, enigmatic boron-containing pigments from a Jurassic putative...
Guilet, David; Guntern, Alain; Ioset, Jean-Robert; Queiroz, Emerson F; Ndjoko, Karine; Foggin, Chris M; Hostettmann, Kurt
2003-01-01
A new tetrahydrophenanthrene (1, (1R,2R)-1-hydroxy-2-methoxy-6,9-dimethyl-2,3-dihydrophenanthren-4(1H)-one (heliophenanthrone)) has been isolated from the aerial parts of Heliotropium ovalifolium. Its structure was elucidated on the basis of spectroscopic data, and the absolute configuration of the asymmetric centers was determined from LC-NMR data of the Mosher ester derivatives.
Czech Academy of Sciences Publication Activity Database
Hopmann, K. H.; Šebestík, Jaroslav; Novotná, J.; Stensen, W.; Urbanová, M.; Svenson, J.; Svendsen, J. S.; Bouř, Petr; Ruud, K.
2012-01-01
Roč. 77, č. 2 (2012), s. 858-869 ISSN 0022-3263 R&D Projects: GA ČR GAP208/11/0105; GA MŠk(CZ) LH11033 Institutional research plan: CEZ:AV0Z40550506 Keywords : vibrational circular dichroism * Raman optical activity * absolute configuration * bioprospecting Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.564, year: 2012
Partition Function and Configurational Entropy in Non-Equilibrium States: A New Theoretical Model
Directory of Open Access Journals (Sweden)
Akira Takada
2018-03-01
Full Text Available A new model of non-equilibrium thermodynamic states has been investigated on the basis of the fact that all thermodynamic variables can be derived from partition functions. We have thus attempted to define partition functions for non-equilibrium conditions by introducing the concept of pseudo-temperature distributions. These pseudo-temperatures are configurational in origin and distinct from kinetic (phonon temperatures because they refer to the particular fragments of the system with specific energies. This definition allows thermodynamic states to be described either for equilibrium or non-equilibrium conditions. In addition; a new formulation of an extended canonical partition function; internal energy and entropy are derived from this new temperature definition. With this new model; computational experiments are performed on simple non-interacting systems to investigate cooling and two distinct relaxational effects in terms of the time profiles of the partition function; internal energy and configurational entropy.
N L Batista, Andrea; M Dos Santos, Fernando; Batista, João M; Cass, Quezia B
2018-02-23
Chiral natural product molecules are generally assumed to be biosynthesized in an enantiomerically pure or enriched fashion. Nevertheless, a significant amount of racemates or enantiomerically enriched mixtures has been reported from natural sources. This number is estimated to be even larger since the enantiomeric purity of secondary metabolites is rarely checked in the natural product isolation pipeline. This latter fact may have drastic effects on the evaluation of the biological activity of chiral natural products. A second bottleneck is the determination of their absolute configurations. Despite the widespread use of optical rotation and electronic circular dichroism, most of the stereochemical assignments are based on empirical correlations with similar compounds reported in the literature. As an alternative, the combination of vibrational circular dichroism and quantum chemical calculations has emerged as a powerful and reliable tool for both conformational and configurational analysis of natural products, even for those lacking UV-Vis chromophores. In this review, we aim to provide the reader with a critical overview of the occurrence of enantiomeric mixtures of secondary metabolites in nature as well the best practices for their detection, enantioselective separation using liquid chromatography, and determination of absolute configuration by means of vibrational circular dichroism and density functional theory calculations.
Evangelisti, Luca; Caminati, Walther; Patterson, David; Thomas, Javix; Xu, Yunjie; West, Channing; Pate, Brooks
2017-06-01
The introduction of three wave mixing rotational spectroscopy by Patterson, Schnell, and Doyle [1,2] has expanded applications of molecular rotational spectroscopy into the field of chiral analysis. Chiral analysis of a molecule is the quantitative measurement of the relative abundances of all stereoisomers of the molecule and these include both diastereomers (with distinct molecular rotational spectra) and enantiomers (with equivalent molecular rotational spectra). This work adapts a common strategy in chiral analysis of enantiomers to molecular rotational spectroscopy. A "chiral tag" is attached to the molecule of interest by making a weakly bound complex in a pulsed jet expansion. When this tag molecule is enantiopure, it will create diastereomeric complexes with the two enantiomers of the molecule being analyzed and these can be differentiated by molecule rotational spectroscopy. Identifying the structure of this complex, with knowledge of the absolute configuration of the tag, establishes the absolute configuration of the molecule of interest. Furthermore, the diastereomer complex spectra can be used to determine the enantiomeric excess of the sample. The ability to perform chiral analysis will be illustrated by a study of solketal using propylene oxide as the tag. The possibility of using current methods of quantum chemistry to assign a specific structure to the chiral tag complex will be discussed. Finally, chiral tag rotational spectroscopy offers a "gold standard" method for determining the absolute configuration of the molecule through determination of the substitution structure of the complex. When this measurement is possible, rotational spectroscopy can deliver a quantitative three dimensional structure of the molecule with correct stereochemistry as the analysis output. [1] David Patterson, Melanie Schnell, John M. Doyle, Nature 497, 475 (2013). [2] David Patterson, John M. Doyle, Phys. Rev. Lett. 111, 023008 (2013).
Absolute Configuration of Andrographolide and Its Proliferation of Osteoblast Cell Lines
Chantrapromma, S.; Boonnak, N.; Pitakpornpreecha, T.; Yordthong, T.; Chidan Kumar, C. S.; Fun, H. K.
2018-05-01
Andrographolide, C20H30O5, is a labdane diterpenoid which was isolated from the leave of Andrographis paniculata. Its crystal structure is determined by single crystal X-ray diffraction: monoclinic, sp. gr. P21, Z = 2. Absolute configuration is determined by the refinement of the Flack parameter to 0.21(19). In the crystal, molecules are linked by O-H···O hydrogen bonds and C-H···O interactions into two dimensional network parallel to the (001) plane. Its proliferation of osteoblast cell lines is reported.
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.
Evangelisti, Luca; Holdren, Martin S.; Mayer, Kevin J.; Smart, Taylor; West, Channing; Pate, Brooks
2017-06-01
The absolute configuration of 3-methylcyclohexanone was established by chiral tag rotational spectroscopy measurements using 3-butyn-2-ol as the tag partner. This molecule was chosen because it is a benchmark measurement for vibrational circular dichroism (VCD). A comparison of the analysis approaches of chiral tag rotational spectroscopy and VCD will be presented. One important issue in chiral analysis by both methods is the conformational flexibility of the molecule being analyzed. The analysis of conformational composition of samples will be illustrated. In this case, the high spectral resolution of molecular rotational spectroscopy and potential for spectral simplification by conformational cooling in the pulsed jet expansion are advantages for chiral tag spectroscopy. The computational chemistry requirements for the two methods will also be discussed. In this case, the need to perform conformer searches for weakly bound complexes and to perform reasonably high level quantum chemistry geometry optimizations on these complexes makes the computational time requirements less favorable for chiral tag rotational spectroscopy. Finally, the issue of reliability of the determination of the absolute configuration will be considered. In this case, rotational spectroscopy offers a "gold standard" analysis method through the determination of the ^{13}C-subsitution structure of the complex between 3-methylcyclohexanone and an enantiopure sample of the 3-butyn-2-ol tag.
Mondal, Shovan; Naubron, Jean-Valère; Campolo, Damien; Giorgi, Michel; Bertrand, Michéle P; Nechab, Malek
2013-12-01
The absolute configurations (AC) of azaheterocylic compounds resulting from the cascade rearrangement of enediynes involving only light atoms were unambiguously assigned by the joint use of vibrational circular dichroism (VCD) and copper radiation single crystal X-ray diffraction (XRD). These AC determinations proved that the rearrangements of enediynes proceeded with memory of chirality and retention of configuration. © 2013 Wiley Periodicals, Inc.
Configurational entropy as a tool to select a physical thick brane model
Chinaglia, M.; Cruz, W. T.; Correa, R. A. C.; de Paula, W.; Moraes, P. H. R. S.
2018-04-01
We analize braneworld scenarios via a configurational entropy (CE) formalism. Braneworld scenarios have drawn attention mainly due to the fact that they can explain the hierarchy problem and unify the fundamental forces through a symmetry breaking procedure. Those scenarios localize matter in a (3 + 1) hypersurface, the brane, which is inserted in a higher dimensional space, the bulk. Novel analytical braneworld models, in which the warp factor depends on a free parameter n, were recently released in the literature. In this article we will provide a way to constrain this parameter through the relation between information and dynamics of a system described by the CE. We demonstrate that in some cases the CE is an important tool in order to provide the most probable physical system among all the possibilities. In addition, we show that the highest CE is correlated to a tachyonic sector of the configuration, where the solutions for the corresponding model are dynamically unstable.
Structure and Absolute Configuration of Ginkgolide B Characterized by IR- and VCD Spectroscopy
DEFF Research Database (Denmark)
Andersen, Niels Højmark; Christensen, N.J.; Lassen, Peter Rygaard
2010-01-01
Experimental and calculated (B3LYP/6-31G(d)) vibrational Circular dichroism (VCD) and IR spectra are compared, illustrating that the structure and absolute configuration of ginkgolide B (GB) may be characterized directly in solution. A conformational search for GB using MacroModel and subsequent...... DFT optimizations (B3LYP/6-31G(d)) provides a structure for the lowest energy conformer which agrees well with the structure determined by X-ray diffraction. In addition, a conformer at all energy of 7 kJ mol(-1) (B3LYP/6-311+G(2d,2p)) with respect to the lowest energy conformer is predicted...
Meng, Chun-Wang; He, Yu-Lin; Peng, Cheng; Ding, Xing-Jie; Guo, Li; Xiong, Liang
2017-09-01
Five picrotoxane sesquiterpenoids belonging to the unusual dendrobine-type (1 and 4) and the picrotoxinin-type (2, 3, and 5) were isolated from the stems of Dendrobium nobile Lindl. Their structures were established by spectroscopic analyses and physical properties. Compound 1 was a new dendrobine analogue. Although the planar structure of 2 and 3 had been reported, their absolute configurations were first determined by single-crystal X-ray diffraction and circular dichroism. Compound 2 exhibited angiogenesis effect against sunitinib-induced damage on intersegmental blood vessels in Tg (flk1: EGFP) and Tg (fli1: nEGFP) transgenic zebrafish at concentrations of 3.13, 6.25, 12.50, and 25.00μM. Copyright © 2017. Published by Elsevier B.V.
Superchi, Stefano; Scafato, Patrizia; Gorecki, Marcin; Pescitelli, Gennaro
2018-01-01
Quantum mechanical simulations of chiroptical properties, such as electronic circular dichroism (ECD), optical rotation (OR), and vibrational circular dichroism (VCD), have rapidly become very popular to assign the absolute configuration of novel natural products. We review the application of the ECD/OR/VCD computational methodology to chiral metabolites of fungal origin. First, we summarize the fundamentals of the three spectroscopies; then, we focus on the specific experimental and computational issues allied to the application of their calculations. We surveyed the entire literature describing the use of ECD/OR/VCD computations for fungal metabolites, and catalogued all papers according to the method employed and to the structural family of compounds. Then, we chose several examples to illustrate the use of the techniques and highlight the practical application of the computational approach. Our literature survey demonstrates that the simulation of ECD/OR/VCD spectra is nowadays widespread and accessible also to non-experts, although a good computational practice is necessary to avoid wrong assignments. ECD is still the most common technique used in the context of fungal metabolites. OR and VCD may be profitably employed when the compound of interest lacks chromophoric groups. Our examples illustrate that the combination of two or more chiroptical methods is strongly advisable in some cases, especially in the presence of high conformational flexibility, where a single technique does not lead to a safe conclusion. The ECD/OR/VCD computational approach is a reliable and versatile method to assign the absolute configuration of fungal metabolites and related natural products. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.
Wolkenstein, Klaus; Sun, Han; Falk, Heinz; Griesinger, Christian
2015-10-28
Complete structural elucidation of natural products is often challenging due to structural complexity and limited availability. This is true for present-day secondary metabolites, but even more for exceptionally preserved secondary metabolites of ancient organisms that potentially provide insights into the evolutionary history of natural products. Here, we report the full structure and absolute configuration of the borolithochromes, enigmatic boron-containing pigments from a Jurassic putative red alga, from samples of less than 50 μg using microcryoprobe NMR, circular dichroism spectroscopy, and density functional theory calculations and reveal their polyketide origin. The pigments are identified as spiroborates with two pentacyclic sec-butyl-trihydroxy-methyl-benzo[gh]tetraphen-one ligands and less-substituted derivatives. The configuration of the sec-butyl group is found to be (S). Because the exceptional benzo[gh]tetraphene scaffold is otherwise only observed in the recently discovered polyketide clostrubin from a present-day Clostridium bacterium, the Jurassic borolithochromes now can be unambiguously linked to the modern polyketide, providing evidence that the fossil pigments are almost originally preserved secondary metabolites and suggesting that the pigments in fact may have been produced by an ancient bacterium. The borolithochromes differ fundamentally from previously described boronated polyketides and represent the first boronated aromatic polyketides found so far. Our results demonstrate the potential of microcryoprobe NMR in the analysis of previously little-explored secondary metabolites from ancient organisms and reveal the evolutionary significance of clostrubin-type polyketides.
Polavarapu, Prasad L; Jeirath, Neha; Kurtán, Tibor; Pescitelli, Gennaro; Krohn, Karsten
2009-01-01
Cephalochromin, a homodimeric naphthpyranone natural product, contains both axial chirality due to the hindered rotation along the biaryl axis and central chirality due to the C-2, C-2' stereogenic centers of the fused pyranone ring. For determining the absolute configurations (ACs) of central chirality elements, different chiroptical spectroscopic methods, namely vibrational circular dichroism (VCD), electronic circular dichroism (ECD), and optical rotation (OR), have been used. From these experimental data, in conjunction with corresponding quantum chemical predictions at B3LYP/6-311G* level, it is found that the ECD spectra of cephalochromin are dominated by its axial chirality and are not suitable to distinguish the (aS,2S,2'S) and (aS,2R,2'R) diastereomers and hence to determine the ACs of the central chirality elements. OR signs also did not distinguish the (aS,2S,2'S) and (aS,2R,2'R) diastereomers. On other hand, VCD spectrum of cephalochromin exhibited separate spectral features attributable to axial chirality and stereogenic centers, thereby allowing the determination of both types of chirality elements. This is the first investigation demonstrating that, because of vibrations specific to the studied stereogenic centers, VCD spectroscopy can be used to simultaneously determine the ACs of axial and central chirality elements whenever other chiroptical methods (ECD and OR) fail to report on them. (c) 2009 Wiley-Liss, Inc.
Absolute Configurations and NO Inhibitory Activities of Terpenoids from Curcuma longa.
Xu, Jing; Ji, Feifei; Kang, Jing; Wang, Hao; Li, Shen; Jin, Da-Qing; Zhang, Qiang; Sun, Hongwei; Guo, Yuanqiang
2015-06-24
Curcuma longa L., belonging to the Zingiberaceae family, is a perennial herb and has been used as a spice and a pigment in the food industry. In the ongoing search for inhibitory reagents of NO production and survey of the chemical composition of natural vegetable foods, the chemical constituents of C. longa used as spice were investigated. This investigation resulted in the isolation of 2 new terpenoids and 14 known analogues. Their structures were established on the basis of the extensive analyses of 1D and 2D NMR spectroscopic data, and the absolute configurations of 1-4 were elucidated by comparison of the calculated and experimental ECD spectra. Among them, compound 1 is a rare norditerpene with an ent-labdane skeleton, and 2 is a skeletally novel sesquiterpene having an eight-membered ring. All of the compounds were found to possess NO inhibitory activities in murine microglial BV-2 cells. The discovery of two new compounds in this chemical investigation further disclosed the chemical composition of C. longa used a food spice, and the bioassay implied that the natural food spice C. longa, containing terpenoids with NO inhibitory activities, may be potentially promotive to human health.
Kodai, Tetsuya; Nakatani, Takafumi; Noda, Naoki
2011-03-01
9-Hydroxy-2E-decenoic acid (9-HDA) is a precursor of the queen-produced substance, 9-oxo-2E-decenoic acid (9-ODA), which has various important functions and roles for caste maintenance in honeybee colonies (Apis mellifera). 9-HDA in royal jelly is considered to be a metabolite of 9-ODA produced by worker bees, and it is fed back to the queen who then transforms it into 9-ODA. Recently we found that 9-HDA is present in royal jelly as a mixture of optical isomers (R:S, 2:1). The finding leads us to suspect that chiral fatty acids in royal jelly are precursors of semiochemicals. Rather than looking for semiochemicals in the mandibular glands of the queen bee, this study involves the search for precursors of pheromones from large quantities of royal jelly. Seven chiral hydroxy fatty acids, 9,10-dihydroxy-2E-decenoic, 4,10-dihydroxy-2E-decenoic, 4,9-dihydroxy-2E-decenoic, 3-hydroxydecanoic, 3,9-dihydroxydecanoic, 3,11-dihydroxydodecanoic, and 3,10-dihydroxydecanoic acids were isolated. The absolute configurations of these acids were determined using the modified Mosher's method, and it was revealed that, similar to 9-HDA, five acids are present in royal jelly as mixtures of optical isomers.
The sesquiterpenoid nootkatone and the absolute configuration of a dibromo derivative.
Sauer, Anne M; Fronczek, Frank R; Zhu, Betty C R; Crowe, William E; Henderson, Gregg; Laine, Roger A
2003-05-01
Nootkatone, or (4R,4aS,6R)-4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)naphthalen-2(3H)-one, C(15)H(22)O, a sesquiterpene with strong repellent properties against Formosan subterranean termites and other insects, has the valencene skeleton. The dibromo derivative (1S,3R,4S,4aS,6R,8aR)-1,3-dibromo-6-isopropyl-4,4a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-one, C(15)H(24)Br(2)O, has two independent molecules in the asymmetric unit, which differ in the rotation of the isopropyl group with respect to the main skeleton. The C-Br distances are in the range 1.950 (4)-1.960 (4) A. Both independent molecules form zigzag chains, with very short intermolecular carbonyl-carbonyl interactions, having the perpendicular motif and O...C distances of 2.886 (6) and 2.898 (6) A. These chains are flanked by intermolecular Br...Br interactions of distances in the range 4.067 (1)-4.218 (1) A. The absolute configuration of the dibromo derivative was determined, from which that of nootkatone was inferred.
DEFF Research Database (Denmark)
Fristrup, Peter; Lassen, Peter Rygaard; Tanner, David Ackland
2008-01-01
obtained using DFT/B3LYP calculations, and the differences between experiment and theory are discussed. The absolute configuration at the benzylic position was established as being (R), (S) and (R) for the cis, trans and geminal dimethylsubstituted phenyloxiranes, respectively. In all three cases...
Santoro, Ernesto; Mazzeo, Giuseppe; Petrovic, Ana G; Cimmino, Alessio; Koshoubu, Jun; Evidente, Antonio; Berova, Nina; Superchi, Stefano
2015-08-01
The absolute configuration (AC) of the plant phytotoxin inuloxin A, produced by Inula viscosa, and of the fungal phytotoxin seiricardine A, obtained from Seiridium fungi, pathogen for cypress, has been determined by experimental measurements and theoretical simulations of chiroptical properties of three related methods, namely, Optical Rotatory Dispersion (ORD), Electronic Circular Dichroism (ECD), and Vibrational Circular Dichroism (VCD). Computational prediction by Density Functional Theory (DFT) of VCD spectra and by Time-dependent DFT (TDDFT) of ORD and ECD spectra allowed to assign (7R,8R,10S) AC to naturally occurring (+)-inuloxin A. In the case of compound (-)-seiricardine A, which lacks useful for the analysis UV-Vis absorption, and thus provides a hardly detectable ECD spectrum and quite low ORD values, an introduction of a suitable chromophore by chemical derivatization was performed. The corresponding derivative, 2-O-p-bromobenzoate ester, gave rise to an intense ECD spectrum and higher ORD and VCD values. The comparison of computed spectra with the experimental ones allowed to assign (1S,2R,3aS,4S,5R,7aS) AC to (-)-2-O-p-bromobenzoate ester of seiricardine A and then to (-)-seiricardine A. This study further supports a recent trend of concerted application of more than a single chiroptical technique toward an unambiguous assignment of AC of flexible and complex natural products. Moreover, the use of chemical derivatization, with insertion of suitable chromophoric moieties has allowed to treat also UV-Vis transparent molecules by ECD and ORD spectroscopies. Copyright © 2015 Elsevier Ltd. All rights reserved.
Muñoz, Marcelo A; González, Natalia; Joseph-Nathan, Pedro
2016-07-01
The absolute configuration of the naturally occurring isomers of 6β-benzoyloxy-3α-tropanol (1) has been established by the combined use of chiral high-performance liquid chromatography with electronic circular dichroism detection and optical rotation detection. For this purpose (±)-1, prepared in two steps from racemic 6-hydroxytropinone (4), was subjected to chiral high-performance liquid chromatography with electronic circular dichroism and optical rotation detection allowing the online measurement of both chiroptical properties for each enantiomer, which in turn were compared with the corresponding values obtained from density functional theory calculations. In an independent approach, preparative high-performance liquid chromatography separation using an automatic fraction collector, yielded an enantiopure sample of OR (+)-1 whose vibrational circular dichroism spectrum allowed its absolute configuration assignment when the bands in the 1100-950 cm(-1) region were compared with those of the enantiomers of esters derived from 3α,6β-tropanediol. In addition, an enantiomerically enriched sample of 4, instead of OR (±)-4, was used for the same transformation sequence, whose high-performance liquid chromatography follow-up allowed their spectroscopic correlation. All evidences lead to the OR (+)-(1S,3R,5S,6R) and OR (-)-(1R,3S,5R,6S) absolute configurations, from where it follows that samples of 1 isolated from Knightia strobilina and Erythroxylum zambesiacum have the OR (+)-(1S,3R,5S,6R) absolute configuration, while the sample obtained from E. rotundifolium has the OR (-)-(1R,3S,5R,6S) absolute configuration. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Yuan, H S; Stevens, R C; Bau, R; Mosher, H S; Koetzle, T F
1994-12-20
The absolute configuration of (+)-neopentyl-1-d alcohol, prepared by the reduction of 2,2-dimethylpropanal-1-d by actively fermenting yeast, has been determined to be S by neutron diffraction. The neutron study was carried out on the phthalate half ester of neopentyl-1-d alcohol, crystallized as its strychnine salt. The absolute configuration of the (-)-strychninium cation was first determined by an x-ray anomalous dispersion study of its iodide salt. The chiral skeleton of strychnine then served as a reference from which the absolute configuration of the -O-CHD-C(CH3)3 group of neopentyl phthalate was determined. Difference Fourier maps calculated from the neutron data showed unambiguously that the -O-CHD-C(CH3)3 groups of both independent molecules in the unit cell had the S configuration. This work proves conclusively that the yeast system reduces aldehydes by delivering hydrogen to the re face of the carbonyl group. Crystallographic details: (-)-strychninium (+)-neopentyl-1-d phthalate, space group P2(1) (monoclinic), a = 18.564(6) A, b = 7.713(2) A, c = 23.361(8) A, beta = 94.18(4) degrees, V = 3336.0(5) A3, Z = 2 (T = 100 K). Final agreement factors are R(F) = 0.073 for 2768 reflections collected at room temperature (x-ray analysis) and R(F) = 0.144 for 960 reflections collected at 100 K (neutron analysis).
Energy Technology Data Exchange (ETDEWEB)
Subbotin, O.; Belosludov, V.; Adamova, T. [Russian Academy of Science, Novosibirsk (Russian Federation). Nikolaev Inst. of Inorganic Chemistry; Belosludov, R.; Kawazoe, Y. [Tohoku Univ., Aoba-ku, Sendai (Japan). Inst. for Materials Research; Kudoh, J.I. [Tohoku Univ., Aoba-ku, Sendai (Japan). Center for Northeast Asia Studies
2008-07-01
This paper presented a newly developed method to accurately predict the thermodynamic properties of clathrate hydrates, particularly their structural phase transitions under pressure. The method is based on the theory of Van-der-Waals and Platteeuw with some modifications that include the influence of guest molecules on the host lattice. The model was used to explain the exception from the established rule that small guest molecules form structure s1 and large molecules form structure s2 hydrates. In this study, the thermodynamic properties of argon (Ar) hydrate and methane hydrate, each in both cubic structure s1 and s2 were modelled. The model showed that two competing factors play a role in the formation of inclusions, notably the intermolecular interaction of guest molecules with water molecules, and the configuration entropy. Competition of these 2 factors determines the structure of hydrate formed at different pressures. The model provides an accurate description of the thermodynamic properties of gas hydrates and how they behave under pressure. For the argon hydrates, the structural phase transition from structure s2 to s1 at high pressure was predicted, while methane hydrates were predicted to be metastable in the s2 structure. The model can be used for other inclusion compounds with the same type of composition such as clathrate silicon, zeolites, and inclusion compounds of semiconductor elements. 17 refs., 5 figs.
International Nuclear Information System (INIS)
Santos, L. da S.; Barata, L.E.S.
1990-01-01
The absolute configurarion of (+) surinamensin, a 8.0.4' neolignan, has been determined based on its O-methymandalates esters. Nuclear magnetic resonance and infrared and mass spectroscopy analysis are presented. (C.G.C.) [pt
DEFF Research Database (Denmark)
Lauridsen, A.; Cornett, Claus; Christensen, S. B.
1991-01-01
alpha-beta-Unsaturated esters of allylic alcohols have been shown to exhibit exciton coupling by circular dichroic spectroscopy. This coupling permits the establishment of the absolute configuration. The method was used to prove the absolute configuration at C-2 of archangelolide. Detailed NMR sp...
Ricotta, Carlo
2003-01-01
Traditional diversity measures such as the Shannon entropy are generally computed from the species' relative abundance vector of a given community to the exclusion of species' absolute abundances. In this paper, I first mention some examples where the total information content associated with a given community may be more adequate than Shannon's average information content for a better understanding of ecosystem functioning. Next, I propose a parametric measure of statistical information that contains both Shannon's entropy and total information content as special cases of this more general function.
Czech Academy of Sciences Publication Activity Database
Noohinejad, L.; van Smaalen, S.; Petříček, Václav; Schönleber, A.
2017-01-01
Roč. 73, Jun (2017), s. 836-843 ISSN 2052-5206 R&D Projects: GA ČR(CZ) GA15-12653S Institutional support: RVO:68378271 Keywords : incommensurately modulated structure * morpholinium tetrafluoroborate * configurational entropy Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.032, year: 2016
Energy Technology Data Exchange (ETDEWEB)
Yuan, H.S.H.; Stevens, R.C.; Bau, R. (Univ. of Southern California, Los Angeles, CA (United States)); Mosher, H.S. (Stanford Univ., CA (United States)); Koetzle, T.F. (Brookhaven National Lab., Upton, NY (United States))
1994-12-20
The absolute configuration of (+)-neopentyl-1-d alcohol, prepared by the reduction of 2,2-dimethylpropanol-1-d by actively fermenting yeast, has been determined to be S by neutron diffraction. The neutron study was carried out on the phthalate half ester of neopentyl-1-d alcohol, crystallized as its strychnine salt. The absolute configuration of the (-)-strychninium cation was first determined by an x-ray anomalous dispersion study of its iodide salt. The chiral skeleton of strychnine then served as a reference from which the absolute configuration of the -O-CHD-C(CH[sub 3])[sub 3] group of neopentyl phthalate was determined. Difference Fourier maps calculated from the neutron data showed unambiguously that the -O-CHD-C(CH[sub 3])[sub 3] groups of both independent molecules in the unit cell had the S configuration. This work proves conclusively that the yeast system reduces aldehydes by delivering hydrogen to the re face of the carbonyl group. Crystallographic details: (-)-strychninium (+)-neopentyl-1-d phthalate, space group P2[sub 1] (monoclinic), a = 18.564(6) [angstrom], b = 7.713(2) [angstrom], c = 23.361(8) [angstrom], [beta] = 94.18(4)[degrees], V = 3336.0(5) [angstrom][sup 3], Z = 2 (T = 100 K). Final agreement factors are R(F) = 0.073 for 2768 reflections collected at room temperature (x-ray analysis) and R(F) = 0.144 for 960 reflections collected at 100 K (neutron analysis). 49 refs., 7 figs., 2 tabs.
International Nuclear Information System (INIS)
Le Floch, Sebastien; Salvade, Yves; Droz, Nathalie; Mitouassiwou, Rostand; Favre, Patrick
2010-01-01
We present a new superheterodyne technique for long-distance measurements by two-wavelength interferometry (TWI). While conventional systems use two acousto-optic modulators to generate two different heterodyne frequencies, here the two frequencies result from synchronized sweeps of optical and radio frequencies. A distributed feedback laser source is injected in an intensity modulator that is driven at the half-wave voltage mode. A radio-frequency signal is applied to this intensity modulator to generate two optical sidebands around the optical carrier. This applied radio frequency consists of a digital ramp between 13 and 15 GHz, with 1 ms duration and with an accuracy of better than 1 ppm. Simultaneously, the laser source is frequency modulated by a current modulation that is synchronized on the radio-frequency ramp as well as on a triangle waveform. These two frequency-swept optical signals at the output of the modulator illuminate a Michelson interferometer and create two distinct distance-dependent heterodyne frequencies on the photodetector. The superheterodyne signal is then detected and bandpass filtered to retrieve the absolute distance measurement. Experiments between 1 and 15 m confirm the validity of this new concept, leading to a distance accuracy of ± 50 μm for a 1 ms acquisition time.
Directory of Open Access Journals (Sweden)
Felipe Camargo Braga
2012-06-01
Full Text Available The use of microorganisms or isolated enzymes in synthetic routes has been extensively used by industry and academic research. A great advantage of biotransformation in a synthetic route is highly regio- and enatiosselective control, which can be achieved through microbial catalyzed reaction. Biotransformation is one of the most efficient methods in a production of high purity optical compounds and development of efficient routes for target molecules. Biotransformation by Mucor ramosissimus of enedione 1 gave the keto-alcohol (--2 with enantiomeric excess (ee>99,9% (determined by 1H NMR with [(+-Eu(hfc]3 and their epimer (--3. Determination of the absolute configuration of epimer (--3 was accomplished by controlled reaction and measuring of optical rotation (scheme 1. The fungus M. ramosissimus is a promising species to perform desymmetrization of diketones with high enantioselectivity.
Energy Technology Data Exchange (ETDEWEB)
Tal, B.; Nagy, D.; Veres, G. [Institute for Particle and Nuclear Physics, Wigner Research Centre for Physics, Hungarian Academy of Sciences, Association EURATOM, P. O. Box 49, H-1525 Budapest (Hungary); Labit, B.; Chavan, R.; Duval, B. [Ecole Polytechnique Fédérale de Lausanne (EPFL), Centre de Recherches en Physique des Plasmas, Association EURATOM-Confédération Suisse, EPFL SB CRPP, Station 13, CH-1015 Lausanne (Switzerland)
2013-12-15
We introduce an upgraded version of a tomographical system which is built up from Absolute Extreme Ultraviolet-type (AXUV) detectors and has been installed on the Tokamak à Configuration Variable (TCV). The system is suitable for the investigation of fast radiative processes usually observed in magnetically confined high-temperature plasmas. The upgrade consists in the detector protection by movable shutters, some modifications to correct original design errors and the improvement in the data evaluation techniques. The short-term sensitivity degradation of the detectors, which is caused by the plasma radiation itself, has been monitored and found to be severe. The results provided by the system are consistent with the measurements obtained with the usual plasma radiation diagnostics installed on TCV. Additionally, the coupling between core plasma radiation and plasma-wall interaction is revealed. This was impossible with other available diagnostics on TCV.
International Nuclear Information System (INIS)
Cardemil, José M.; Silva, Alexandre K. da
2016-01-01
Highlights: • Thermodynamic modeling of CO_2-based power cycles. • A multi-parameter analysis for different cycle configurations. • Performance comparison between CO_2 and four other fluids. • Detailed discussion considering optimized operational parameters (i.e., pressure, HX size). • Overview of the technical applicability of the CO_2. - Abstract: This thermodynamically based study focuses on the thermal performance of power cycles using CO_2 as the working fluid. The work considers numerous aspects that can influence the cycle's performance, such as the type of cycle (i.e., Rankine or Brayton), its configuration (i.e., with and without a recuperator), and different operational conditions (i.e., heat source temperature and the upper and lower operating pressures of the CO_2). To account for all possible scenarios, a thermodynamic routine was especially implemented and linked to a library that contained all the thermodynamics properties of CO_2. The results are mostly presented in terms of the absolute and relative 1st and 2nd Law efficiencies of CO_2 as well as the cycle's scale, here represented by the global conductance (UA) of the heat exchangers used within the cycle. For the relative performance assessment, four other working fluids, commonly used in energy conversion cycles, were considered (i.e., ethane, toluene, D4 siloxane and water). As expected, the absolute performance results indicate a strong dependence of the cycle's efficiencies on the operational conditions. As for the relative performance, the results suggest that while the CO_2's 1st Law efficiency might be lower than other fluids, its exergetic efficiency can be significantly higher. Furthermore, the calculations also indicate that the CO_2's needed global conductance is potentially lower than competing fluids (e.g., toluene) for certain operational conditions, which suggests that CO_2-based power plants can be more compact, since they might require smaller heat exchangers to produce
Investigating the Configurations in Cross-Shareholding: A Joint Copula-Entropy Approach
Directory of Open Access Journals (Sweden)
Roy Cerqueti
2018-02-01
Full Text Available The complex nature of the interlacement of economic actors is quite evident at the level of the Stock market, where any company may actually interact with the other companies buying and selling their shares. In this respect, the companies populating a Stock market, along with their connections, can be effectively modeled through a directed network, where the nodes represent the companies, and the links indicate the ownership. This paper deals with this theme and discusses the concentration of a market. A cross-shareholding matrix is considered, along with two key factors: the node out-degree distribution which represents the diversification of investments in terms of the number of involved companies, and the node in-degree distribution which reports the integration of a company due to the sales of its own shares to other companies. While diversification is widely explored in the literature, integration is most present in literature on contagions. This paper captures such quantities of interest in the two frameworks and studies the stochastic dependence of diversification and integration through a copula approach. We adopt entropies as measures for assessing the concentration in the market. The main question is to assess the dependence structure leading to a better description of the data or to market polarization (minimal entropy or market fairness (maximal entropy. In so doing, we derive information on the way in which the in- and out-degrees should be connected in order to shape the market. The question is of interest to regulators bodies, as witnessed by specific alert threshold published on the US mergers guidelines for limiting the possibility of acquisitions and the prevalence of a single company on the market. Indeed, all countries and the EU have also rules or guidelines in order to limit concentrations, in a country or across borders, respectively. The calibration of copulas and model parameters on the basis of real data serves as an
Directory of Open Access Journals (Sweden)
Celia Bustos-Brito
2016-09-01
Full Text Available Chemical investigation of the leaves from Ageratina glabrata yielded four new thymol derivatives, namely: 10-benzoyloxy-8,9-dehydro-6-hydroxythymol isobutyrate (4, 10-benzoyloxy-8,9-dehydrothymol (5, 10-benzoyloxythymol (6 and 10-benzoyloxy-6,8-dihydroxy-9-isobutyryl-oxythymol (7. In addition, (8S-10-benzoyloxy-8,9-epoxy-6-hydroxythymol isobutyrate (1, together with other two already known thymol derivatives identified as 10-benzoyloxy-8,9-epoxy-6-methoxythymol isobutyrate (2 and 10-benzoyloxy-8,9-epoxythymol isobutyrate (3 were also obtained. In this paper, we report the structures and complete assignments of the 1H and 13C-NMR data of compounds 1–7, and the absolute configuration for compound 1, unambiguously established by single crystal X-ray diffraction, and evaluation of the Flack parameter. The in vitro antiprotozoal assay showed that compound 1 and its derivative 1a were the most potent antiamoebic and antigiardial compounds. Both compounds showed selectivity and good antiamoebic activity comparable to emetine and metronidazole, respectively, two antiprotozoal drugs used as positive controls. In relation to anti-propulsive effect, compound 1 and 1a showed inhibitory activity, with activities comparable to quercetin and compound 9, two natural antipropulsive compounds used as positive controls. These data suggest that compound 1 may play an important role in antidiarrheal properties of Ageratina glabrata.
Covington, Cody L; Nicu, Valentin P; Polavarapu, Prasad L
2015-10-22
Quantum chemical (QC) predictions of vibrational circular dichroism (VCD) spectra for the keto form of 3-benzoylcamphor and conformationally flexible diacetates of spiroindicumide A and B are presented. The exciton chirality (EC) model has been briefly reviewed, and a procedure to evaluate the relevance of the EC model has been presented. The QC results are compared with literature experimental VCD spectra as well as with those obtained using the EC model for VCD. These comparisons reveal that the EC contributions to bisignate VCD couplets associated with the C═O stretching vibrations of benzoylcamphor, spiroindicumide A diacetate, and spiroindicumide B diacetate are only ∼30%, ∼3%, and ∼15%, respectively. With such meager EC contributions, the correct absolute configurations (ACs) suggested in the literature for spiroindicumide A diacetate and spiroindicumide B diacetate molecules using the EC concepts can be considered fortuitous. The possibilities for obtaining wrong AC predictions using the EC concepts for VCD are identified, and guidelines for the future use of this model are presented.
DEFF Research Database (Denmark)
Rúnarsson, Ögmundur Vidar; Benkhäuser, Christian; Christensen, Niels Johan
2015-01-01
) and electronic circular dichroism (ECD) spectra. The absolute configuration of (-)-2 was determined by comparing experimental and calculated electronic circular dichroism (ECD) spectra. The corresponding theoretical spectra were calculated using the lowest energy conformation of (R,R)-2 and (S,S)-2 at the B3LYP...
Czech Academy of Sciences Publication Activity Database
Scafato, P.; Caprioli, F.; Pisani, L.; Padula, Daniele; Santoro, F.; Mazzeo, G.; Abbate, S.; Lebon, F.; Longhi, G.
2013-01-01
Roč. 69, č. 50 (2013), s. 10752-10762 ISSN 0040-4020 Institutional support: RVO:61388963 Keywords : ORD * ECD * VCD * vibronic features * absolute configuration * conformations * phenyl hindered rotation Subject RIV: CC - Organic Chemistry Impact factor: 2.817, year: 2013
Polavarapu, Prasad L.; Donahue, Emily A.; Shanmugam, Ganesh; Scalmani, Giovanni; Hawkins, Edward K.; Rizzo, Carmelo; Ibnusaud, Ibrahim; Thomas, Grace; Habel, Deenamma; Sebastian, Dellamol
2013-01-01
Electronic circular dichroism (ECD), optical rotatory dispersion (ORD), and vibrational circular dichroism (VCD) spectra of hibiscus acid dimethyl ester have been measured and analyzed in combination with quantum chemical calculations of corresponding spectra. These results, along with those reported previously for garcinia acid dimethyl ester, reveal that none of these three (ECD, ORD, or VCD) spectroscopic methods, in isolation, can unequivocally establish the absolute configurations of diastereomers. This deficiency is eliminated when a combined spectral analysis of either ECD and VCD or ORD and VCD methods is used. It is also found that the ambiguities in the assignment of absolute configurations of diastereomers may also be overcome when unpolarized vibrational absorption is included in the spectral analysis. PMID:21568330
Czech Academy of Sciences Publication Activity Database
Lagoutte, Roman; Šebesta, Petr; Jiroš, Pavel; Kalinová, Blanka; Jirošová, Anna; Straka, J.; Černá, K.; Šobotník, Jan; Cvačka, Josef; Jahn, Ullrich
2013-01-01
Roč. 19, č. 26 (2013), s. 8515-8524 ISSN 0947-6539 R&D Projects: GA ČR GAP506/10/1466 Institutional support: RVO:61388963 Keywords : asymmetric synthesis * configuration determination * pheromones * total synthesis * Wittig reactions Subject RIV: CC - Organic Chemistry Impact factor: 5.696, year: 2013
Energy Technology Data Exchange (ETDEWEB)
Andrade, Francisco A. da C.; Mendes, Maricleide P. de L.; Fonseca, Neuracy C. da, E-mail: fandrade@ufba.br [Universidade Federal da Bahia (UFBA), Salvador, BA (Brazil). Instituto de Quimica. Departamento de Quimica Organica
2013-06-15
The mandelic, atrolactic and lactic acid esters of the (S)-2-methyl-1-butanol were examined as diastereomeric derivatives for the stereochemical analysis of the mentioned acids by {sup 1}H nuclear magnetic resonance (NMR) at 300 MHz. The diastereomeric esters showed distinctive signals in the methylenic absorption range (O-CH{sub 2}-CH) of the alcoholic moieties. By spectral analysis at this region, absolute configurations were attributed, chemical shifts of the correspondent pro-(R) and pro-(S) hydrogens from the methylene group of the alcohol moiety were assigned and enantiomeric compositions were determined for the original partially resolved acids. (author)
Kobayashi, M; Okamoto, T; Hayashi, K; Yokoyama, N; Sasaki, T; Kitagawa, I
1994-02-01
Cytotoxic sesterterpenes, manoalide 25-acetals (1a, 1b), seco-manoalide (2), (E)-neomanoalide (3), (Z)-neomanoalide (4), and heteronemin (6), were isolated from the marine sponge Hyrtios erecta (collected at Amami Island, Kagoshima Prefecture, Japan) by bioassay-guided separation and the absolute configurations of these manoalide family members have been determined. Manoalide 25-acetals (1a, 1b) were shown to exhibit in vivo antitumor activity and to inhibit the DNA-relaxing activity of mouse DNA topoisomerase I and the DNA-unknotting activity of calf thymus DNA topoisomerase II.
Padula, Daniele; Di Bari, Lorenzo; Pescitelli, Gennaro
2016-09-02
In 1997, Sandström and co-workers reported the case of two chiral spiro compounds with very similar skeletons but showing almost mirror-image electronic circular dichroism (ECD) spectra for the corresponding absolute configuration. The paper has been often cited as a proof and good educational example of the pronounced sensitivity of ECD toward molecular conformation, and a clear warning against the use of ECD spectral correlations to assign absolute configurations. Although both concepts remain valid, they are not exemplified by the quoted paper. We demonstrate that the original configurational assignment of one compound was wrong and revise it by using TDDFT calculations. The main reason for the observed failure is the use of the matrix method, a popular approach to predict ECD spectra of compounds which can be treated with an independent system approximation (ISA), including proteins. Using a modern version of the matrix method, we demonstrate that the ISA is not valid for the title compound. Even in the absence of apparent conjugation between the component chromophores, the validity of the ISA should never be taken for granted and the effective extent of orbital overlap should always be verified.
Explaining the entropy concept and entropy components
Directory of Open Access Journals (Sweden)
Marko Popovic
2018-04-01
Full Text Available Total entropy of a thermodynamic system consists of two components: thermal entropy due to energy, and residual entropy due to molecular orientation. In this article, a three-step method for explaining entropy is suggested. Step one is to use a classical method to introduce thermal entropy STM as a function of temperature T and heat capacity at constant pressure Cp: STM = ∫(Cp/T dT. Thermal entropy is the entropy due to uncertainty in motion of molecules and vanishes at absolute zero (zero-point energy state. It is also the measure of useless thermal energy that cannot be converted into useful work. The next step is to introduce residual entropy S0 as a function of the number of molecules N and the number of distinct orientations available to them in a crystal m: S0 = N kB ln m, where kB is the Boltzmann constant. Residual entropy quantifies the uncertainty in molecular orientation. Residual entropy, unlike thermal entropy, is independent of temperature and remains present at absolute zero. The third step is to show that thermal entropy and residual entropy add up to the total entropy of a thermodynamic system S: S = S0 + STM. This method of explanation should result in a better comprehension of residual entropy and thermal entropy, as well as of their similarities and differences. The new method was tested in teaching at Faculty of Chemistry University of Belgrade, Serbia. The results of the test show that the new method has a potential to improve the quality of teaching.
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Sadia Sultan
2014-09-01
Full Text Available The anti-inflammatory drug predinisolone (1 was reduced to 20β-hydroxyprednisolone (2 by the marine endophytic fungus Penicilium lapidosum isolated from an alga. The structural elucidation of 2 was achieved by 1D- and 2D-NMR, MS, IR data. Although, 2 is a known compound previously obtained through microbial transformation, the data provided failed to prove the C20 stereochemistry. To solve this issue, DFT and TD-DFT calculations have been carried out at the B3LYP/6–31+G (d,p level of theory in gas and solvent phase. The absolute configuration of C20 was eventually assigned by combining experimental and calculated electronic circular dichroism spectra and 3JHH chemical coupling constants.
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Xiao Jiang
2015-06-01
Full Text Available Pyrrolizidine alkaloid-containing plants are widespread in the world and probably the most common poisonous plants affecting livestock, wildlife, and humans. Pyrrolizidine alkaloids require metabolic activation to form dehydropyrrolizidine alkaloids that bind to cellular proteins and DNA leading to hepatotoxicity, genotoxicity, and tumorigenicity. At present, it is not clear how dehydropyrrolizidine alkaloids bind to cellular amino acids and proteins to induced toxicity. We previously reported that reaction of dehydromonocrotaline with valine generated four highly unstable 6,7-dihydro-7-hydroxy-1-hydroxymethyl-5H-pyrrolizine (DHP-derived valine (DHP-valine adducts that upon reaction with phenyl isothiocyanate (PITC formed four DHP-valine-PITC adduct isomers. In this study, we report the absolute configuration and stability of DHP-valine and DHP-valine-PITC adducts, and the mechanism of interconversion between DHP-valine-PITC adducts.
Cerulli, Antonietta; Lauro, Gianluigi; Masullo, Milena; Cantone, Vincenza; Olas, Beata; Kontek, Bogdan; Nazzaro, Filomena; Bifulco, Giuseppe; Piacente, Sonia
2017-06-23
The methanol extract of the leafy covers of Corylus avellana, source of the Italian PGI (protected geographical indication) product "Nocciola di Giffoni", afforded two new cyclic diarylheptanoids, giffonins T and U (2 and 3), along with two known cyclic diarylheptanoids, a quinic acid, flavonoid-, and citric acid derivatives. The structures of giffonins T and U were determined as highly hydroxylated cyclic diarylheptanoids by 1D and 2D NMR experiments. Their relative configurations were assigned by a combined quantum mechanical/NMR approach, comparing the experimental 13 C/ 1 H NMR chemical shift data and the related predicted values. The absolute configurations of carpinontriol B (1) and giffonins T and U (2 and 3) were assigned by comparison of their experimental electronic circular dichroism curves with the TDDFT-predicted curves. The ability of the compounds to inhibit the lipid peroxidation induced by H 2 O 2 and H 2 O 2 /Fe 2+ was determined by measuring the concentration of thiobarbituric acid reactive substances. Furthermore, the antimicrobial activity of the methanol extract of leafy covers of C. avellana and of the isolated compounds against the Gram-positive strains Bacillus cereus and Staphylococcus aureus and the Gram-negative strains Escherichia coli and Pseudomonas aeruginosa was evaluated. Carpinontriol B (1) and giffonin U (3) at 40 μg/disk caused the formation of zones of inhibition.
International Nuclear Information System (INIS)
Minamoto, Satoshi; Kato, Masato; Konashi, Kenji
2011-01-01
Combination of an oxygen vacancy formation energy calculated using first-principles approach and the configurational entropy change treated within the framework of statistical mechanics gives an expression of the Gibbs free energy at large deviation from stoichiometry of plutonium oxide PuO 2 . An oxygen vacancy formation energy 4.20 eV derived from our previously first-principles calculation was used to evaluate the Gibbs free energy change due to oxygen vacancies in the crystal. The oxygen partial pressures then can be evaluated from the change of the free energy with two fitting parameters (a vacancy-vacancy interaction energy and vibration entropy change due to induced vacancies). Derived thermodynamic expression for the free energy based on the SGTE thermodynamic data for the stoichiometric PuO 2 and the Pu 2 O 3 compounds was further incorporated into the CALPHAD modeling, then phase equilibrium between the stoichiometric Pu 2 O 3 and non-stoichiometric PuO 2-x were reproduced.
Energy Technology Data Exchange (ETDEWEB)
Minamoto, Satoshi, E-mail: satoshi.minamoto@ctc-g.co.jp [ITOCHU Techno-Solutions Corporation, Kasumigaseki, 2-5, Kasumigaseki 3-chome, Chiyoda-ku, Tokyo 100-6080 (Japan); Kato, Masato [Japan Atomic Energy Agency, Tokai-mura, Naka-gun, Ibaraki (Japan); Konashi, Kenji [Institute for Materials Research, Tohoku University, Oarai-chou, Ibaraki (Japan)
2011-05-31
Combination of an oxygen vacancy formation energy calculated using first-principles approach and the configurational entropy change treated within the framework of statistical mechanics gives an expression of the Gibbs free energy at large deviation from stoichiometry of plutonium oxide PuO{sub 2}. An oxygen vacancy formation energy 4.20 eV derived from our previously first-principles calculation was used to evaluate the Gibbs free energy change due to oxygen vacancies in the crystal. The oxygen partial pressures then can be evaluated from the change of the free energy with two fitting parameters (a vacancy-vacancy interaction energy and vibration entropy change due to induced vacancies). Derived thermodynamic expression for the free energy based on the SGTE thermodynamic data for the stoichiometric PuO{sub 2} and the Pu{sub 2}O{sub 3} compounds was further incorporated into the CALPHAD modeling, then phase equilibrium between the stoichiometric Pu{sub 2}O{sub 3} and non-stoichiometric PuO{sub 2-x} were reproduced.
Energy Technology Data Exchange (ETDEWEB)
Silva, Alexandre Fonseca Povoa da, E-mail: alexandre.povoa@mar.mil.br [Centro Tecnologico da Marinha em Sao Paulo (CTMSP), Sao Paulo, SP (Brazil); Bitelli, Ulysses d' Utra; Mura, Luiz Ernesto Credidio; Lima, Ana Cecilia de Souza; Betti, Flavio; Santos, Diogo Feliciano dos, E-mail: ubitelli@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)
2015-07-01
The use of neutron activation foils is a widely spread technique applied to obtain nuclear parameters then comparing the results with those calculated using specific methodologies and available nuclear data. By irradiation of activation foils and subsequent measurement of its induced activity, it is possible to determine the neutron flux at the position of irradiation. The power level during operation of the reactor is a parameter which is directly proportional to the average neutron flux throughout the core. The objective of this work is to gather data from irradiation of gold foils symmetrically placed along a cylindrically configured core which presents only a small excess reactivity in order to derive the power generated throughout the spatial thermal and epithermal neutron flux distribution over the core of the IPEN/MB-01 Nuclear Reactor, eventually lending to a proper calibration of its nuclear channels. The foils are fixed in a Lucite plate then irradiated with and without cadmium sheaths so as to obtain the absolute thermal and epithermal neutron flux. The correlation between the average power neutron flux resulting from the gold foils irradiation, and the average power digitally indicated by the nuclear channel number 6, allows for the calibration of the nuclear channels of the reactor. The reactor power level obtained by thermal neutron flux mapping was (74.65 ± 2.45) watts to a mean counting per seconds of 37881 cps to nuclear channel number 10 a pulse detector, and 0.719.10{sup -5} ampere to nuclear linear channel number 6 (a non-compensated ionization chamber). (author)
Directory of Open Access Journals (Sweden)
Takagi Yasuyo
2000-01-01
Full Text Available Asymmetric Michael addition of the enamine derived from 2,2-dimethylcyclopentanecarbox-aldehyde and (S-prolinol methyl ether to nitroethylene afforded the adduct of 75-76% ee, which finally yielded enantiomerically pure (+-polyzonimine, a nitrogen-containing spirocyclic compound isolated from the defensive glands of a milliped, Polyzonium rosalbum. By converting (+-polyzonimine into (4S,5R,6S-(+-nitropolyzonamine, the hitherto uncertain absolute configuration of the former was established as S.
Lee, Bum Han; Lee, Sung Keun
2013-07-01
Despite the importance of understanding and quantifying the microstructure of porous networks in diverse geologic settings, the effects of the specific surface area and porosity on the key structural parameters of the networks have not been fully understood. We performed cube-counting fractal dimension (Dcc) and lacunarity analyses of 3D porous networks of model sands and configurational entropy analysis of 2D cross sections of model sands using random packing simulations and nuclear magnetic resonance (NMR) micro-imaging. We established relationships among porosity, specific surface area, structural parameters (Dcc and lacunarity), and the corresponding macroscopic properties (configurational entropy and permeability). The Dcc of the 3D porous networks increases with increasing specific surface area at a constant porosity and with increasing porosity at a constant specific surface area. Predictive relationships correlating Dcc, specific surface area, and porosity were also obtained. The lacunarity at the minimum box size decreases with increasing porosity, and that at the intermediate box size (∼0.469 mm in the current model sands) was reproduced well with specific surface area. The maximum configurational entropy increases with increasing porosity, and the entropy length of the pores decreases with increasing specific surface area and was used to calculate the average connectivity among the pores. The correlation among porosity, specific surface area, and permeability is consistent with the prediction from the Kozeny-Carman equation. From the relationship between the permeability and the Dcc of pores, the permeability can be expressed as a function of the Dcc of pores and porosity. The current methods and these newly identified correlations among structural parameters and properties provide improved insights into the nature of porous media and have useful geophysical and hydrological implications for elasticity and shear viscosity of complex composites of rock
Mang, Chao-Yong; Liu, Cai-Ping; Liu, Guang-Ming; Jiang, Bei; Lan, Hai; Wu, Ke-Chen; Yan, Ya; Li, Hai-Fei; Yang, Ming-Hui; Zhao, Yu
2015-02-01
A cyclic dipeptide often has the multiple configurations and the abundant conformations. The density functional theory (DFT) method is used to search the preferred conformation of the most probable configuration for cordycedipeptide A isolated from the culture liquid of Cordyceps sinensis. The time-dependent DFT approach is exploited to describe the profile of electronic circular dichroism (CD). The calculated results show that the most probable configuration is 3S6R7S, whose preferred conformation has a negative optical rotation and a positive lowest energy electronic CD band.
Adjoint entropy vs topological entropy
Giordano Bruno, Anna
2012-01-01
Recently the adjoint algebraic entropy of endomorphisms of abelian groups was introduced and studied. We generalize the notion of adjoint entropy to continuous endomorphisms of topological abelian groups. Indeed, the adjoint algebraic entropy is defined using the family of all finite-index subgroups, while we take only the subfamily of all open finite-index subgroups to define the topological adjoint entropy. This allows us to compare the (topological) adjoint entropy with the known topologic...
Ferrarini, Alberta; Ferroni, Fiammetta; Pieraccini, Silvia; Rosini, Carlo; Superchi, Stefano; Spada, Gian Piero
2011-10-01
The conversion into 6,7-dihydro-5H-dibenz[c,e]azepine (DAZ) N-protected amides is a viable route for the determination of the absolute configuration of chiral 2-substituted carboxylic acids. The biphenyl moiety of DAZ, besides being a probe of chirality for the electronic circular dichroism (ECD) spectroscopy, makes these systems suitable for configuration assignment by exploiting the chirality amplification which occurs in nematic liquid crystals. To assess the reliability of the liquid crystal method in detecting the absolute stereochemistry of chiral amides bound to a biphenyl group, we measured the helical twisting power of a series of DAZ-N-protected amides and compared these data with the results obtained from ECD measurements. We will show that the liquid crystal method, corroborated by HTP predictions, is trustworthy with our biphenyl derivatives, even when ECD spectra are ambiguous for the presence of aryl moieties displaying strong UV absorptions in the same range of the biphenyl chromophore. © 2011 Wiley-Liss, Inc.
Stephens, P J; McCann, D M; Devlin, F J; Smith, A B
2006-07-01
The determination of the absolute configurations (ACs) of chiral molecules using the chiroptical techniques of optical rotation (OR), electronic circular dichroism (ECD), and vibrational circular dichroism (VCD) has been revolutionized by the development of density functional theory (DFT) methods for the prediction of these properties. Here, we demonstrate the significance of these advances for the stereochemical characterization of natural products. Time-dependent DFT (TDDFT) calculations of the specific rotations, [alpha](D), of four cytotoxic natural products, quadrone (1), suberosenone (2), suberosanone (3), and suberosenol A acetate (4), are used to assign their ACs. TDDFT calculations of the ECD of 1 are used to assign its AC. The VCD spectrum of 1 is reported and also used, together with DFT calculations, to assign its AC. The ACs of 1 derived from its [alpha](D), ECD, and VCD are identical and in agreement with the AC previously determined via total synthesis. The previously undetermined ACs of 2-4, derived from their [alpha](D) values, have absolute configurations of their tricyclic cores identical to that of 1. Further studies of the ACs of these molecules using ECD and, especially, VCD are recommended to establish more definitively this finding. Our studies of the OR, ECD, and VCD of quadrone are the first to utilize DFT calculations of all three properties for the determination of the AC of a chiral natural product molecule.
J.G.M. van Marrewijk (Charles)
2008-01-01
textabstractA country is said to have an absolute advantage over another country in the production of a good or service if it can produce that good or service using fewer real resources. Equivalently, using the same inputs, the country can produce more output. The concept of absolute advantage can
International Nuclear Information System (INIS)
Baccetti, Valentina; Visser, Matt
2013-01-01
Even if a probability distribution is properly normalizable, its associated Shannon (or von Neumann) entropy can easily be infinite. We carefully analyze conditions under which this phenomenon can occur. Roughly speaking, this happens when arbitrarily small amounts of probability are dispersed into an infinite number of states; we shall quantify this observation and make it precise. We develop several particularly simple, elementary, and useful bounds, and also provide some asymptotic estimates, leading to necessary and sufficient conditions for the occurrence of infinite Shannon entropy. We go to some effort to keep technical computations as simple and conceptually clear as possible. In particular, we shall see that large entropies cannot be localized in state space; large entropies can only be supported on an exponentially large number of states. We are for the time being interested in single-channel Shannon entropy in the information theoretic sense, not entropy in a stochastic field theory or quantum field theory defined over some configuration space, on the grounds that this simple problem is a necessary precursor to understanding infinite entropy in a field theoretic context. (paper)
Nonsymmetric entropy and maximum nonsymmetric entropy principle
International Nuclear Information System (INIS)
Liu Chengshi
2009-01-01
Under the frame of a statistical model, the concept of nonsymmetric entropy which generalizes the concepts of Boltzmann's entropy and Shannon's entropy, is defined. Maximum nonsymmetric entropy principle is proved. Some important distribution laws such as power law, can be derived from this principle naturally. Especially, nonsymmetric entropy is more convenient than other entropy such as Tsallis's entropy in deriving power laws.
International Nuclear Information System (INIS)
De Nicola, Sergio; Fedele, Renato; Man'ko, Margarita A; Man'ko, Vladimir I
2007-01-01
The tomographic-probability description of quantum states is reviewed. The symplectic tomography of quantum states with continuous variables is studied. The symplectic entropy of the states with continuous variables is discussed and its relation to Shannon entropy and information is elucidated. The known entropic uncertainty relations of the probability distribution in position and momentum of a particle are extended and new uncertainty relations for symplectic entropy are obtained. The partial case of symplectic entropy, which is optical entropy of quantum states, is considered. The entropy associated to optical tomogram is shown to satisfy the new entropic uncertainty relation. The example of Gaussian states of harmonic oscillator is studied and the entropic uncertainty relations for optical tomograms of the Gaussian state are shown to minimize the uncertainty relation
International Nuclear Information System (INIS)
Maes, Christian
2012-01-01
In contrast to the quite unique entropy concept useful for systems in (local) thermodynamic equilibrium, there is a variety of quite distinct nonequilibrium entropies, reflecting different physical points. We disentangle these entropies as they relate to heat, fluctuations, response, time asymmetry, variational principles, monotonicity, volume contraction or statistical forces. However, not all of those extensions yield state quantities as understood thermodynamically. At the end we sketch how aspects of dynamical activity can take over for obtaining an extended Clausius relation.
Editorial: Entropy in Landscape Ecology
Directory of Open Access Journals (Sweden)
Samuel A. Cushman
2018-04-01
Full Text Available Entropy and the second law of thermodynamics are the central organizing principles of nature, but the ideas and implications of the second law are poorly developed in landscape ecology. The purpose of this Special Issue “Entropy in Landscape Ecology” in Entropy is to bring together current research on applications of thermodynamics in landscape ecology, to consolidate current knowledge and identify key areas for future research. The special issue contains six articles, which cover a broad range of topics including relationships between entropy and evolution, connections between fractal geometry and entropy, new approaches to calculate configurational entropy of landscapes, example analyses of computing entropy of landscapes, and using entropy in the context of optimal landscape planning. Collectively these papers provide a broad range of contributions to the nascent field of ecological thermodynamics. Formalizing the connections between entropy and ecology are in a very early stage, and that this special issue contains papers that address several centrally important ideas, and provides seminal work that will be a foundation for the future development of ecological and evolutionary thermodynamics.
Phillips, Alfred, Jr.
Summ means the entirety of the multiverse. It seems clear, from the inflation theories of A. Guth and others, that the creation of many universes is plausible. We argue that Absolute cosmological ideas, not unlike those of I. Newton, may be consistent with dynamic multiverse creations. As suggested in W. Heisenberg's uncertainty principle, and with the Anthropic Principle defended by S. Hawking, et al., human consciousness, buttressed by findings of neuroscience, may have to be considered in our models. Predictability, as A. Einstein realized with Invariants and General Relativity, may be required for new ideas to be part of physics. We present here a two postulate model geared to an Absolute Summ. The seedbed of this work is part of Akhnaton's philosophy (see S. Freud, Moses and Monotheism). Most important, however, is that the structure of human consciousness, manifest in Kenya's Rift Valley 200,000 years ago as Homo sapiens, who were the culmination of the six million year co-creation process of Hominins and Nature in Africa, allows us to do the physics that we do. .
Indian Academy of Sciences (India)
Abstract. It is shown that (i) every probability density is the unique maximizer of relative entropy in an appropriate class and (ii) in the class of all pdf f that satisfy. ∫ fhi dμ = λi for i = 1, 2,...,...k the maximizer of entropy is an f0 that is pro- portional to exp(. ∑ ci hi ) for some choice of ci . An extension of this to a continuum of.
Indian Academy of Sciences (India)
It is shown that (i) every probability density is the unique maximizer of relative entropy in an appropriate class and (ii) in the class of all pdf that satisfy ∫ f h i d = i for i = 1 , 2 , … , … k the maximizer of entropy is an f 0 that is proportional to exp ( ∑ c i h i ) for some choice of c i . An extension of this to a continuum of ...
Directory of Open Access Journals (Sweden)
Tommaso Toffoli
2016-06-01
Full Text Available Here we deconstruct, and then in a reasoned way reconstruct, the concept of “entropy of a system”, paying particular attention to where the randomness may be coming from. We start with the core concept of entropy as a count associated with a description; this count (traditionally expressed in logarithmic form for a number of good reasons is in essence the number of possibilities—specific instances or “scenarios”—that match that description. Very natural (and virtually inescapable generalizations of the idea of description are the probability distribution and its quantum mechanical counterpart, the density operator. We track the process of dynamically updating entropy as a system evolves. Three factors may cause entropy to change: (1 the system’s internal dynamics; (2 unsolicited external influences on it; and (3 the approximations one has to make when one tries to predict the system’s future state. The latter task is usually hampered by hard-to-quantify aspects of the original description, limited data storage and processing resource, and possibly algorithmic inadequacy. Factors 2 and 3 introduce randomness—often huge amounts of it—into one’s predictions and accordingly degrade them. When forecasting, as long as the entropy bookkeping is conducted in an honest fashion, this degradation will always lead to an entropy increase. To clarify the above point we introduce the notion of honest entropy, which coalesces much of what is of course already done, often tacitly, in responsible entropy-bookkeping practice. This notion—we believe—will help to fill an expressivity gap in scientific discourse. With its help, we shall prove that any dynamical system—not just our physical universe—strictly obeys Clausius’s original formulation of the second law of thermodynamics if and only if it is invertible. Thus this law is a tautological property of invertible systems!
Cryogenic, Absolute, High Pressure Sensor
Chapman, John J. (Inventor); Shams. Qamar A. (Inventor); Powers, William T. (Inventor)
2001-01-01
A pressure sensor is provided for cryogenic, high pressure applications. A highly doped silicon piezoresistive pressure sensor is bonded to a silicon substrate in an absolute pressure sensing configuration. The absolute pressure sensor is bonded to an aluminum nitride substrate. Aluminum nitride has appropriate coefficient of thermal expansion for use with highly doped silicon at cryogenic temperatures. A group of sensors, either two sensors on two substrates or four sensors on a single substrate are packaged in a pressure vessel.
Entropy of self-gravitating radiation
International Nuclear Information System (INIS)
Sorkin, R.D.; Wald, R.M.; Jiu, Z.Z.
1981-01-01
The entropy of self-gravitating radiation confined to a spherical box of radius R is examined in the context of general relativity. It is expected that configurations (i.e., initial data) which extremize total entropy will be spherically symmetric, time symmetric distributions of radiation in local thermodynamic equilibrium. Assuming this is the case, it is proved that extrema of S coincide precisely with static equilibrium configurations of the radiation fluid. Furthermore, dynamically stable equilibrium configurations are shown to coincide with local maxima of S. The equilibrium configurations and their entropies are calculated and their properties are discussed. However, it is shown that entropies higher than these local extrema can be achieved and, indeed, arbitrarily high entropies can be attained by configurations inside of or outside but arbitrarily near their own Schwarzschild radius. However, consideration is limited to configurations which are outside their own Schwarzschild radius by at least one radiation wavelength, then the entropy is bounded and it is found Ssub(max) < is approximately equal to MR, where M is the total mass. This supports the validity for self-gravitating systems of the Bekenstein upper limit on the entropy to energy ratio of material bodies. (author)
Arithmetic of quantum entropy function
International Nuclear Information System (INIS)
Sen, Ashoke
2009-01-01
Quantum entropy function is a proposal for computing the entropy associated with the horizon of a black hole in the extremal limit, and is related via AdS/CFT correspondence to the dimension of the Hilbert space in a dual quantum mechanics. We show that in N = 4 supersymmetric string theories, quantum entropy function formalism naturally explains the origin of the subtle differences between the microscopic degeneracies of quarter BPS dyons carrying different torsion, i.e. different arithmetical properties. These arise from additional saddle points in the path integral - whose existence depends on the arithmetical properties of the black hole charges - constructed as freely acting orbifolds of the original AdS 2 x S 2 near horizon geometry. During this analysis we demonstrate that the quantum entropy function is insensitive to the details of the infrared cutoff used in the computation, and the details of the boundary terms added to the action. We also discuss the role of the asymptotic symmetries of AdS 2 in carrying out the path integral in the definition of quantum entropy function. Finally we show that even though quantum entropy function is expected to compute the absolute degeneracy in a given charge and angular momentum sector, it can also be used to compute the index. This can then be compared with the microscopic computation of the index.
Upper entropy axioms and lower entropy axioms
International Nuclear Information System (INIS)
Guo, Jin-Li; Suo, Qi
2015-01-01
The paper suggests the concepts of an upper entropy and a lower entropy. We propose a new axiomatic definition, namely, upper entropy axioms, inspired by axioms of metric spaces, and also formulate lower entropy axioms. We also develop weak upper entropy axioms and weak lower entropy axioms. Their conditions are weaker than those of Shannon–Khinchin axioms and Tsallis axioms, while these conditions are stronger than those of the axiomatics based on the first three Shannon–Khinchin axioms. The subadditivity and strong subadditivity of entropy are obtained in the new axiomatics. Tsallis statistics is a special case of satisfying our axioms. Moreover, different forms of information measures, such as Shannon entropy, Daroczy entropy, Tsallis entropy and other entropies, can be unified under the same axiomatics
Black hole entropy, curved space and monsters
International Nuclear Information System (INIS)
Hsu, Stephen D.H.; Reeb, David
2008-01-01
We investigate the microscopic origin of black hole entropy, in particular the gap between the maximum entropy of ordinary matter and that of black holes. Using curved space, we construct configurations with entropy greater than the area A of a black hole of equal mass. These configurations have pathological properties and we refer to them as monsters. When monsters are excluded we recover the entropy bound on ordinary matter S 3/4 . This bound implies that essentially all of the microstates of a semiclassical black hole are associated with the growth of a slightly smaller black hole which absorbs some additional energy. Our results suggest that the area entropy of black holes is the logarithm of the number of distinct ways in which one can form the black hole from ordinary matter and smaller black holes, but only after the exclusion of monster states
Entropy Bounds for Constrained Two-Dimensional Fields
DEFF Research Database (Denmark)
Forchhammer, Søren Otto; Justesen, Jørn
1999-01-01
The maximum entropy and thereby the capacity of 2-D fields given by certain constraints on configurations are considered. Upper and lower bounds are derived.......The maximum entropy and thereby the capacity of 2-D fields given by certain constraints on configurations are considered. Upper and lower bounds are derived....
Equipartition of entropy production
International Nuclear Information System (INIS)
Tondeur, D.
1990-01-01
This paper deals with the optimal design or operation of heat and mass transfer processes and develops the following conjecture: for a given duty, the best configuration of the process is that in which the entropy production rate is most uniformly distributed. This principle is first analyzed in detail on the simple example of tubular heat exchangers, and within the framework of linear irreversible thermodynamics. A main result is established, which states that the total entropy production is minimal when the local production is uniformly distributed (equipartition). Corollaries then result, which relate the entropy production and the variance of its distribution to economic factors such as the duty, the exchange area, the fluid flow-rates, and the temperature changes. The equipartition principle is then extended to multiple independent variables (time and space), multicomponent transfer, and non-linear but concave flux vs force relationship. Chemical Engineering examples are discussed, where the equipartition property has been applied implicitly or explicitly: design of distillation plates, cyclic distillation, optimal state of feed, and flow-sheets in chromatographic separations. Finally, a generalization of the equipartition principle is proposed, for systems with a distributed design variable (such as the size of the various elements of a system). The optimal distribution of investment is such that the investment in each element (properly amortized) is equal to the cost of irreversible energy degradation in this element. This is equivalent to saying that the ratio of these two quantities is uniformly distributed over the system, and reduces to equipartition of entropy production when the cost factors are constant over the whole system
Quantum information entropies of ultracold atomic gases in a ...
Indian Academy of Sciences (India)
The position and momentum space information entropies of weakly interacting trapped atomic Bose–Einstein condensates and spin-polarized trapped atomic Fermi gases at absolute zero temperature are evaluated. We ﬁnd that sum of the position and momentum space information entropies of these quantum systems ...
Excess Entropy and Diffusivity
Indian Academy of Sciences (India)
First page Back Continue Last page Graphics. Excess Entropy and Diffusivity. Excess entropy scaling of diffusivity (Rosenfeld,1977). Analogous relationships also exist for viscosity and thermal conductivity.
Low Streamflow Forcasting using Minimum Relative Entropy
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.
Entropy estimates for simple random fields
DEFF Research Database (Denmark)
Forchhammer, Søren; Justesen, Jørn
1995-01-01
We consider the problem of determining the maximum entropy of a discrete random field on a lattice subject to certain local constraints on symbol configurations. The results are expected to be of interest in the analysis of digitized images and two dimensional codes. We shall present some examples...... of binary and ternary fields with simple constraints. Exact results on the entropies are known only in a few cases, but we shall present close bounds and estimates that are computationally efficient...
Carnot to Clausius: Caloric to Entropy
Newburgh, Ronald
2009-01-01
This paper discusses how the Carnot engine led to the formulation of the second law of thermodynamics and entropy. The operation of the engine is analysed both in terms of heat as the caloric fluid and heat as a form of energy. A keystone of Carnot's thinking was the absolute conservation of caloric. Although the Carnot analysis was partly…
Entropy for theories with indefinite causal structure
International Nuclear Information System (INIS)
Markes, Sonia; Hardy, Lucien
2011-01-01
Any theory with definite causal structure has a defined past and future, be it defined by light cones or an absolute time scale. Entropy is a concept that has traditionally been reliant on a definite notion of causality. However, without a definite notion of causality, the concept of entropy is not all lost. Indefinite causal structure results from combining probabilistic predictions and dynamical space-time. The causaloid framework lays the mathematical groundwork to be able to treat indefinite causal structure. In this paper, we build on the causaloid mathematics and define a causally-unbiased entropy for an indefinite causal structure. In defining a causally-unbiased entropy, there comes about an emergent idea of causality in the form of a measure of causal connectedness, termed the Q factor.
SpatEntropy: Spatial Entropy Measures in R
Altieri, Linda; Cocchi, Daniela; Roli, Giulia
2018-01-01
This article illustrates how to measure the heterogeneity of spatial data presenting a finite number of categories via computation of spatial entropy. The R package SpatEntropy contains functions for the computation of entropy and spatial entropy measures. The extension to spatial entropy measures is a unique feature of SpatEntropy. In addition to the traditional version of Shannon's entropy, the package includes Batty's spatial entropy, O'Neill's entropy, Li and Reynolds' contagion index, Ka...
Topological entropy of autonomous flows
Energy Technology Data Exchange (ETDEWEB)
Badii, R. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)
1997-06-01
When studying fluid dynamics, especially in a turbulent regime, it is crucial to estimate the number of active degrees of freedom or of localized structures in the system. The topological entropy quantifies the exponential growth of the number of `distinct` orbits in a dynamical system as a function of their length, in the infinite spatial resolution limit. Here, I illustrate a novel method for its evaluation, which extends beyond maps and is applicable to any system, including autonomous flows: these are characterized by lack of a definite absolute time scale for the orbit lengths. (author) 8 refs.
Entropy-driven metastable defects in silicon
International Nuclear Information System (INIS)
Hamilton, B.; Peaker, A.R.; Pantelides, S.T.
1989-01-01
The known metastable defects are usually describable by a configuration coordinate diagram in which two energy minima are separated by a barrier. This diagram does not change with temperature and each configuration is stable over some temperature range. Here we report the observation of a novel metastability: A configuration change occurs spontaneously and abruptly at a critical temperature, giving rise to a discontinuous DLTS (deep level transient spectroscopy) spectrum. We propose that this phenomenon is a manifestation of entropy variations in the configurational space. (author) 12 refs., 4 figs
Quantum dynamical entropy revisited
International Nuclear Information System (INIS)
Hudetz, T.
1996-10-01
We define a new quantum dynamical entropy, which is a 'hybrid' of the closely related, physically oriented entropy introduced by Alicki and Fannes in 1994, and of the mathematically well-developed, single-argument entropy introduced by Connes, Narnhofer and Thirring in 1987. We show that this new quantum dynamical entropy has many properties similar to the ones of the Alicki-Fannes entropy, and also inherits some additional properties from the CNT entropy. In particular, the 'hybrid' entropy interpolates between the two different ways in which both the AF and the CNT entropy of the shift automorphism on the quantum spin chain agree with the usual quantum entropy density, resulting in even better agreement. Also, the new quantum dynamical entropy generalizes the classical dynamical entropy of Kolmogorov and Sinai in the same way as does the AF entropy. Finally, we estimate the 'hybrid' entropy both for the Powers-Price shift systems and for the noncommutative Arnold map on the irrational rotation C * -algebra, leaving some interesting open problems. (author)
Evanescent magnetic field effects on entropy generation at the onset ...
Indian Academy of Sciences (India)
application of evanescent magnetic field not only suppresses the fluctuation of the ..... the Prigogine's theorem of minimum entropy production is unproven. ... consists in a double spiral configuration and viscous boundary layers in close ...
Manufacturing of High Entropy Alloys
Jablonski, Paul D.; Licavoli, Joseph J.; Gao, Michael C.; Hawk, Jeffrey A.
2015-07-01
High entropy alloys (HEAs) have generated interest in recent years due to their unique positioning within the alloy world. By incorporating a number of elements in high proportion they have high configurational entropy, and thus they hold the promise of interesting and useful properties such as enhanced strength and phase stability. The present study investigates the microstructure of two single-phase face-centered cubic (FCC) HEAs, CoCrFeNi and CoCrFeNiMn, with special attention given to melting, homogenization and thermo-mechanical processing. Large-scale ingots were made by vacuum induction melting to avoid the extrinsic factors inherent in small-scale laboratory button samples. A computationally based homogenization heat treatment was applied to both alloys in order to eliminate segregation due to normal ingot solidification. The alloys fabricated well, with typical thermo-mechanical processing parameters being employed.
Directory of Open Access Journals (Sweden)
Urban Kordes
2005-10-01
Full Text Available The paper tries to tackle the question of connection between entropy and the living. Definitions of life as the phenomenon that defies entropy are overviewed and the conclusion is reached that life is in a way dependant on entropy - it couldn't exist without it. Entropy is a sort of medium, a fertile soil, that gives life possibility to blossom. Paper ends with presenting some consequences for the field of artificial intelligence.
Entropy of Baker's Transformation
Institute of Scientific and Technical Information of China (English)
栾长福
2003-01-01
Four theorems about four different kinds of entropies for Baker's transformation are presented. The Kolmogorov entropy of Baker's transformation is sensitive to the initial flips by the time. The topological entropy of Baker's transformation is found to be log k. The conditions for the state of Baker's transformation to be forbidden are also derived. The relations among the Shanonn, Kolmogorov, topological and Boltzmann entropies are discussed in details.
Physical entropy, information entropy and their evolution equations
Institute of Scientific and Technical Information of China (English)
无
2001-01-01
Inspired by the evolution equation of nonequilibrium statistical physics entropy and the concise statistical formula of the entropy production rate, we develop a theory of the dynamic information entropy and build a nonlinear evolution equation of the information entropy density changing in time and state variable space. Its mathematical form and physical meaning are similar to the evolution equation of the physical entropy: The time rate of change of information entropy density originates together from drift, diffusion and production. The concise statistical formula of information entropy production rate is similar to that of physical entropy also. Furthermore, we study the similarity and difference between physical entropy and information entropy and the possible unification of the two statistical entropies, and discuss the relationship among the principle of entropy increase, the principle of equilibrium maximum entropy and the principle of maximum information entropy as well as the connection between them and the entropy evolution equation.
Absolute nuclear material assay
Prasad, Manoj K [Pleasanton, CA; Snyderman, Neal J [Berkeley, CA; Rowland, Mark S [Alamo, CA
2010-07-13
A method of absolute nuclear material assay of an unknown source comprising counting neutrons from the unknown source and providing an absolute nuclear material assay utilizing a model to optimally compare to the measured count distributions. In one embodiment, the step of providing an absolute nuclear material assay comprises utilizing a random sampling of analytically computed fission chain distributions to generate a continuous time-evolving sequence of event-counts by spreading the fission chain distribution in time.
Ben-Naim, Arieh
2011-01-01
Changes in entropy can "sometimes" be interpreted in terms of changes in disorder. On the other hand, changes in entropy can "always" be interpreted in terms of changes in Shannon's measure of information. Mixing and demixing processes are used to highlight the pitfalls in the association of entropy with disorder. (Contains 3 figures.)
Danish Towns during Absolutism
DEFF Research Database (Denmark)
This anthology, No. 4 in the Danish Urban Studies Series, presents in English recent significant research on Denmark's urban development during the Age of Absolutism, 1660-1848, and features 13 articles written by leading Danish urban historians. The years of Absolutism were marked by a general...
DEFF Research Database (Denmark)
Schechter, J.; Shahid, M. N.
2012-01-01
We discuss the possibility of using experiments timing the propagation of neutrino beams over large distances to help determine the absolute masses of the three neutrinos.......We discuss the possibility of using experiments timing the propagation of neutrino beams over large distances to help determine the absolute masses of the three neutrinos....
Quantum chaos: entropy signatures
International Nuclear Information System (INIS)
Miller, P.A.; Sarkar, S.; Zarum, R.
1998-01-01
A definition of quantum chaos is given in terms of entropy production rates for a quantum system coupled weakly to a reservoir. This allows the treatment of classical and quantum chaos on the same footing. In the quantum theory the entropy considered is the von Neumann entropy and in classical systems it is the Gibbs entropy. The rate of change of the coarse-grained Gibbs entropy of the classical system with time is given by the Kolmogorov-Sinai (KS) entropy. The relation between KS entropy and the rate of change of von Neumann entropy is investigated for the kicked rotator. For a system which is classically chaotic there is a linear relationship between these two entropies. Moreover it is possible to construct contour plots for the local KS entropy and compare it with the corresponding plots for the rate of change of von Neumann entropy. The quantitative and qualitative similarities of these plots are discussed for the standard map (kicked rotor) and the generalised cat maps. (author)
Volkenstein, Mikhail V
2009-01-01
The book "Entropy and Information" deals with the thermodynamical concept of entropy and its relationship to information theory. It is successful in explaining the universality of the term "Entropy" not only as a physical phenomenon, but reveals its existence also in other domains. E.g., Volkenstein discusses the "meaning" of entropy in a biological context and shows how entropy is related to artistic activities. Written by the renowned Russian bio-physicist Mikhail V. Volkenstein, this book on "Entropy and Information" surely serves as a timely introduction to understand entropy from a thermodynamic perspective and is definitely an inspiring and thought-provoking book that should be read by every physicist, information-theorist, biologist, and even artist.
RNA Thermodynamic Structural Entropy.
Garcia-Martin, Juan Antonio; Clote, Peter
2015-01-01
Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe the first two accurate and efficient algorithms to compute the conformational entropy for RNA secondary structures, with respect to the Turner energy model, where free energy parameters are determined from UV absorption experiments. An algorithm to compute the derivational entropy for RNA secondary structures had previously been introduced, using stochastic context free grammars (SCFGs). However, the numerical value of derivational entropy depends heavily on the chosen context free grammar and on the training set used to estimate rule probabilities. Using data from the Rfam database, we determine that both of our thermodynamic methods, which agree in numerical value, are substantially faster than the SCFG method. Thermodynamic structural entropy is much smaller than derivational entropy, and the correlation between length-normalized thermodynamic entropy and derivational entropy is moderately weak to poor. In applications, we plot the structural entropy as a function of temperature for known thermoswitches, such as the repression of heat shock gene expression (ROSE) element, we determine that the correlation between hammerhead ribozyme cleavage activity and total free energy is improved by including an additional free energy term arising from conformational entropy, and we plot the structural entropy of windows of the HIV-1 genome. Our software RNAentropy can compute structural entropy for any user-specified temperature, and supports both the Turner'99 and Turner'04 energy parameters. It follows that RNAentropy is state-of-the-art software to compute RNA secondary structure conformational entropy. Source code is available at https://github.com/clotelab/RNAentropy/; a full web server is available at http
RNA Thermodynamic Structural Entropy.
Directory of Open Access Journals (Sweden)
Juan Antonio Garcia-Martin
Full Text Available Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe the first two accurate and efficient algorithms to compute the conformational entropy for RNA secondary structures, with respect to the Turner energy model, where free energy parameters are determined from UV absorption experiments. An algorithm to compute the derivational entropy for RNA secondary structures had previously been introduced, using stochastic context free grammars (SCFGs. However, the numerical value of derivational entropy depends heavily on the chosen context free grammar and on the training set used to estimate rule probabilities. Using data from the Rfam database, we determine that both of our thermodynamic methods, which agree in numerical value, are substantially faster than the SCFG method. Thermodynamic structural entropy is much smaller than derivational entropy, and the correlation between length-normalized thermodynamic entropy and derivational entropy is moderately weak to poor. In applications, we plot the structural entropy as a function of temperature for known thermoswitches, such as the repression of heat shock gene expression (ROSE element, we determine that the correlation between hammerhead ribozyme cleavage activity and total free energy is improved by including an additional free energy term arising from conformational entropy, and we plot the structural entropy of windows of the HIV-1 genome. Our software RNAentropy can compute structural entropy for any user-specified temperature, and supports both the Turner'99 and Turner'04 energy parameters. It follows that RNAentropy is state-of-the-art software to compute RNA secondary structure conformational entropy. Source code is available at https://github.com/clotelab/RNAentropy/; a full web server is available at http
Entropy in the Tangled Nature Model of evolution
DEFF Research Database (Denmark)
Roach, Ty N.F.; Nulton, James; Sibani, Paolo
2017-01-01
Applications of entropy principles to evolution and ecology are of tantamount importance given the central role spatiotemporal structuring plays in both evolution and ecological succession. We obtain here a qualitative interpretation of the role of entropy in evolving ecological systems. Our...... interpretation is supported by mathematical arguments using simulation data generated by the Tangled Nature Model (TNM), a stochastic model of evolving ecologies. We define two types of configurational entropy and study their empirical time dependence obtained from the data. Both entropy measures increase...... logarithmically with time, while the entropy per individual decreases in time, in parallel with the growth of emergent structures visible from other aspects of the simulation. We discuss the biological relevance of these entropies to describe niche space and functional space of ecosystems, as well as their use...
The Nernst theorem and statistical entropy in a (1+1)-dimensional charged black hole
International Nuclear Information System (INIS)
Ren, Z.; Junfang, Z.; Lichun, Z.
2001-01-01
It was derived that the bosonic and fermionic entropies in (1+1)-dimensional charged black hole directly by using the quantum statistical method. The result is the same as the integral expression obtained by solving the wave equation approximately. Then it is obtained the statistical entropy of the black hole by integration via the improved brick-wall method, membrane model. The derived entropy satisfies the thermodynamic relation. When the radiation temperature of the black hole tends to zero, so does the entropy. It obeys Nernst theorem. So it can be taken as Planck absolute entropy
National Oceanic and Atmospheric Administration, Department of Commerce — The NGS Absolute Gravity data (78 stations) was received in July 1993. Principal gravity parameters include Gravity Value, Uncertainty, and Vertical Gradient. The...
Indian Academy of Sciences (India)
more and more difficult to remove heat as one approaches absolute zero. This is the ... A new and active branch of engineering ... This temperature is called the critical temperature, Te' For sulfur dioxide the critical ..... adsorbent charcoal.
Directory of Open Access Journals (Sweden)
Uroš Martinčič
2014-05-01
Full Text Available The paper explores the issue of structure and case in English absolute constructions, whose subjects are deduced by several descriptive grammars as being in the nominative case due to its supposed neutrality in terms of register. This deduction is countered by systematic accounts presented within the framework of the Minimalist Program which relate the case of absolute constructions to specific grammatical factors. Each proposal is shown as an attempt of analysing absolute constructions as basic predication structures, either full clauses or small clauses. I argue in favour of the small clause approach due to its minimal reliance on transformations and unique stipulations. Furthermore, I propose that small clauses project a singular category, and show that the use of two cases in English absolute constructions can be accounted for if they are analysed as depictive phrases, possibly selected by prepositions. The case of the subject in absolutes is shown to be a result of syntactic and non-syntactic factors. I thus argue in accordance with Minimalist goals that syntactic case does not exist, attributing its role in absolutes to other mechanisms.
Maximum Quantum Entropy Method
Sim, Jae-Hoon; Han, Myung Joon
2018-01-01
Maximum entropy method for analytic continuation is extended by introducing quantum relative entropy. This new method is formulated in terms of matrix-valued functions and therefore invariant under arbitrary unitary transformation of input matrix. As a result, the continuation of off-diagonal elements becomes straightforward. Without introducing any further ambiguity, the Bayesian probabilistic interpretation is maintained just as in the conventional maximum entropy method. The applications o...
Transplanckian entanglement entropy
International Nuclear Information System (INIS)
Chang, Darwin; Chu, C.-S.; Lin Fengli
2004-01-01
The entanglement entropy of the event horizon is known to be plagued by the UV divergence due to the infinitely blue-shifted near horizon modes. In this Letter we calculate the entanglement entropy using the transplanckian dispersion relation, which has been proposed to model the quantum gravity effects. We show that, very generally, the entropy is rendered UV finite due to the suppression of high energy modes effected by the transplanckian dispersion relation
2015-09-29
antiferroelectrics. Phys. Rev. Lett. 110, 017603 (2013). 22. Cantor , B., Chang, I., Knight, P. & Vincent, A. Microstructural development in equiatomic...Science 345, 1153–1158 (2014). 24. Gali, A. & George , E. Tensile properties of high- and medium-entropy alloys. Intermetallics 39, 74–78 (2013). 25...148–153 (2014). 26. Otto, F., Yang, Y., Bei, H. & George , E. Relative effects of enthalpy and entropy on the phase stability of equiatomic high-entropy
International Nuclear Information System (INIS)
Kolb, E.W.; Lindley, D.; Seckel, D.
1984-01-01
For a cosmological model with d noncompact and D compact spatial dimensions and symmetry R 1 x S/sup d/ x S/sup D/, we calculate the entropy produced in d dimensions due to the compactification of D dimensions and show it too small to be of cosmological interest. Although insufficient entropy is produced in the model we study, the contraction of extra dimensions does lead to entropy production. We discuss modifications of our assumptions, including changing our condition for decoupling of the extra dimensions, which may lead to a large entropy production and change our conclusions
ENTROPY FUNCTIONAL FOR CONTINUOUS SYSTEMS OF FINITE ENTROPY
Institute of Scientific and Technical Information of China (English)
M. Rahimi A. Riazi
2012-01-01
In this article,we introduce the concept of entropy functional for continuous systems on compact metric spaces,and prove some of its properties.We also extract the Kolmogorov entropy from the entropy functional.
Entropy in the Tangled Nature Model of Evolution
Directory of Open Access Journals (Sweden)
Ty N. F. Roach
2017-04-01
Full Text Available Applications of entropy principles to evolution and ecology are of tantamount importance given the central role spatiotemporal structuring plays in both evolution and ecological succession. We obtain here a qualitative interpretation of the role of entropy in evolving ecological systems. Our interpretation is supported by mathematical arguments using simulation data generated by the Tangled Nature Model (TNM, a stochastic model of evolving ecologies. We define two types of configurational entropy and study their empirical time dependence obtained from the data. Both entropy measures increase logarithmically with time, while the entropy per individual decreases in time, in parallel with the growth of emergent structures visible from other aspects of the simulation. We discuss the biological relevance of these entropies to describe niche space and functional space of ecosystems, as well as their use in characterizing the number of taxonomic configurations compatible with different niche partitioning and functionality. The TNM serves as an illustrative example of how to calculate and interpret these entropies, which are, however, also relevant to real ecosystems, where they can be used to calculate the number of functional and taxonomic configurations that an ecosystem can realize.
Giant onsite electronic entropy enhances the performance of ceria for water splitting.
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.
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.
Indian Academy of Sciences (India)
Enthalpy–entropy compensation is the name given to the correlation sometimes observed between the estimates of the enthalpy and entropy of a reaction obtained from temperature-dependence data. Although the mainly artefactual nature of this correlation has been known for many years, the subject enjoys periodical ...
Indian Academy of Sciences (India)
During the process of ageing, the balance shifts in the direction of anarchy. Death is ... tion of life and the laws of statistieal physics and entropy, both of which ... capable of doing work. ... defined by Ludwig Boltzmann in 1877, the entropy of the.
Energy Technology Data Exchange (ETDEWEB)
Bao, Ning [Institute for Quantum Information and Matter, California Institute of Technology,Pasadena, CA 91125 (United States); Walter Burke Institute for Theoretical Physics, California Institute of Technology,452-48, Pasadena, CA 91125 (United States); Nezami, Sepehr [Stanford Institute for Theoretical Physics, Stanford University,Stanford, CA 94305 (United States); Ooguri, Hirosi [Walter Burke Institute for Theoretical Physics, California Institute of Technology,452-48, Pasadena, CA 91125 (United States); Kavli Institute for the Physics and Mathematics of the Universe, University of Tokyo,Kashiwa 277-8583 (Japan); Stoica, Bogdan [Walter Burke Institute for Theoretical Physics, California Institute of Technology,452-48, Pasadena, CA 91125 (United States); Sully, James [Theory Group, SLAC National Accelerator Laboratory, Stanford University,Menlo Park, CA 94025 (United States); Walter, Michael [Stanford Institute for Theoretical Physics, Stanford University,Stanford, CA 94305 (United States)
2015-09-21
We initiate a systematic enumeration and classification of entropy inequalities satisfied by the Ryu-Takayanagi formula for conformal field theory states with smooth holographic dual geometries. For 2, 3, and 4 regions, we prove that the strong subadditivity and the monogamy of mutual information give the complete set of inequalities. This is in contrast to the situation for generic quantum systems, where a complete set of entropy inequalities is not known for 4 or more regions. We also find an infinite new family of inequalities applicable to 5 or more regions. The set of all holographic entropy inequalities bounds the phase space of Ryu-Takayanagi entropies, defining the holographic entropy cone. We characterize this entropy cone by reducing geometries to minimal graph models that encode the possible cutting and gluing relations of minimal surfaces. We find that, for a fixed number of regions, there are only finitely many independent entropy inequalities. To establish new holographic entropy inequalities, we introduce a combinatorial proof technique that may also be of independent interest in Riemannian geometry and graph theory.
International Nuclear Information System (INIS)
Bao, Ning; Nezami, Sepehr; Ooguri, Hirosi; Stoica, Bogdan; Sully, James; Walter, Michael
2015-01-01
We initiate a systematic enumeration and classification of entropy inequalities satisfied by the Ryu-Takayanagi formula for conformal field theory states with smooth holographic dual geometries. For 2, 3, and 4 regions, we prove that the strong subadditivity and the monogamy of mutual information give the complete set of inequalities. This is in contrast to the situation for generic quantum systems, where a complete set of entropy inequalities is not known for 4 or more regions. We also find an infinite new family of inequalities applicable to 5 or more regions. The set of all holographic entropy inequalities bounds the phase space of Ryu-Takayanagi entropies, defining the holographic entropy cone. We characterize this entropy cone by reducing geometries to minimal graph models that encode the possible cutting and gluing relations of minimal surfaces. We find that, for a fixed number of regions, there are only finitely many independent entropy inequalities. To establish new holographic entropy inequalities, we introduce a combinatorial proof technique that may also be of independent interest in Riemannian geometry and graph theory.
International Nuclear Information System (INIS)
Morcos, A.; Taylor, H. S.
1989-01-01
This paper will briefly discuss the reason for and content of configuration management both for new plants and, when adapted, for older plants. It will then address three types of activities a utility may undertake as part of a nuclear CAM program and with which Sargent and Leyden has been actively involved. The first activity is a methodology for preparing design-basis documentation. The second is the identification of essential data required to be kept by the utility in support of the operation of a nuclear plant. The third activity is a computerized classification system of plant components, allowing ready identification of plant functional and physical characteristics. Plant configuration documentation describes plant components, the ways they arranged to interact, and the ways they are enabled to interact. Configuration management, on the other hand, is more than the control of such documentation. It is a dynamic process for ensuring that a plant configuration meets all relevant requirements for safety and economy, even while the configuration changes and even while the requirements change. Configuration management for a nuclear plant is so complex that it must be implemented in phases and modules. It takes advantage of and integrates existing programs. Managing complexity and streamlining the change process become important additional objectives of configuration management. The example activities fulfill essential goals of an overall CAM program: definition of design baseline, definition of essential plant data, and classification of plant components
Nonadditive entropy: The concept and its use
Energy Technology Data Exchange (ETDEWEB)
Tsallis, C. [Centro Brasileiro de Pesquisas Fisicas and National Institute of Science and Technology for Complex Systems, Rio de Janeiro-RJ (Brazil); Santa Fe Institute, Santa Fe (United States)
2009-06-15
The thermodynamical concept of entropy was introduced by Clausius in 1865 in order to construct the exact differential dS={delta}Q/T, where {delta}Q is the heat transfer and the absolute temperature T its integrating factor. A few years later, in the period 1872-1877, it was shown by Boltzmann that this quantity can be expressed in terms of the probabilities associated with the microscopic configurations of the system. We refer to this fundamental connection as the Boltzmann-Gibbs (BG) entropy, namely (in its discrete form) S{sub BG}=-k sum {sub i=1}{sup W}p{sub i}lnp{sub i}, where k is the Boltzmann constant, and {l_brace}p{sub i}{r_brace} the probabilities corresponding to the W microscopic configurations hence sum {sup W}{sub i=1}p{sub i}=1. This entropic form, further discussed by Gibbs, von Neumann and Shannon, and constituting the basis of the celebrated BG statistical mechanics, is additive. Indeed, if we consider a system composed by any two probabilistically independent subsystems A and B (i.e., p{sub ij}{sup A+B}=p{sub i}{sup A}p{sub j}{sup B}, for each (i,j)), we verify that S{sub BG}(A+B)=S{sub BG}(A)+S{sub BG}(B). If a system is constituted by N equal elements which are either independent or quasi-independent (i.e., not too strongly correlated, in some specific nonlocal sense), this additivity guarantees S{sub BG} to be extensive in the thermodynamical sense, i.e., that S{sub BG}(N){proportional_to}N in the N>>1 limit. If, on the contrary, the correlations between the N elements are strong enough, then the extensivity of S{sub BG} is lost, being therefore incompatible with classical thermodynamics. In such a case, the many and precious relations described in textbooks of thermodynamics become invalid. Along a line which will be shown to overcome this difficulty, and which consistently enables the generalization of BG statistical mechanics, it was proposed in 1988 the entropy S{sub q}=k[- sum {sub i=1}{sup W}p{sub i}{sup q}]/(q-1) (q element of R; S
Nonadditive entropy: The concept and its use
International Nuclear Information System (INIS)
Tsallis, C.
2009-01-01
The thermodynamical concept of entropy was introduced by Clausius in 1865 in order to construct the exact differential dS=δQ/T, where δQ is the heat transfer and the absolute temperature T its integrating factor. A few years later, in the period 1872-1877, it was shown by Boltzmann that this quantity can be expressed in terms of the probabilities associated with the microscopic configurations of the system. We refer to this fundamental connection as the Boltzmann-Gibbs (BG) entropy, namely (in its discrete form) S BG =-k sum i=1 W p i lnp i , where k is the Boltzmann constant, and {p i } the probabilities corresponding to the W microscopic configurations hence sum W i=1 p i =1. This entropic form, further discussed by Gibbs, von Neumann and Shannon, and constituting the basis of the celebrated BG statistical mechanics, is additive. Indeed, if we consider a system composed by any two probabilistically independent subsystems A and B (i.e., p ij A+B =p i A p j B , for each (i,j)), we verify that S BG (A+B)=S BG (A)+S BG (B). If a system is constituted by N equal elements which are either independent or quasi-independent (i.e., not too strongly correlated, in some specific nonlocal sense), this additivity guarantees S BG to be extensive in the thermodynamical sense, i.e., that S BG (N)∝N in the N>>1 limit. If, on the contrary, the correlations between the N elements are strong enough, then the extensivity of S BG is lost, being therefore incompatible with classical thermodynamics. In such a case, the many and precious relations described in textbooks of thermodynamics become invalid. Along a line which will be shown to overcome this difficulty, and which consistently enables the generalization of BG statistical mechanics, it was proposed in 1988 the entropy S q =k[- sum i=1 W p i q ]/(q-1) (q element of R; S 1 =S BG ). In the context of cybernetics and information theory, this and similar forms have in fact been repeatedly introduced before 1988. The entropic form
Nonadditive entropy: The concept and its use
Tsallis, C.
2009-06-01
The thermodynamical concept of entropy was introduced by Clausius in 1865 in order to construct the exact differential dS = δ Q/ T , where δ Q is the heat transfer and the absolute temperature T its integrating factor. A few years later, in the period 1872-1877, it was shown by Boltzmann that this quantity can be expressed in terms of the probabilities associated with the microscopic configurations of the system. We refer to this fundamental connection as the Boltzmann-Gibbs (BG) entropy, namely (in its discrete form) ensuremath S_{BG}=-ksum_{i=1}^W p_i ln p_i , where k is the Boltzmann constant, and { p i} the probabilities corresponding to the W microscopic configurations (hence ∑W i=1 p i = 1 . This entropic form, further discussed by Gibbs, von Neumann and Shannon, and constituting the basis of the celebrated BG statistical mechanics, is additive. Indeed, if we consider a system composed by any two probabilistically independent subsystems A and B ( i.e., ensuremath p_{ij}^{A+B}=p_i^A p_j^B, forall(i,j) , we verify that ensuremath S_{BG}(A+B)=S_{BG}(A)+S_{BG}(B) . If a system is constituted by N equal elements which are either independent or quasi-independent ( i.e., not too strongly correlated, in some specific nonlocal sense), this additivity guarantees SBG to be extensive in the thermodynamical sense, i.e., that ensuremath S_{BG}(N) ∝ N in the N ≫ 1 limit. If, on the contrary, the correlations between the N elements are strong enough, then the extensivity of SBG is lost, being therefore incompatible with classical thermodynamics. In such a case, the many and precious relations described in textbooks of thermodynamics become invalid. Along a line which will be shown to overcome this difficulty, and which consistently enables the generalization of BG statistical mechanics, it was proposed in 1988 the entropy ensuremath S_q=k [1-sum_{i=1}^W p_i^q]/(q-1) (qin{R}; S_1=S_{BG}) . In the context of cybernetics and information theory, this and similar forms
Entropy and Digital Installation
Directory of Open Access Journals (Sweden)
Susan Ballard
2005-01-01
Full Text Available This paper examines entropy as a process which introduces ideas of distributed materiality to digital installation. Beginning from an analysis of entropy as both force and probability measure within information theory and it’s extension in Ruldof Arnheim’s text ‘Entropy and Art” it develops an argument for the positive rather thannegative forces of entropy. The paper centres on a discussion of two recent works by New Zealand artists Ronnie van Hout (“On the Run”, Wellington City Gallery, NZ, 2004 and Alex Monteith (“Invisible Cities”, Physics Room Contemporary Art Space, Christchurch, NZ, 2004. Ballard suggests that entropy, rather than being a hindrance to understanding or a random chaotic force, discloses a necessary and material politics of noise present in digital installation.
Phonon broadening in high entropy alloys
Körmann, Fritz; Ikeda, Yuji; Grabowski, Blazej; Sluiter, Marcel H. F.
2017-09-01
Refractory high entropy alloys feature outstanding properties making them a promising materials class for next-generation high-temperature applications. At high temperatures, materials properties are strongly affected by lattice vibrations (phonons). Phonons critically influence thermal stability, thermodynamic and elastic properties, as well as thermal conductivity. In contrast to perfect crystals and ordered alloys, the inherently present mass and force constant fluctuations in multi-component random alloys (high entropy alloys) can induce significant phonon scattering and broadening. Despite their importance, phonon scattering and broadening have so far only scarcely been investigated for high entropy alloys. We tackle this challenge from a theoretical perspective and employ ab initio calculations to systematically study the impact of force constant and mass fluctuations on the phonon spectral functions of 12 body-centered cubic random alloys, from binaries up to 5-component high entropy alloys, addressing the key question of how chemical complexity impacts phonons. We find that it is crucial to include both mass and force constant fluctuations. If one or the other is neglected, qualitatively wrong results can be obtained such as artificial phonon band gaps. We analyze how the results obtained for the phonons translate into thermodynamically integrated quantities, specifically the vibrational entropy. Changes in the vibrational entropy with increasing the number of elements can be as large as changes in the configurational entropy and are thus important for phase stability considerations. The set of studied alloys includes MoTa, MoTaNb, MoTaNbW, MoTaNbWV, VW, VWNb, VWTa, VWNbTa, VTaNbTi, VWNbTaTi, HfZrNb, HfMoTaTiZr.
Remarks on entanglement entropy in string theory
Balasubramanian, Vijay; Parrikar, Onkar
2018-03-01
Entanglement entropy for spatial subregions is difficult to define in string theory because of the extended nature of strings. Here we propose a definition for bosonic open strings using the framework of string field theory. The key difference (compared to ordinary quantum field theory) is that the subregion is chosen inside a Cauchy surface in the "space of open string configurations." We first present a simple calculation of this entanglement entropy in free light-cone string field theory, ignoring subtleties related to the factorization of the Hilbert space. We reproduce the answer expected from an effective field theory point of view, namely a sum over the one-loop entanglement entropies corresponding to all the particle-excitations of the string, and further show that the full string theory regulates ultraviolet divergences in the entanglement entropy. We then revisit the question of factorization of the Hilbert space by analyzing the covariant phase-space associated with a subregion in Witten's covariant string field theory. We show that the pure gauge (i.e., BRST exact) modes in the string field become dynamical at the entanglement cut. Thus, a proper definition of the entropy must involve an extended Hilbert space, with new stringy edge modes localized at the entanglement cut.
Entanglement Entropy of AdS Black Holes
Directory of Open Access Journals (Sweden)
Maurizio Melis
2010-11-01
Full Text Available We review recent progress in understanding the entanglement entropy of gravitational configurations for anti-de Sitter gravity in two and three spacetime dimensions using the AdS/CFT correspondence. We derive simple expressions for the entanglement entropy of two- and three-dimensional black holes. In both cases, the leading term of the entanglement entropy in the large black hole mass expansion reproduces exactly the Bekenstein-Hawking entropy, whereas the subleading term behaves logarithmically. In particular, for the BTZ black hole the leading term of the entanglement entropy can be obtained from the large temperature expansion of the partition function of a broad class of 2D CFTs on the torus.
Calibration with Absolute Shrinkage
DEFF Research Database (Denmark)
Øjelund, Henrik; Madsen, Henrik; Thyregod, Poul
2001-01-01
In this paper, penalized regression using the L-1 norm on the estimated parameters is proposed for chemometric je calibration. The algorithm is of the lasso type, introduced by Tibshirani in 1996 as a linear regression method with bound on the absolute length of the parameters, but a modification...
Indian Academy of Sciences (India)
Home; Journals; Resonance – Journal of Science Education; Volume 2; Issue 10. Approach to Absolute Zero Below 10 milli-Kelvin. R Srinivasan. Series Article Volume 2 Issue 10 October 1997 pp 8-16. Fulltext. Click here to view fulltext PDF. Permanent link: https://www.ias.ac.in/article/fulltext/reso/002/10/0008-0016 ...
Nonsymmetric entropy I: basic concepts and results
Liu, Chengshi
2006-01-01
A new concept named nonsymmetric entropy which generalizes the concepts of Boltzman's entropy and shannon's entropy, was introduced. Maximal nonsymmetric entropy principle was proven. Some important distribution laws were derived naturally from maximal nonsymmetric entropy principle.
Numerical viscosity of entropy stable schemes for systems of conservation laws. Final Report
International Nuclear Information System (INIS)
Tadmor, E.
1985-11-01
Discrete approximations to hyperbolic systems of conservation laws are studied. The amount of numerical viscosity present in such schemes is quantified and related to their entropy stability by means of comparison. To this end conservative schemes which are also entropy conservative are constructed. These entropy conservative schemes enjoy second-order accuracy; moreover, they admit a particular interpretation within the finite-element frameworks, and hence can be formulated on various mesh configurations. It is then shown that conservative schemes are entropy stable if and only if they contain more viscosity than the mentioned above entropy conservative ones
Entropy of the Mixture of Sources and Entropy Dimension
Smieja, Marek; Tabor, Jacek
2011-01-01
We investigate the problem of the entropy of the mixture of sources. There is given an estimation of the entropy and entropy dimension of convex combination of measures. The proof is based on our alternative definition of the entropy based on measures instead of partitions.
Entropy coherent and entropy convex measures of risk
Laeven, Roger; Stadje, M.A.
2010-01-01
We introduce entropy coherent and entropy convex measures of risk and prove a collection of axiomatic characterization and duality results. We show in particular that entropy coherent and entropy convex measures of risk emerge as negative certainty equivalents in (the regular and a generalized
Entropy coherent and entropy convex measures of risk
Laeven, R.J.A.; Stadje, M.
2013-01-01
We introduce two subclasses of convex measures of risk, referred to as entropy coherent and entropy convex measures of risk. Entropy coherent and entropy convex measures of risk are special cases of φ-coherent and φ-convex measures of risk. Contrary to the classical use of coherent and convex
Entropy Coherent and Entropy Convex Measures of Risk
Laeven, R.J.A.; Stadje, M.A.
2011-01-01
We introduce two subclasses of convex measures of risk, referred to as entropy coherent and entropy convex measures of risk. We prove that convex, entropy convex and entropy coherent measures of risk emerge as certainty equivalents under variational, homothetic and multiple priors preferences,
Black hole thermodynamical entropy
International Nuclear Information System (INIS)
Tsallis, Constantino; Cirto, Leonardo J.L.
2013-01-01
As early as 1902, Gibbs pointed out that systems whose partition function diverges, e.g. gravitation, lie outside the validity of the Boltzmann-Gibbs (BG) theory. Consistently, since the pioneering Bekenstein-Hawking results, physically meaningful evidence (e.g., the holographic principle) has accumulated that the BG entropy S BG of a (3+1) black hole is proportional to its area L 2 (L being a characteristic linear length), and not to its volume L 3 . Similarly it exists the area law, so named because, for a wide class of strongly quantum-entangled d-dimensional systems, S BG is proportional to lnL if d=1, and to L d-1 if d>1, instead of being proportional to L d (d ≥ 1). These results violate the extensivity of the thermodynamical entropy of a d-dimensional system. This thermodynamical inconsistency disappears if we realize that the thermodynamical entropy of such nonstandard systems is not to be identified with the BG additive entropy but with appropriately generalized nonadditive entropies. Indeed, the celebrated usefulness of the BG entropy is founded on hypothesis such as relatively weak probabilistic correlations (and their connections to ergodicity, which by no means can be assumed as a general rule of nature). Here we introduce a generalized entropy which, for the Schwarzschild black hole and the area law, can solve the thermodynamic puzzle. (orig.)
Directory of Open Access Journals (Sweden)
Leonid M. Martyushev
2015-06-01
Full Text Available The entropy production (inside the volume bounded by a photosphere of main-sequence stars, subgiants, giants, and supergiants is calculated based on B–V photometry data. A non-linear inverse relationship of thermodynamic fluxes and forces as well as an almost constant specific (per volume entropy production of main-sequence stars (for 95% of stars, this quantity lies within 0.5 to 2.2 of the corresponding solar magnitude is found. The obtained results are discussed from the perspective of known extreme principles related to entropy production.
Some remarks on conditional entropy
Nijst, A.G.P.M.
1969-01-01
Using a definition of conditional entropy given by Hanen and Neveu [5, 10, 11] we discuss in this paper some properties of conditional entropy and mean entropy, in particular an integral representation of conditional entropy (§ 2), and the decomposition theorem of the KolmogorovSina¯i invariant (§
Effekten af absolut kumulation
DEFF Research Database (Denmark)
Kyvsgaard, Britta; Klement, Christian
2012-01-01
Som led i finansloven for 2011 blev regeringen og forligspartierne enige om at undersøge reglerne om strafudmåling ved samtidig pådømmelse af flere kriminelle forhold og i forbindelse hermed vurdere konsekvenserne af at ændre de gældende regler i forhold til kapacitetsbehovet i Kriminalforsorgens...... samlet bødesum ved en absolut kumulation i forhold til en modereret kumulation, som nu er gældende....
Entropy of international trades
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.
International Nuclear Information System (INIS)
Estes, John; Jensen, Kristan; O’Bannon, Andy; Tsatis, Efstratios; Wrase, Timm
2014-01-01
We study a number of (3+1)- and (2+1)-dimensional defect and boundary conformal field theories holographically dual to supergravity theories. In all cases the defects or boundaries are planar, and the defects are codimension-one. Using holography, we compute the entanglement entropy of a (hemi-)spherical region centered on the defect (boundary). We define defect and boundary entropies from the entanglement entropy by an appropriate background subtraction. For some (3+1)-dimensional theories we find evidence that the defect/boundary entropy changes monotonically under certain renormalization group flows triggered by operators localized at the defect or boundary. This provides evidence that the g-theorem of (1+1)-dimensional field theories generalizes to higher dimensions
Minimum entropy production principle
Czech Academy of Sciences Publication Activity Database
Maes, C.; Netočný, Karel
2013-01-01
Roč. 8, č. 7 (2013), s. 9664-9677 ISSN 1941-6016 Institutional support: RVO:68378271 Keywords : MINEP Subject RIV: BE - Theoretical Physics http://www.scholarpedia.org/article/Minimum_entropy_production_principle
Katan, Claudine; Mohite, Aditya D.; Even, Jacky
2018-05-01
Claudine Katan, Aditya D. Mohite and Jacky Even discuss the possible impact of various entropy contributions (stochastic structural fluctuations, anharmonicity and lattice softness) on the optoelectronic properties of halide perovskite materials and devices.
Sze, Vivienne; Marpe, Detlev
2014-01-01
Context-Based Adaptive Binary Arithmetic Coding (CABAC) is a method of entropy coding first introduced in H.264/AVC and now used in the latest High Efficiency Video Coding (HEVC) standard. While it provides high coding efficiency, the data dependencies in H.264/AVC CABAC make it challenging to parallelize and thus limit its throughput. Accordingly, during the standardization of entropy coding for HEVC, both aspects of coding efficiency and throughput were considered. This chapter describes th...
Manfredi; Feix
2000-10-01
The properties of an alternative definition of quantum entropy, based on Wigner functions, are discussed. Such a definition emerges naturally from the Wigner representation of quantum mechanics, and can easily quantify the amount of entanglement of a quantum state. It is shown that smoothing of the Wigner function induces an increase in entropy. This fact is used to derive some simple rules to construct positive-definite probability distributions which are also admissible Wigner functions.
Manfredi, G.; Feix, M. R.
2002-01-01
The properties of an alternative definition of quantum entropy, based on Wigner functions, are discussed. Such definition emerges naturally from the Wigner representation of quantum mechanics, and can easily quantify the amount of entanglement of a quantum state. It is shown that smoothing of the Wigner function induces an increase in entropy. This fact is used to derive some simple rules to construct positive definite probability distributions which are also admissible Wigner functions
Feasible Histories, Maximum Entropy
International Nuclear Information System (INIS)
Pitowsky, I.
1999-01-01
We consider the broadest possible consistency condition for a family of histories, which extends all previous proposals. A family that satisfies this condition is called feasible. On each feasible family of histories we choose a probability measure by maximizing entropy, while keeping the probabilities of commuting histories to their quantum mechanical values. This procedure is justified by the assumption that decoherence increases entropy. Finally, a criterion for identifying the nearly classical families is proposed
Gulamsarwar, Syazwani; Salleh, Zabidin
2017-08-01
The purpose of this paper is to generalize the notions of Adler's topological entropy along with their several fundamental properties. A function f : X → Y is said to be R-map if f-1 (V) is regular open in X for every regular open set V in Y. Thus, we initiated a notion of topological nearly entropy for topological R-dynamical systems which is based on nearly compact relative to the space by using R-map.
International Nuclear Information System (INIS)
Lemos, Jose P. S.; Zaslavskii, Oleg B.
2010-01-01
We trace the origin of the black hole entropy S, replacing a black hole by a quasiblack hole. Let the boundary of a static body approach its own gravitational radius, in such a way that a quasihorizon forms. We show that if the body is thermal with the temperature taking the Hawking value at the quasihorizon limit, it follows, in the nonextremal case, from the first law of thermodynamics that the entropy approaches the Bekenstein-Hawking value S=A/4. In this setup, the key role is played by the surface stresses on the quasihorizon and one finds that the entropy comes from the quasihorizon surface. Any distribution of matter inside the surface leads to the same universal value for the entropy in the quasihorizon limit. This can be of some help in the understanding of black hole entropy. Other similarities between black holes and quasiblack holes such as the mass formulas for both objects had been found previously. We also discuss the entropy for extremal quasiblack holes, a more subtle issue.
Entropy, matter, and cosmology.
Prigogine, I; Géhéniau, J
1986-09-01
The role of irreversible processes corresponding to creation of matter in general relativity is investigated. The use of Landau-Lifshitz pseudotensors together with conformal (Minkowski) coordinates suggests that this creation took place in the early universe at the stage of the variation of the conformal factor. The entropy production in this creation process is calculated. It is shown that these dissipative processes lead to the possibility of cosmological models that start from empty conditions and gradually build up matter and entropy. Gravitational entropy takes a simple meaning as associated to the entropy that is necessary to produce matter. This leads to an extension of the third law of thermodynamics, as now the zero point of entropy becomes the space-time structure out of which matter is generated. The theory can be put into a convenient form using a supplementary "C" field in Einstein's field equations. The role of the C field is to express the coupling between gravitation and matter leading to irreversible entropy production.
On the Conditional Rényi Entropy
S. Fehr (Serge); S. Berens (Stefan)
2014-01-01
htmlabstractThe Rényi entropy of general order unifies the well-known Shannon entropy with several other entropy notions, like the min-entropy or the collision entropy. In contrast to the Shannon entropy, there seems to be no commonly accepted definition for the conditional Rényi entropy: several
EEG entropy measures in anesthesia
Directory of Open Access Journals (Sweden)
Zhenhu eLiang
2015-02-01
Full Text Available Objective: Entropy algorithms have been widely used in analyzing EEG signals during anesthesia. However, a systematic comparison of these entropy algorithms in assessing anesthesia drugs’ effect is lacking. In this study, we compare the capability of twelve entropy indices for monitoring depth of anesthesia (DoA and detecting the burst suppression pattern (BSP, in anesthesia induced by GA-BAergic agents.Methods: Twelve indices were investigated, namely Response Entropy (RE and State entropy (SE, three wavelet entropy (WE measures (Shannon WE (SWE, Tsallis WE (TWE and Renyi WE (RWE, Hilbert-Huang spectral entropy (HHSE, approximate entropy (ApEn, sample entropy (SampEn, Fuzzy entropy, and three permutation entropy (PE measures (Shannon PE (SPE, Tsallis PE (TPE and Renyi PE (RPE. Two EEG data sets from sevoflurane-induced and isoflu-rane-induced anesthesia respectively were selected to assess the capability of each entropy index in DoA monitoring and BSP detection. To validate the effectiveness of these entropy algorithms, phar-macokinetic / pharmacodynamic (PK/PD modeling and prediction probability analysis were applied. The multifractal detrended fluctuation analysis (MDFA as a non-entropy measure was compared.Results: All the entropy and MDFA indices could track the changes in EEG pattern during different anesthesia states. Three PE measures outperformed the other entropy indices, with less baseline vari-ability, higher coefficient of determination and prediction probability, and RPE performed best; ApEn and SampEn discriminated BSP best. Additionally, these entropy measures showed an ad-vantage in computation efficiency compared with MDFA.Conclusion: Each entropy index has its advantages and disadvantages in estimating DoA. Overall, it is suggested that the RPE index was a superior measure.Significance: Investigating the advantages and disadvantages of these entropy indices could help improve current clinical indices for monitoring DoA.
Towards absolute neutrino masses
Energy Technology Data Exchange (ETDEWEB)
Vogel, Petr [Kellogg Radiation Laboratory 106-38, Caltech, Pasadena, CA 91125 (United States)
2007-06-15
Various ways of determining the absolute neutrino masses are briefly reviewed and their sensitivities compared. The apparent tension between the announced but unconfirmed observation of the 0{nu}{beta}{beta} decay and the neutrino mass upper limit based on observational cosmology is used as an example of what could happen eventually. The possibility of a 'nonstandard' mechanism of the 0{nu}{beta}{beta} decay is stressed and the ways of deciding which of the possible mechanisms is actually operational are described. The importance of the 0{nu}{beta}{beta} nuclear matrix elements is discussed and their uncertainty estimated.
International Nuclear Information System (INIS)
Beavers, R.R.; Sumiec, K.F.
1989-01-01
Increasing regulatory and industry attention has been focused on properly controlling electrical design changes. These changes can be controlled by using configuration management techniques. Typically, there are ongoing modifications to various process systems or additions due to new requirements at every power plant. Proper control of these changes requires that an organized method be used to ensure that all important parameters of the electrical auxiliary systems are analyzed and that these parameters are evaluated accurately. This process, commonly referred to as configuration management, is becoming more important on both fossil and nuclear plants. Recent NRC- and utility-initiated inspections have identified problems due to incomplete analysis of changes to electrical auxiliary systems at nuclear stations
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.
Entropy Production in Stochastics
Directory of Open Access Journals (Sweden)
Demetris Koutsoyiannis
2017-10-01
Full Text Available While the modern definition of entropy is genuinely probabilistic, in entropy production the classical thermodynamic definition, as in heat transfer, is typically used. Here we explore the concept of entropy production within stochastics and, particularly, two forms of entropy production in logarithmic time, unconditionally (EPLT or conditionally on the past and present having been observed (CEPLT. We study the theoretical properties of both forms, in general and in application to a broad set of stochastic processes. A main question investigated, related to model identification and fitting from data, is how to estimate the entropy production from a time series. It turns out that there is a link of the EPLT with the climacogram, and of the CEPLT with two additional tools introduced here, namely the differenced climacogram and the climacospectrum. In particular, EPLT and CEPLT are related to slopes of log-log plots of these tools, with the asymptotic slopes at the tails being most important as they justify the emergence of scaling laws of second-order characteristics of stochastic processes. As a real-world application, we use an extraordinary long time series of turbulent velocity and show how a parsimonious stochastic model can be identified and fitted using the tools developed.
Connecting diffusion and entropy of bulk water at the single particle ...
Indian Academy of Sciences (India)
The relation between the dynamic (e.g., diffusion) and thermodynamic (e.g., entropy) properties of water and water-like liquids has been an active area of research for a long time. Although several studies have investigated the diffusivity and entropy for different systems, these studies have probed either the configurational ...
Thermodynamics of negative absolute pressures
International Nuclear Information System (INIS)
Lukacs, B.; Martinas, K.
1984-03-01
The authors show that the possibility of negative absolute pressure can be incorporated into the axiomatic thermodynamics, analogously to the negative absolute temperature. There are examples for such systems (GUT, QCD) processing negative absolute pressure in such domains where it can be expected from thermodynamical considerations. (author)
A gravitational entropy proposal
International Nuclear Information System (INIS)
Clifton, Timothy; Tavakol, Reza; Ellis, George F R
2013-01-01
We propose a thermodynamically motivated measure of gravitational entropy based on the Bel–Robinson tensor, which has a natural interpretation as the effective super-energy–momentum tensor of free gravitational fields. The specific form of this measure differs depending on whether the gravitational field is Coulomb-like or wave-like, and reduces to the Bekenstein–Hawking value when integrated over the interior of a Schwarzschild black hole. For scalar perturbations of a Robertson–Walker geometry we find that the entropy goes like the Hubble weighted anisotropy of the gravitational field, and therefore increases as structure formation occurs. This is in keeping with our expectations for the behaviour of gravitational entropy in cosmology, and provides a thermodynamically motivated arrow of time for cosmological solutions of Einstein’s field equations. It is also in keeping with Penrose’s Weyl curvature hypothesis. (paper)
Microscopic entropy and nonlocality
International Nuclear Information System (INIS)
Karpov, E.; Ordonets, G.; Petroskij, T.; Prigozhin, I.
2003-01-01
We have obtained a microscopic expression for entropy in terms of H function based on nonunitary Λ transformation which leads from the time evolution as a unitary group to a Markovian dynamics and unifies the reversible and irreversible aspects of quantum mechanics. This requires a new representation outside the Hilbert space. In terms of H, we show the entropy production and the entropy flow during the emission and absorption of radiation by an atom. Analyzing the time inversion experiment, we emphasize the importance of pre- and postcollisional correlations, which break the symmetry between incoming and outgoing waves. We consider the angle dependence of the H function in a three-dimensional situation. A model including virtual transitions is discussed in a subsequent paper
Absolute Gravimetry in Fennoscandia
DEFF Research Database (Denmark)
Pettersen, B. R; TImmen, L.; Gitlein, O.
The Fennoscandian postglacial uplift has been mapped geometrically using precise levelling, tide gauges, and networks of permanent GPS stations. The results identify major uplift rates at sites located around the northern part of the Gulf of Bothnia. The vertical motions decay in all directions...... motions) has its major axis in the direction of southwest to northeast and covers a distance of about 2000 km. Absolute gravimetry was made in Finland and Norway in 1976 with a rise-and fall instrument. A decade later the number of gravity stations was expanded by JILAg-5, in Finland from 1988, in Norway...... time series of several years are now available. Along the coast there are nearby tide gauge stations, many of which have time series of several decades. We describe the observing network, procedures, auxiliary observations, and discuss results obtained for selected sites. We compare the gravity results...
Parametric Bayesian Estimation of Differential Entropy and Relative Entropy
Gupta; Srivastava
2010-01-01
Given iid samples drawn from a distribution with known parametric form, we propose the minimization of expected Bregman divergence to form Bayesian estimates of differential entropy and relative entropy, and derive such estimators for the uniform, Gaussian, Wishart, and inverse Wishart distributions. Additionally, formulas are given for a log gamma Bregman divergence and the differential entropy and relative entropy for the Wishart and inverse Wishart. The results, as always with Bayesian est...
EEG entropy measures in anesthesia
Liang, Zhenhu; Wang, Yinghua; Sun, Xue; Li, Duan; Voss, Logan J.; Sleigh, Jamie W.; Hagihira, Satoshi; Li, Xiaoli
2015-01-01
Highlights: ► Twelve entropy indices were systematically compared in monitoring depth of anesthesia and detecting burst suppression.► Renyi permutation entropy performed best in tracking EEG changes associated with different anesthesia states.► Approximate Entropy and Sample Entropy performed best in detecting burst suppression. Objective: Entropy algorithms have been widely used in analyzing EEG signals during anesthesia. However, a systematic comparison of these entropy algorithms in assessing anesthesia drugs' effect is lacking. In this study, we compare the capability of 12 entropy indices for monitoring depth of anesthesia (DoA) and detecting the burst suppression pattern (BSP), in anesthesia induced by GABAergic agents. Methods: Twelve indices were investigated, namely Response Entropy (RE) and State entropy (SE), three wavelet entropy (WE) measures [Shannon WE (SWE), Tsallis WE (TWE), and Renyi WE (RWE)], Hilbert-Huang spectral entropy (HHSE), approximate entropy (ApEn), sample entropy (SampEn), Fuzzy entropy, and three permutation entropy (PE) measures [Shannon PE (SPE), Tsallis PE (TPE) and Renyi PE (RPE)]. Two EEG data sets from sevoflurane-induced and isoflurane-induced anesthesia respectively were selected to assess the capability of each entropy index in DoA monitoring and BSP detection. To validate the effectiveness of these entropy algorithms, pharmacokinetic/pharmacodynamic (PK/PD) modeling and prediction probability (Pk) analysis were applied. The multifractal detrended fluctuation analysis (MDFA) as a non-entropy measure was compared. Results: All the entropy and MDFA indices could track the changes in EEG pattern during different anesthesia states. Three PE measures outperformed the other entropy indices, with less baseline variability, higher coefficient of determination (R2) and prediction probability, and RPE performed best; ApEn and SampEn discriminated BSP best. Additionally, these entropy measures showed an advantage in computation
Directory of Open Access Journals (Sweden)
Hongwei Yao
2016-05-01
Full Text Available 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. 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.
International Nuclear Information System (INIS)
Hudetz, T.
1989-01-01
As a 'by-product' of the Connes-Narnhofer-Thirring theory of dynamical entropy for (originally non-Abelian) nuclear C * -algebras, the well-known variational principle for topological entropy is eqivalently reformulated in purly algebraically defined terms for (separable) Abelian C * -algebras. This 'algebraic variational principle' should not only nicely illustrate the 'feed-back' of methods developed for quantum dynamical systems to the classical theory, but it could also be proved directly by 'algebraic' methods and could thus further simplify the original proof of the variational principle (at least 'in principle'). 23 refs. (Author)
DEFF Research Database (Denmark)
Yuri, Shtarkov; Justesen, Jørn
1997-01-01
The concept of entropy for an image on a discrete two dimensional grid is introduced. This concept is used as an information theoretic bound on the coding rate for the image. It is proved that this quantity exists as a limit for arbitrary sets satisfying certain conditions.......The concept of entropy for an image on a discrete two dimensional grid is introduced. This concept is used as an information theoretic bound on the coding rate for the image. It is proved that this quantity exists as a limit for arbitrary sets satisfying certain conditions....
Directory of Open Access Journals (Sweden)
F. TopsÃƒÂ¸e
2001-09-01
Full Text Available Abstract: In its modern formulation, the Maximum Entropy Principle was promoted by E.T. Jaynes, starting in the mid-fifties. The principle dictates that one should look for a distribution, consistent with available information, which maximizes the entropy. However, this principle focuses only on distributions and it appears advantageous to bring information theoretical thinking more prominently into play by also focusing on the "observer" and on coding. This view was brought forward by the second named author in the late seventies and is the view we will follow-up on here. It leads to the consideration of a certain game, the Code Length Game and, via standard game theoretical thinking, to a principle of Game Theoretical Equilibrium. This principle is more basic than the Maximum Entropy Principle in the sense that the search for one type of optimal strategies in the Code Length Game translates directly into the search for distributions with maximum entropy. In the present paper we offer a self-contained and comprehensive treatment of fundamentals of both principles mentioned, based on a study of the Code Length Game. Though new concepts and results are presented, the reading should be instructional and accessible to a rather wide audience, at least if certain mathematical details are left aside at a rst reading. The most frequently studied instance of entropy maximization pertains to the Mean Energy Model which involves a moment constraint related to a given function, here taken to represent "energy". This type of application is very well known from the literature with hundreds of applications pertaining to several different elds and will also here serve as important illustration of the theory. But our approach reaches further, especially regarding the study of continuity properties of the entropy function, and this leads to new results which allow a discussion of models with so-called entropy loss. These results have tempted us to speculate over
International Nuclear Information System (INIS)
Ponman, T.J.
1984-01-01
For some years now two different expressions have been in use for maximum entropy image restoration and there has been some controversy over which one is appropriate for a given problem. Here two further entropies are presented and it is argued that there is no single correct algorithm. The properties of the four different methods are compared using simple 1D simulations with a view to showing how they can be used together to gain as much information as possible about the original object. (orig.)
Entanglement entropy and duality
Energy Technology Data Exchange (ETDEWEB)
Radičević, Ðorđe [Stanford Institute for Theoretical Physics and Department of Physics, Stanford University, Stanford, CA 94305-4060 (United States)
2016-11-22
Using the algebraic approach to entanglement entropy, we study several dual pairs of lattice theories and show how the entropy is completely preserved across each duality. Our main result is that a maximal algebra of observables in a region typically dualizes to a non-maximal algebra in a dual region. In particular, we show how the usual notion of tracing out external degrees of freedom dualizes to a tracing out coupled to an additional summation over superselection sectors. We briefly comment on possible extensions of our results to more intricate dualities, including holographic ones.
Entropy in Collisionless Self-gravitating Systems
Barnes, Eric; Williams, L.
2010-01-01
Collisionless systems, like simulated dark matter halos or gas-less elliptical galaxies, often times have properties suggesting that a common physical principle controls their evolution. For example, N-body simulations of dark matter halos present nearly scale-free density/velocity-cubed profiles. In an attempt to understand the origins of such relationships, we adopt a thermodynamics approach. While it is well-known that self-gravitating systems do not have physically realizable thermal equilibrium configurations, we are interested in the behavior of entropy as mechanical equilibrium is acheived. We will discuss entropy production in these systems from a kinetic theory point of view. This material is based upon work supported by the National Aeronautics and Space Administration under grant NNX07AG86G issued through the Science Mission Directorate.
Landau degeneracy and black hole entropy
International Nuclear Information System (INIS)
Costa, M.S.; Perry, M.J.
1998-01-01
We consider the supergravity solution describing a configuration of intersecting D4-branes with non-vanishing world-volume gauge fields. The entropy of such a black hole is calculated in terms of the D-branes quantised charges. The non-extreme solution is also considered and the corresponding thermodynamical quantities are calculated in terms of a D-brane/anti-D-brane system. To perform the quantum mechanical D-brane analysis we study open strings with their ends on branes with a magnetic condensate. Applying the results to our D-brane system we manage to have a perfect agreement between the D-brane entropy counting and the corresponding semi-classical result. The Landau degeneracy of the open string states describing the excitations of the D-brane system enters in a crucial way. We also derive the near-extreme results which agree with the semi-classical calculations. (orig.)
Soft hairy warped black hole entropy
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.
The Elusive Nature of Entropy and Its Physical Meaning
Directory of Open Access Journals (Sweden)
Milivoje M. Kostic
2014-02-01
Full Text Available Entropy is the most used and often abused concept in science, but also in philosophy and society. Further confusions are produced by some attempts to generalize entropy with similar but not the same concepts in other disciplines. The physical meaning of phenomenological, thermodynamic entropy is reasoned and elaborated by generalizing Clausius definition with inclusion of generated heat, since it is irrelevant if entropy is changed due to reversible heat transfer or irreversible heat generation. Irreversible, caloric heat transfer is introduced as complementing reversible heat transfer. It is also reasoned and thus proven why entropy cannot be destroyed but is always generated (and thus over-all increased locally and globally, at every space and time scales, without any exception. It is concluded that entropy is a thermal displacement (dynamic thermal-volume of thermal energy due to absolute temperature as a thermal potential (dQ = TdS, and thus associated with thermal heat and absolute temperature, i.e., distribution of thermal energy within thermal micro-particles in space. Entropy is an integral measure of (random thermal energy redistribution (due to heat transfer and/or irreversible heat generation within a material system structure in space, per absolute temperature level: dS = dQSys/T = mCSysdT/T, thus logarithmic integral function, with J/K unit. It may be also expressed as a measure of “thermal disorder”, being related to logarithm of number of all thermal, dynamic microstates W (their position and momenta, S = kBlnW, or to the sum of their logarithmic probabilities S = −kB∑pilnpi, that correspond to, or are consistent with the given thermodynamic macro-state. The number of thermal microstates W, is correlated with macro-properties temperature T and volume V for ideal gases. A system form and/or functional order or disorder are not (thermal energy order/disorder and the former is not related to Thermodynamic entropy. Expanding
Algebraic entropy for algebraic maps
International Nuclear Information System (INIS)
Hone, A N W; Ragnisco, Orlando; Zullo, Federico
2016-01-01
We propose an extension of the concept of algebraic entropy, as introduced by Bellon and Viallet for rational maps, to algebraic maps (or correspondences) of a certain kind. The corresponding entropy is an index of the complexity of the map. The definition inherits the basic properties from the definition of entropy for rational maps. We give an example with positive entropy, as well as two examples taken from the theory of Bäcklund transformations. (letter)
Multivariate multiscale entropy of financial markets
Lu, Yunfan; Wang, Jun
2017-11-01
In current process of quantifying the dynamical properties of the complex phenomena in financial market system, the multivariate financial time series are widely concerned. In this work, considering the shortcomings and limitations of univariate multiscale entropy in analyzing the multivariate time series, the multivariate multiscale sample entropy (MMSE), which can evaluate the complexity in multiple data channels over different timescales, is applied to quantify the complexity of financial markets. Its effectiveness and advantages have been detected with numerical simulations with two well-known synthetic noise signals. For the first time, the complexity of four generated trivariate return series for each stock trading hour in China stock markets is quantified thanks to the interdisciplinary application of this method. We find that the complexity of trivariate return series in each hour show a significant decreasing trend with the stock trading time progressing. Further, the shuffled multivariate return series and the absolute multivariate return series are also analyzed. As another new attempt, quantifying the complexity of global stock markets (Asia, Europe and America) is carried out by analyzing the multivariate returns from them. Finally we utilize the multivariate multiscale entropy to assess the relative complexity of normalized multivariate return volatility series with different degrees.
Critical study on conventional concept of entropy
International Nuclear Information System (INIS)
Afridi, M.K.; Nizami, S.
2006-01-01
The concept of increase in entropy or disorder as a result of all natural processes has been critically reviewed on the basis of experimental facts and ongoing phenomena on our Globe. Similarly, order-disorder statements have also been judged under new and fresh look. In fact, these are not absolute but depend upon defining specific purpose and considering that whether that purpose is being served or not. The new concept has been elaborated by considering natural biological processes, spontaneous mixing of four different gases, distribution of four points in space and assembling of a packaged electronic gadget. Actually, this order-disorder dilemma is the result of not defining the specific purpose of a process which leads to so-called concept that disorder is increasing day by day in our universe. The traditional concept of entropy has been finally tested under heat exchange and probability considerations, which also yield no information to discern it as a measure of disorder. Consequently, increase of entropy translating into increase of disorder could not be applied to all natural processes especially the natural biological systems. (author)
International Nuclear Information System (INIS)
Hansen, Frank
2016-01-01
Incremental information, as measured by the quantum entropy, is increasing when two ensembles are united. This result was proved by Lieb and Ruskai, and it is the foundation for the proof of strong subadditivity of quantum entropy. We present a truly elementary proof of this fact in the context of the broader family of matrix entropies introduced by Chen and Tropp.
Energy Technology Data Exchange (ETDEWEB)
Hansen, Frank, E-mail: frank.hansen@m.tohoku.ac.jp [Tohoku University, Institute for Excellence in Higher Education (Japan)
2016-06-15
Incremental information, as measured by the quantum entropy, is increasing when two ensembles are united. This result was proved by Lieb and Ruskai, and it is the foundation for the proof of strong subadditivity of quantum entropy. We present a truly elementary proof of this fact in the context of the broader family of matrix entropies introduced by Chen and Tropp.
Relations Among Some Fuzzy Entropy Formulae
Institute of Scientific and Technical Information of China (English)
卿铭
2004-01-01
Fuzzy entropy has been widely used to analyze and design fuzzy systems, and many fuzzy entropy formulae have been proposed. For further in-deepth analysis of fuzzy entropy, the axioms and some important formulae of fuzzy entropy are introduced. Some equivalence results among these fuzzy entropy formulae are proved, and it is shown that fuzzy entropy is a special distance measurement.
Indian Academy of Sciences (India)
Home; Journals; Resonance – Journal of Science Education; Volume 6; Issue 9. Entropy à la Boltzmann. Jayanta K Bhattacharjee. General Article Volume 6 Issue 9 September 2001 pp 19-34. Fulltext. Click here to view fulltext PDF. Permanent link: https://www.ias.ac.in/article/fulltext/reso/006/09/0019-0034 ...
Indian Academy of Sciences (India)
Consider the integral. taken over a reversible transformation. We shall call this function the entropy of state A.” 'Thermodynamics' by Enrico Fermi. “Let Γ be the volume of the region of motion of the states, and. This is the basic assumption of ...
Aur, Dorian; Vila-Rodriguez, Fidel
2017-01-01
Complexity measures for time series have been used in many applications to quantify the regularity of one dimensional time series, however many dynamical systems are spatially distributed multidimensional systems. We introduced Dynamic Cross-Entropy (DCE) a novel multidimensional complexity measure that quantifies the degree of regularity of EEG signals in selected frequency bands. Time series generated by discrete logistic equations with varying control parameter r are used to test DCE measures. Sliding window DCE analyses are able to reveal specific period doubling bifurcations that lead to chaos. A similar behavior can be observed in seizures triggered by electroconvulsive therapy (ECT). Sample entropy data show the level of signal complexity in different phases of the ictal ECT. The transition to irregular activity is preceded by the occurrence of cyclic regular behavior. A significant increase of DCE values in successive order from high frequencies in gamma to low frequencies in delta band reveals several phase transitions into less ordered states, possible chaos in the human brain. To our knowledge there are no reliable techniques able to reveal the transition to chaos in case of multidimensional times series. In addition, DCE based on sample entropy appears to be robust to EEG artifacts compared to DCE based on Shannon entropy. The applied technique may offer new approaches to better understand nonlinear brain activity. Copyright Â© 2016 Elsevier B.V. All rights reserved.
Rescaling Temperature and Entropy
Olmsted, John, III
2010-01-01
Temperature and entropy traditionally are expressed in units of kelvin and joule/kelvin. These units obscure some important aspects of the natures of these thermodynamic quantities. Defining a rescaled temperature using the Boltzmann constant, T' = k[subscript B]T, expresses temperature in energy units, thereby emphasizing the close relationship…
Optimized Kernel Entropy Components.
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.
Zucker, M. H.
This paper is a critical analysis and reassessment of entropic functioning as it applies to the question of whether the ultimate fate of the universe will be determined in the future to be "open" (expanding forever to expire in a big chill), "closed" (collapsing to a big crunch), or "flat" (balanced forever between the two). The second law of thermodynamics declares that entropy can only increase and that this principle extends, inevitably, to the universe as a whole. This paper takes the position that this extension is an unwarranted projection based neither on experience nonfact - an extrapolation that ignores the powerful effect of a gravitational force acting within a closed system. Since it was originally presented by Clausius, the thermodynamic concept of entropy has been redefined in terms of "order" and "disorder" - order being equated with a low degree of entropy and disorder with a high degree. This revised terminology more subjective than precise, has generated considerable confusion in cosmology in several critical instances. For example - the chaotic fireball of the big bang, interpreted by Stephen Hawking as a state of disorder (high entropy), is infinitely hot and, thermally, represents zero entropy (order). Hawking, apparently focusing on the disorderly "chaotic" aspect, equated it with a high degree of entropy - overlooking the fact that the universe is a thermodynamic system and that the key factor in evaluating the big-bang phenomenon is the infinitely high temperature at the early universe, which can only be equated with zero entropy. This analysis resolves this confusion and reestablishes entropy as a cosmological function integrally linked to temperature. The paper goes on to show that, while all subsystems contained within the universe require external sources of energization to have their temperatures raised, this requirement does not apply to the universe as a whole. The universe is the only system that, by itself can raise its own
Nernst Theorem and Statistical Entropy of 5-Dimensional Rotating Black Hole
Institute of Scientific and Technical Information of China (English)
ZHAO Ren; WU Yue-Qin; ZHANG Li-Chun
2003-01-01
In this paper, by using quantum statistical method, we obtain the partition function of Bose field and Fermi field on the background of the 5-dimensional rotating black hole. Then via the improved brick-wall method and membrane model, we calculate the entropy of Bose field and Fermi field of the black hole. And it is obtained that the entropy of the black hole is not only related to the area of the outer horizon but also is the function of inner horizon's area. In our results, there are not the left out term and the divergent logarithmic term in the original brick-wall method.The doubt that why the entropy of the scalar or Dirac field outside the event horizon is the entropy of the black hole in the original brick-wall method does not exist. The influence of spinning degeneracy of particles on entropy of the black hole is also given. It is shown that the entropy determined by the areas of the inner and outer horizons will approach zero,when the radiation temperature of the black hole approaches absolute zero. It satisfies Nernst theorem. The entropy can be taken as the Planck absolute entropy. We provide a way to study higher dimensional black hole.
Third law of thermodynamics as a key test of generalized entropies.
Bento, E P; Viswanathan, G M; da Luz, M G E; Silva, R
2015-02-01
The laws of thermodynamics constrain the formulation of statistical mechanics at the microscopic level. The third law of thermodynamics states that the entropy must vanish at absolute zero temperature for systems with nondegenerate ground states in equilibrium. Conversely, the entropy can vanish only at absolute zero temperature. Here we ask whether or not generalized entropies satisfy this fundamental property. We propose a direct analytical procedure to test if a generalized entropy satisfies the third law, assuming only very general assumptions for the entropy S and energy U of an arbitrary N-level classical system. Mathematically, the method relies on exact calculation of β=dS/dU in terms of the microstate probabilities p(i). To illustrate this approach, we present exact results for the two best known generalizations of statistical mechanics. Specifically, we study the Kaniadakis entropy S(κ), which is additive, and the Tsallis entropy S(q), which is nonadditive. We show that the Kaniadakis entropy correctly satisfies the third law only for -1law for q<1. Finally, we give a concrete example of the power of our proposed method by applying it to a paradigmatic system: the one-dimensional ferromagnetic Ising model with nearest-neighbor interactions.
Entropy equilibrium equation and dynamic entropy production in environment liquid
Institute of Scientific and Technical Information of China (English)
无
2002-01-01
The entropy equilibrium equation is the basis of the nonequilibrium state thermodynamics. But the internal energy implies the kinetic energy of the fluid micelle relative to mass center in the classical entropy equilibrium equation at present. This internal energy is not the mean kinetic energy of molecular movement in thermodynamics. Here a modified entropy equilibrium equation is deduced, based on the concept that the internal energy is just the mean kinetic energy of the molecular movement. A dynamic entropy production is introduced into the entropy equilibrium equation to describe the dynamic process distinctly. This modified entropy equilibrium equation can describe not only the entropy variation of the irreversible processes but also the reversible processes in a thermodynamic system. It is more reasonable and suitable for wider applications.
Entropy, neutro-entropy and anti-entropy for neutrosophic information
Vasile Patrascu
2017-01-01
This approach presents a multi-valued representation of the neutrosophic information. It highlights the link between the bifuzzy information and neutrosophic one. The constructed deca-valued structure shows the neutrosophic information complexity. This deca-valued structure led to construction of two new concepts for the neutrosophic information: neutro-entropy and anti-entropy. These two concepts are added to the two existing: entropy and non-entropy. Thus, we obtained the following triad: e...
Entropy, neutro-entropy and anti-entropy for neutrosophic information
Vasile Patrascu
2017-01-01
This article shows a deca-valued representation of neutrosophic information in which are defined the following features: truth, falsity, weak truth, weak falsity, ignorance, contradiction, saturation, neutrality, ambiguity and hesitation. Using these features, there are constructed computing formulas for entropy, neutro-entropy and anti-entropy.
Brain entropy and human intelligence: A resting-state fMRI study.
Saxe, Glenn N; Calderone, Daniel; Morales, Leah J
2018-01-01
Human intelligence comprises comprehension of and reasoning about an infinitely variable external environment. A brain capable of large variability in neural configurations, or states, will more easily understand and predict variable external events. Entropy measures the variety of configurations possible within a system, and recently the concept of brain entropy has been defined as the number of neural states a given brain can access. This study investigates the relationship between human intelligence and brain entropy, to determine whether neural variability as reflected in neuroimaging signals carries information about intellectual ability. We hypothesize that intelligence will be positively associated with entropy in a sample of 892 healthy adults, using resting-state fMRI. Intelligence is measured with the Shipley Vocabulary and WASI Matrix Reasoning tests. Brain entropy was positively associated with intelligence. This relation was most strongly observed in the prefrontal cortex, inferior temporal lobes, and cerebellum. This relationship between high brain entropy and high intelligence indicates an essential role for entropy in brain functioning. It demonstrates that access to variable neural states predicts complex behavioral performance, and specifically shows that entropy derived from neuroimaging signals at rest carries information about intellectual capacity. Future work in this area may elucidate the links between brain entropy in both resting and active states and various forms of intelligence. This insight has the potential to provide predictive information about adaptive behavior and to delineate the subdivisions and nature of intelligence based on entropic patterns.
Brain entropy and human intelligence: A resting-state fMRI study
Calderone, Daniel; Morales, Leah J.
2018-01-01
Human intelligence comprises comprehension of and reasoning about an infinitely variable external environment. A brain capable of large variability in neural configurations, or states, will more easily understand and predict variable external events. Entropy measures the variety of configurations possible within a system, and recently the concept of brain entropy has been defined as the number of neural states a given brain can access. This study investigates the relationship between human intelligence and brain entropy, to determine whether neural variability as reflected in neuroimaging signals carries information about intellectual ability. We hypothesize that intelligence will be positively associated with entropy in a sample of 892 healthy adults, using resting-state fMRI. Intelligence is measured with the Shipley Vocabulary and WASI Matrix Reasoning tests. Brain entropy was positively associated with intelligence. This relation was most strongly observed in the prefrontal cortex, inferior temporal lobes, and cerebellum. This relationship between high brain entropy and high intelligence indicates an essential role for entropy in brain functioning. It demonstrates that access to variable neural states predicts complex behavioral performance, and specifically shows that entropy derived from neuroimaging signals at rest carries information about intellectual capacity. Future work in this area may elucidate the links between brain entropy in both resting and active states and various forms of intelligence. This insight has the potential to provide predictive information about adaptive behavior and to delineate the subdivisions and nature of intelligence based on entropic patterns. PMID:29432427
Structural contributions to the third-law entropy of uranyl phases
International Nuclear Information System (INIS)
Chen, F.; Ewing, R.C.
1999-01-01
Entropies that are used in geochemical calculations are usually based on calorimetric measurements. However, because of the contributions of neglected residual entropies which cannot be determined by calorimetric measurements, the true third-law entropies for many phases may be quite different from those derived from thermal data. The residual entropies are caused by site-mixing, structural disorder and magnetic spin disorder and may result in a considerable contribution to the third-law entropy of solid phases. Magnetic spin-configurational entropy is not expected to be significant in uranyl phases. However, because most uranyl phases are based on sheet or chain structures and usually contain several molecular water groups, site-mixing, vacancies, as well as disorder in the orientation of hydrogen bonds and the polar H 2 O molecules may occur. Calculations of the ideal site-mixing configurational entropy for some uranyl phases indicate that the residual contributions that arise from substitution and vacancies to the third-law entropies of uranyl phases may be large. A brief examination of the crystal chemistry of water molecules in uranyl phases suggests that considerable residual entropy may be caused by the disorder of hydrogen bonds associated with interstitial H 2 O groups
The different paths to entropy
International Nuclear Information System (INIS)
Benguigui, L
2013-01-01
In order to understand how the complex concept of entropy emerged, we propose a trip into the past, reviewing the works of Clausius, Boltzmann, Gibbs and Planck. In particular, since Gibbs's work is not very well known we present a detailed analysis, recalling the three definitions of entropy that Gibbs gives. The introduction of entropy in quantum mechanics gives in a compact form all the classical definitions of entropy. Perhaps one of the most important aspects of entropy is to see it as a thermodynamic potential like the others proposed by Callen. The calculation of fluctuations in thermodynamic quantities is thus naturally related to entropy. We close with some remarks on entropy and irreversibility. (paper)
Absolute risk, absolute risk reduction and relative risk
Directory of Open Access Journals (Sweden)
Jose Andres Calvache
2012-12-01
Full Text Available This article illustrates the epidemiological concepts of absolute risk, absolute risk reduction and relative risk through a clinical example. In addition, it emphasizes the usefulness of these concepts in clinical practice, clinical research and health decision-making process.
Holographic Entanglement Entropy
Rangamani, Mukund
2016-01-01
We review the developments in the past decade on holographic entanglement entropy, a subject that has garnered much attention owing to its potential to teach us about the emergence of spacetime in holography. We provide an introduction to the concept of entanglement entropy in quantum field theories, review the holographic proposals for computing the same, providing some justification for where these proposals arise from in the first two parts. The final part addresses recent developments linking entanglement and geometry. We provide an overview of the various arguments and technical developments that teach us how to use field theory entanglement to detect geometry. Our discussion is by design eclectic; we have chosen to focus on developments that appear to us most promising for further insights into the holographic map. This is a preliminary draft of a few chapters of a book which will appear sometime in the near future, to be published by Springer. The book in addition contains a discussion of application o...
Entropy region and convolution
Czech Academy of Sciences Publication Activity Database
Matúš, František; Csirmaz, L.
2016-01-01
Roč. 62, č. 11 (2016), s. 6007-6018 ISSN 0018-9448 R&D Projects: GA ČR GA13-20012S Institutional support: RVO:67985556 Keywords : entropy region * information-theoretic inequality * polymatroid Subject RIV: BD - Theory of Information Impact factor: 2.679, year: 2016 http://library.utia.cas.cz/separaty/2016/MTR/matus-0465564.pdf
Hyperspherical entanglement entropy
International Nuclear Information System (INIS)
Dowker, J S
2010-01-01
The coefficient of the log term in the entanglement entropy associated with hyperspherical surfaces in flat spacetime is shown to equal the conformal anomaly by conformally transforming Euclideanized spacetime to a sphere and using already existing formulae for the relevant heat-kernel coefficients after cyclic factoring. The result follows from the fact that the conformal anomaly on this lune has an extremum at the ordinary sphere limit. A proof is given. Agreement with a recent evaluation of the coefficient is found.
Hyperspherical entanglement entropy
Energy Technology Data Exchange (ETDEWEB)
Dowker, J S, E-mail: dowker@man.ac.u [Theory Group, School of Physics and Astronomy, University of Manchester, Manchester (United Kingdom)
2010-11-05
The coefficient of the log term in the entanglement entropy associated with hyperspherical surfaces in flat spacetime is shown to equal the conformal anomaly by conformally transforming Euclideanized spacetime to a sphere and using already existing formulae for the relevant heat-kernel coefficients after cyclic factoring. The result follows from the fact that the conformal anomaly on this lune has an extremum at the ordinary sphere limit. A proof is given. Agreement with a recent evaluation of the coefficient is found.
Thermal Expansion Anomaly Regulated by Entropy
Liu, Zi-Kui; Wang, Yi; Shang, Shunli
2014-11-01
Thermal expansion, defined as the temperature dependence of volume under constant pressure, is a common phenomenon in nature and originates from anharmonic lattice dynamics. However, it has been poorly understood how thermal expansion can show anomalies such as colossal positive, zero, or negative thermal expansion (CPTE, ZTE, or NTE), especially in quantitative terms. Here we show that changes in configurational entropy due to metastable micro(scopic)states can lead to quantitative prediction of these anomalies. We integrate the Maxwell relation, statistic mechanics, and first-principles calculations to demonstrate that when the entropy is increased by pressure, NTE occurs such as in Invar alloy (Fe3Pt, for example), silicon, ice, and water, and when the entropy is decreased dramatically by pressure, CPTE is expected such as in anti-Invar cerium, ice and water. Our findings provide a theoretic framework to understand and predict a broad range of anomalies in nature in addition to thermal expansion, which may include gigantic electrocaloric and electromechanical responses, anomalously reduced thermal conductivity, and spin distributions.
Entropy for Mechanically Vibrating Systems
Tufano, Dante
The research contained within this thesis deals with the subject of entropy as defined for and applied to mechanically vibrating systems. This work begins with an overview of entropy as it is understood in the fields of classical thermodynamics, information theory, statistical mechanics, and statistical vibroacoustics. Khinchin's definition of entropy, which is the primary definition used for the work contained in this thesis, is introduced in the context of vibroacoustic systems. The main goal of this research is to to establish a mathematical framework for the application of Khinchin's entropy in the field of statistical vibroacoustics by examining the entropy context of mechanically vibrating systems. The introduction of this thesis provides an overview of statistical energy analysis (SEA), a modeling approach to vibroacoustics that motivates this work on entropy. The objective of this thesis is given, and followed by a discussion of the intellectual merit of this work as well as a literature review of relevant material. Following the introduction, an entropy analysis of systems of coupled oscillators is performed utilizing Khinchin's definition of entropy. This analysis develops upon the mathematical theory relating to mixing entropy, which is generated by the coupling of vibroacoustic systems. The mixing entropy is shown to provide insight into the qualitative behavior of such systems. Additionally, it is shown that the entropy inequality property of Khinchin's entropy can be reduced to an equality using the mixing entropy concept. This equality can be interpreted as a facet of the second law of thermodynamics for vibroacoustic systems. Following this analysis, an investigation of continuous systems is performed using Khinchin's entropy. It is shown that entropy analyses using Khinchin's entropy are valid for continuous systems that can be decomposed into a finite number of modes. The results are shown to be analogous to those obtained for simple oscillators
Preimage entropy dimension of topological dynamical systems
Liu, Lei; Zhou, Xiaomin; Zhou, Xiaoyao
2014-01-01
We propose a new definition of preimage entropy dimension for continuous maps on compact metric spaces, investigate fundamental properties of the preimage entropy dimension, and compare the preimage entropy dimension with the topological entropy dimension. The defined preimage entropy dimension holds various basic properties of topological entropy dimension, for example, the preimage entropy dimension of a subsystem is bounded by that of the original system and topologically conjugated system...
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.
Directory of Open Access Journals (Sweden)
Bernard S. Kay
2015-12-01
Full Text Available We give a review, in the style of an essay, of the author’s 1998 matter-gravity entanglement hypothesis which, unlike the standard approach to entropy based on coarse-graining, offers a definition for the entropy of a closed system as a real and objective quantity. We explain how this approach offers an explanation for the Second Law of Thermodynamics in general and a non-paradoxical understanding of information loss during black hole formation and evaporation in particular. It also involves a radically different from usual description of black hole equilibrium states in which the total state of a black hole in a box together with its atmosphere is a pure state—entangled in just such a way that the reduced state of the black hole and of its atmosphere are each separately approximately thermal. We also briefly recall some recent work of the author which involves a reworking of the string-theory understanding of black hole entropy consistent with this alternative description of black hole equilibrium states and point out that this is free from some unsatisfactory features of the usual string theory understanding. We also recall the author’s recent arguments based on this alternative description which suggest that the Anti de Sitter space (AdS/conformal field theory (CFT correspondence is a bijection between the boundary CFT and just the matter degrees of freedom of the bulk theory.
Projective absoluteness for Sacks forcing
Ikegami, D.
2009-01-01
We show that Sigma(1)(3)-absoluteness for Sacks forcing is equivalent to the nonexistence of a Delta(1)(2) Bernstein set. We also show that Sacks forcing is the weakest forcing notion among all of the preorders that add a new real with respect to Sigma(1)(3) forcing absoluteness.
Entanglement entropy and differential entropy for massive flavors
International Nuclear Information System (INIS)
Jones, Peter A.R.; Taylor, Marika
2015-01-01
In this paper we compute the holographic entanglement entropy for massive flavors in the D3-D7 system, for arbitrary mass and various entangling region geometries. We show that the universal terms in the entanglement entropy exactly match those computed in the dual theory using conformal perturbation theory. We derive holographically the universal terms in the entanglement entropy for a CFT perturbed by a relevant operator, up to second order in the coupling; our results are valid for any entangling region geometry. We present a new method for computing the entanglement entropy of any top-down brane probe system using Kaluza-Klein holography and illustrate our results with massive flavors at finite density. Finally we discuss the differential entropy for brane probe systems, emphasising that the differential entropy captures only the effective lower-dimensional Einstein metric rather than the ten-dimensional geometry.
Parameters Tuning of Model Free Adaptive Control Based on Minimum Entropy
Institute of Scientific and Technical Information of China (English)
Chao Ji; Jing Wang; Liulin Cao; Qibing Jin
2014-01-01
Dynamic linearization based model free adaptive control(MFAC) algorithm has been widely used in practical systems, in which some parameters should be tuned before it is successfully applied to process industries. Considering the random noise existing in real processes, a parameter tuning method based on minimum entropy optimization is proposed,and the feature of entropy is used to accurately describe the system uncertainty. For cases of Gaussian stochastic noise and non-Gaussian stochastic noise, an entropy recursive optimization algorithm is derived based on approximate model or identified model. The extensive simulation results show the effectiveness of the minimum entropy optimization for the partial form dynamic linearization based MFAC. The parameters tuned by the minimum entropy optimization index shows stronger stability and more robustness than these tuned by other traditional index,such as integral of the squared error(ISE) or integral of timeweighted absolute error(ITAE), when the system stochastic noise exists.
Li, Shu-Nan; Cao, Bing-Yang
2017-09-01
The second law of thermodynamics governs the direction of heat transport, which provides the foundational definition of thermodynamic Clausius entropy. The definitions of entropy are further generalized for the phenomenological heat transport models in the frameworks of classical irreversible thermodynamics and extended irreversible thermodynamics (EIT). In this work, entropic functions from mathematics are combined with phenomenological heat conduction models and connected to several information-geometrical conceptions. The long-time behaviors of these mathematical entropies exhibit a wide diversity and physical pictures in phenomenological heat conductions, including the tendency to thermal equilibrium, and exponential decay of nonequilibrium and asymptotics, which build a bridge between the macroscopic and microscopic modelings. In contrast with the EIT entropies, the mathematical entropies expressed in terms of the internal energy function can avoid singularity paired with nonpositive local absolute temperature caused by non-Fourier heat conduction models.
Absolute continuity of the distribution of some Markov geometric series
Institute of Scientific and Technical Information of China (English)
Ai-hua; FAN; Ji-hong; ZHANG
2007-01-01
Let (∈n)≥0 be the Markov chain of two states with respect to the probability measure of the maximal entropy on the subshift space ∑A defined by Fibonacci incident matrix A.We consider the measure μλ of the probability distribution of the random series ∑∞n=0 εnλn (0 ＜λ＜ 1).It is proved that μλ is singular if λ∈ (0,√5-1/2) and that μλ is absolutely continuous for almost all λ∈ (√5-1/2,0.739).
Logarithmic black hole entropy corrections and holographic Renyi entropy
Energy Technology Data Exchange (ETDEWEB)
Mahapatra, Subhash [The Institute of Mathematical Sciences, Chennai (India); KU Leuven - KULAK, Department of Physics, Kortrijk (Belgium)
2018-01-15
The entanglement and Renyi entropies for spherical entangling surfaces in CFTs with gravity duals can be explicitly calculated by mapping these entropies first to the thermal entropy on hyperbolic space and then, using the AdS/CFT correspondence, to the Wald entropy of topological black holes. Here we extend this idea by taking into account corrections to the Wald entropy. Using the method based on horizon symmetries and the asymptotic Cardy formula, we calculate corrections to the Wald entropy and find that these corrections are proportional to the logarithm of the area of the horizon. With the corrected expression for the entropy of the black hole, we then find corrections to the Renyi entropies. We calculate these corrections for both Einstein and Gauss-Bonnet gravity duals. Corrections with logarithmic dependence on the area of the entangling surface naturally occur at the order G{sub D}{sup 0}. The entropic c-function and the inequalities of the Renyi entropy are also satisfied even with the correction terms. (orig.)
Parametric Bayesian Estimation of Differential Entropy and Relative Entropy
Directory of Open Access Journals (Sweden)
Maya Gupta
2010-04-01
Full Text Available Given iid samples drawn from a distribution with known parametric form, we propose the minimization of expected Bregman divergence to form Bayesian estimates of differential entropy and relative entropy, and derive such estimators for the uniform, Gaussian, Wishart, and inverse Wishart distributions. Additionally, formulas are given for a log gamma Bregman divergence and the differential entropy and relative entropy for the Wishart and inverse Wishart. The results, as always with Bayesian estimates, depend on the accuracy of the prior parameters, but example simulations show that the performance can be substantially improved compared to maximum likelihood or state-of-the-art nonparametric estimators.
Logarithmic black hole entropy corrections and holographic Renyi entropy
International Nuclear Information System (INIS)
Mahapatra, Subhash
2018-01-01
The entanglement and Renyi entropies for spherical entangling surfaces in CFTs with gravity duals can be explicitly calculated by mapping these entropies first to the thermal entropy on hyperbolic space and then, using the AdS/CFT correspondence, to the Wald entropy of topological black holes. Here we extend this idea by taking into account corrections to the Wald entropy. Using the method based on horizon symmetries and the asymptotic Cardy formula, we calculate corrections to the Wald entropy and find that these corrections are proportional to the logarithm of the area of the horizon. With the corrected expression for the entropy of the black hole, we then find corrections to the Renyi entropies. We calculate these corrections for both Einstein and Gauss-Bonnet gravity duals. Corrections with logarithmic dependence on the area of the entangling surface naturally occur at the order G D 0 . The entropic c-function and the inequalities of the Renyi entropy are also satisfied even with the correction terms. (orig.)
Entropy: From Thermodynamics to Hydrology
Directory of Open Access Journals (Sweden)
Demetris Koutsoyiannis
2014-02-01
Full Text Available Some known results from statistical thermophysics as well as from hydrology are revisited from a different perspective trying: (a to unify the notion of entropy in thermodynamic and statistical/stochastic approaches of complex hydrological systems and (b to show the power of entropy and the principle of maximum entropy in inference, both deductive and inductive. The capability for deductive reasoning is illustrated by deriving the law of phase change transition of water (Clausius-Clapeyron from scratch by maximizing entropy in a formal probabilistic frame. However, such deductive reasoning cannot work in more complex hydrological systems with diverse elements, yet the entropy maximization framework can help in inductive inference, necessarily based on data. Several examples of this type are provided in an attempt to link statistical thermophysics with hydrology with a unifying view of entropy.
An exploration for the macroscopic physical meaning of entropy
Institute of Scientific and Technical Information of China (English)
无
2010-01-01
The macroscopic physical meaning of entropy is analyzed based on the exergy (availability) of a combined system (a closed system and its environment), which is the maximum amount of useful work obtainable from the system and the environment as the system is brought into equilibrium with the environment. The process the system experiences can be divided in two sequent sub-processes, the process at constant volume, which represents the heat interaction of the system with the environment, and the adiabatic process, which represents the work interaction of the system with the environment. It is shown that the macroscopic physical meaning of entropy is a measure of the unavailable energy of a closed system for doing useful work through heat interaction. This statement is more precise than those reported in prior literature. The unavailability function of a closed system can be defined as T0S and p0V in volume constant process and adiabatic process, respectively. Their changes, that is, AiTgS) and A (p0V) represent the unusable parts of the internal energy of a closed system for doing useful work in corresponding processes. Finally, the relation between Clausius entropy and Boltzmann entropy is discussed based on the comparison of their expressions for absolute entropy.
Credal Networks under Maximum Entropy
Lukasiewicz, Thomas
2013-01-01
We apply the principle of maximum entropy to select a unique joint probability distribution from the set of all joint probability distributions specified by a credal network. In detail, we start by showing that the unique joint distribution of a Bayesian tree coincides with the maximum entropy model of its conditional distributions. This result, however, does not hold anymore for general Bayesian networks. We thus present a new kind of maximum entropy models, which are computed sequentially. ...
Entropy and transverse section reconstruction
International Nuclear Information System (INIS)
Gullberg, G.T.
1976-01-01
A new approach to the reconstruction of a transverse section using projection data from multiple views incorporates the concept of maximum entropy. The principle of maximizing information entropy embodies the assurance of minimizing bias or prejudice in the reconstruction. Using maximum entropy is a necessary condition for the reconstructed image. This entropy criterion is most appropriate for 3-D reconstruction of objects from projections where the system is underdetermined or the data are limited statistically. This is the case in nuclear medicine time limitations in patient studies do not yield sufficient projections
Gyrokinetic statistical absolute equilibrium and turbulence
International Nuclear Information System (INIS)
Zhu Jianzhou; Hammett, Gregory W.
2010-01-01
A paradigm based on the absolute equilibrium of Galerkin-truncated inviscid systems to aid in understanding turbulence [T.-D. Lee, Q. Appl. Math. 10, 69 (1952)] is taken to study gyrokinetic plasma turbulence: a finite set of Fourier modes of the collisionless gyrokinetic equations are kept and the statistical equilibria are calculated; possible implications for plasma turbulence in various situations are discussed. For the case of two spatial and one velocity dimension, in the calculation with discretization also of velocity v with N grid points (where N+1 quantities are conserved, corresponding to an energy invariant and N entropy-related invariants), the negative temperature states, corresponding to the condensation of the generalized energy into the lowest modes, are found. This indicates a generic feature of inverse energy cascade. Comparisons are made with some classical results, such as those of Charney-Hasegawa-Mima in the cold-ion limit. There is a universal shape for statistical equilibrium of gyrokinetics in three spatial and two velocity dimensions with just one conserved quantity. Possible physical relevance to turbulence, such as ITG zonal flows, and to a critical balance hypothesis are also discussed.
Gyrokinetic Statistical Absolute Equilibrium and Turbulence
International Nuclear Information System (INIS)
Zhu, Jian-Zhou; Hammett, Gregory W.
2011-01-01
A paradigm based on the absolute equilibrium of Galerkin-truncated inviscid systems to aid in understanding turbulence (T.-D. Lee, 'On some statistical properties of hydrodynamical and magnetohydrodynamical fields,' Q. Appl. Math. 10, 69 (1952)) is taken to study gyrokinetic plasma turbulence: A finite set of Fourier modes of the collisionless gyrokinetic equations are kept and the statistical equilibria are calculated; possible implications for plasma turbulence in various situations are discussed. For the case of two spatial and one velocity dimension, in the calculation with discretization also of velocity v with N grid points (where N + 1 quantities are conserved, corresponding to an energy invariant and N entropy-related invariants), the negative temperature states, corresponding to the condensation of the generalized energy into the lowest modes, are found. This indicates a generic feature of inverse energy cascade. Comparisons are made with some classical results, such as those of Charney-Hasegawa-Mima in the cold-ion limit. There is a universal shape for statistical equilibrium of gyrokinetics in three spatial and two velocity dimensions with just one conserved quantity. Possible physical relevance to turbulence, such as ITG zonal flows, and to a critical balance hypothesis are also discussed.
Nonextensive entropy interdisciplinary applications
Tsallis, Constantino
2004-01-01
A great variety of complex phenomena in many scientific fields exhibit power-law behavior, reflecting a hierarchical or fractal structure. Many of these phenomena seem to be susceptible to description using approaches drawn from thermodynamics or statistical mechanics, particularly approaches involving the maximization of entropy and of Boltzmann-Gibbs statistical mechanics and standard laws in a natural way. The book addresses the interdisciplinary applications of these ideas, and also on various phenomena that could possibly be quantitatively describable in terms of these ideas.
Minimum Error Entropy Classification
Marques de Sá, Joaquim P; Santos, Jorge M F; Alexandre, Luís A
2013-01-01
This book explains the minimum error entropy (MEE) concept applied to data classification machines. Theoretical results on the inner workings of the MEE concept, in its application to solving a variety of classification problems, are presented in the wider realm of risk functionals. Researchers and practitioners also find in the book a detailed presentation of practical data classifiers using MEE. These include multi‐layer perceptrons, recurrent neural networks, complexvalued neural networks, modular neural networks, and decision trees. A clustering algorithm using a MEE‐like concept is also presented. Examples, tests, evaluation experiments and comparison with similar machines using classic approaches, complement the descriptions.
Definition of Turbulent Boundary-Layer with Entropy Concept
Directory of Open Access Journals (Sweden)
Zhao Rui
2016-01-01
Full Text Available The relationship between the entropy increment and the viscosity dissipation in turbulent boundary-layer is systematically investigated. Through theoretical analysis and direct numerical simulation (DNS, an entropy function fs is proposed to distinguish the turbulent boundary-layer from the external flow. This approach is proved to be reliable after comparing its performance in the following complex flows, namely, low-speed airfoil flows with different wall temperature, supersonic cavity-ramp flow dominated by the combination of free-shear layer, larger recirculation and shocks, and the hypersonic flow past an aeroplane configuration. Moreover, fs is deduced from the point of energy, independent of any particular turbulent quantities. That is, this entropy concept could be utilized by other engineering applications related with turbulent boundary-layer, such as turbulence modelling transition prediction and engineering thermal protection.
Residual Entropy, the Third Law and Latent Heat
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Frank L. Lambert
2008-09-01
Full Text Available A novel thermodynamic treatment of residual entropy in crystals, involving the configurational partition function, is suggested, which is consistent with both classical and statistical thermodynamics. It relates residual entropy to the inherent latent heat which would be released upon cooling if the reversible path were available. The nature of this heat is that if the crystal possessing residual entropy freezes above its BoltzmannÃ¢Â€Â™s characteristic temperature of molecular alignment, the difference in energy between different molecular arrangements is overcome by the kT heat bath to form a nearly-ideal solution. However, upon cooling below this characteristic temperature, they would separate with a concomitant release of the corresponding energy, provided the reversible path were available.
Information Entropy Measures for Stand Structural Diversity:Joint Entropy
Institute of Scientific and Technical Information of China (English)
Lei Xiangdong; Lu Yuanchang
2004-01-01
Structural diversity is the key attribute of a stand. A set of biodiversity measures in ecology was introduced in forest management for describing stand structure, of which Shannon information entropy (Shannon index) has been the most widely used measure of species diversity. It is generally thought that tree size diversity could serve as a good proxy for height diversity. However, tree size diversity and height diversity for stand structure is not completely consistent. Stand diameter cannot reflect height information completely. Either tree size diversity or height diversity is one-dimensional information entropy measure. This paper discussed the method of multiple-dimensional information entropy measure with the concept of joint entropy. It is suggested that joint entropy is a good measure for describing overall stand structural diversity.
Weak entropy inequalities and entropic convergence
Institute of Scientific and Technical Information of China (English)
2008-01-01
A criterion for algebraic convergence of the entropy is presented and an algebraic convergence result for the entropy of an exclusion process is improved. A weak entropy inequality is considered and its relationship to entropic convergence is discussed.
Entropy concentration and the empirical coding game
Grünwald, P.D.
2008-01-01
We give a characterization of maximum entropy/minimum relative entropy inference by providing two 'strong entropy concentration' theorems. These theorems unify and generalize Jaynes''concentration phenomenon' and Van Campenhout and Cover's 'conditional limit theorem'. The theorems characterize
Directory of Open Access Journals (Sweden)
John Scales Avery
2012-04-01
Full Text Available In this essay, human society is regarded as a “superorganism”, analogous to colonies of social insects. The digestive system of the human superorganism is the global economy, which ingests both free energy and resources, and later excretes them in a degraded form. This process involves an increase in entropy. Early in the 20th century, both Frederick Soddy and Nicholas Georgescu-Roegen discussed the relationship between entropy and economics. Soddy called for an index system to regulate the money supply and a reform of the fractional reserve banking system, while Georgescu-Roegen pointed to the need for Ecological Economics, a steady-state economy, and population stabilization. As we reach the end of the fossil fuel era and as industrial growth falters, massive unemployment can only be avoided by responsible governmental action. The necessary steps include shifting labor to projects needed for a sustainable economy, dividing the available work fairly among those seeking employment, and reforming the practices of the financial sector.
International Nuclear Information System (INIS)
Steinmeyer, D.
1992-01-01
When we talk about saving energy what we usually mean is not wasting work. What we try to do when we design a process, is to use work as effectively as possible. It's hard to do that if we can't see it clearly. This paper illustrates how work can be seen (or calculated) without imposing entropy as a screen in front of it. We've all heard that the second law tells us that the entropy of the universe is increasing, and we are left with the feeling that the universe is ultimately headed for chaos, but receive little other information from this statement. A slightly more useful statement of the second law is the work potential of the universe is decreasing. However, this statement carries a needlessly negative ring. A simplified definition of the second law is: It takes work to change things. With these two corollaries: We can calculate the theoretical minimum work needed for a given change; and We can express the value of all changes in terms of work
Possible extended forms of thermodynamic entropy
International Nuclear Information System (INIS)
Sasa, Shin-ichi
2014-01-01
Thermodynamic entropy is determined by a heat measurement through the Clausius equality. The entropy then formalizes a fundamental limitation of operations by the second law of thermodynamics. The entropy is also expressed as the Shannon entropy of the microscopic degrees of freedom. Whenever an extension of thermodynamic entropy is attempted, we must pay special attention to how its three different aspects just mentioned are altered. In this paper, we discuss possible extensions of the thermodynamic entropy. (paper)
Connectivity in the human brain dissociates entropy and complexity of auditory inputs.
Nastase, Samuel A; Iacovella, Vittorio; Davis, Ben; Hasson, Uri
2015-03-01
Complex systems are described according to two central dimensions: (a) the randomness of their output, quantified via entropy; and (b) their complexity, which reflects the organization of a system's generators. Whereas some approaches hold that complexity can be reduced to uncertainty or entropy, an axiom of complexity science is that signals with very high or very low entropy are generated by relatively non-complex systems, while complex systems typically generate outputs with entropy peaking between these two extremes. In understanding their environment, individuals would benefit from coding for both input entropy and complexity; entropy indexes uncertainty and can inform probabilistic coding strategies, whereas complexity reflects a concise and abstract representation of the underlying environmental configuration, which can serve independent purposes, e.g., as a template for generalization and rapid comparisons between environments. Using functional neuroimaging, we demonstrate that, in response to passively processed auditory inputs, functional integration patterns in the human brain track both the entropy and complexity of the auditory signal. Connectivity between several brain regions scaled monotonically with input entropy, suggesting sensitivity to uncertainty, whereas connectivity between other regions tracked entropy in a convex manner consistent with sensitivity to input complexity. These findings suggest that the human brain simultaneously tracks the uncertainty of sensory data and effectively models their environmental generators. Copyright © 2014. Published by Elsevier Inc.
Thermostatistical aspects of generalized entropies
International Nuclear Information System (INIS)
Fa, K.S.; Lenzi, E.K.
2004-01-01
We investigate the properties concerning a class of generalized entropies given by S q,r =k{1-[Σ i p i q ] r }/[r(q-1)] which include Tsallis' entropy (r=1), the usual Boltzmann-Gibbs entropy (q=1), Renyi's entropy (r=0) and normalized Tsallis' entropy (r=-1). In order to obtain the generalized thermodynamic relations we use the laws of thermodynamics and considering the hypothesis that the joint probability of two independent systems is given by p ij A c upB =p i A p j B . We show that the transmutation which occurs from Tsallis' entropy to Renyi's entropy also occur with S q,r . In this scenario, we also analyze the generalized variance, covariance and correlation coefficient of a non-interacting system by using extended optimal Lagrange multiplier approach. We show that the correlation coefficient tends to zero in the thermodynamic limit. However, Renyi's entropy related to this non-interacting system presents a certain degree of non-extensivity
Entropy statistics and information theory
Frenken, K.; Hanusch, H.; Pyka, A.
2007-01-01
Entropy measures provide important tools to indicate variety in distributions at particular moments in time (e.g., market shares) and to analyse evolutionary processes over time (e.g., technical change). Importantly, entropy statistics are suitable to decomposition analysis, which renders the
Black brane entropy and hydrodynamics
Booth, I.; Heller, M.P.; Spaliński, M.
2010-01-01
A generalization of entropy to near-equilibrium phenomena is provided by the notion of a hydrodynamic entropy current. Recent advances in holography have lead to the formulation of fluid-gravity duality, a remarkable connection between the hydrodynamics of certain strongly coupled media and dynamics
Black brane entropy and hydrodynamics
Booth, I.; Heller, M.P.; Spaliński, M.
2011-01-01
A generalization of entropy to near-equilibrium phenomena is provided by the notion of a hydrodynamic entropy current. Recent advances in holography have lead to the formulation of fluid-gravity duality, a remarkable connection between the hydrodynamics of certain strongly coupled media and dynamics
High Entropy Random Selection Protocols
H. Buhrman (Harry); M. Christandl (Matthias); M. Koucky (Michal); Z. Lotker (Zvi); B. Patt-Shamir; M. Charikar; K. Jansen; O. Reingold; J. Rolim
2007-01-01
textabstractIn this paper, we construct protocols for two parties that do not trust each other, to generate random variables with high Shannon entropy. We improve known bounds for the trade off between the number of rounds, length of communication and the entropy of the outcome.
On the Possibility of Calculating Entropy, Free Energy, and Enthalpy of Vitreous Substances
Directory of Open Access Journals (Sweden)
Sergei V. Nemilov
2018-03-01
Full Text Available A critical analysis for the arguments in support of, and against, the traditional approach to thermodynamics of vitreous state is provided. In this approach one presumes that there is a continuous variation of the entropy in the glass-liquid transition temperature range, or a “continuous entropy approach” towards 0 K which produces a positive value of the entropy at T → 0 K. I find that arguments given against this traditional approach use a different understanding of the thermodynamics of glass transition on cooling a liquid, because it suggests a discontinuity or “entropy loss approach” in the variation of entropy in the glass-liquid transition range. That is based on: (1 an unjustifiable use of the classical Boltzmann statistics for interpreting the value of entropy at absolute zero; (2 the rejection of thermodynamic analysis of systems with broken ergodicity, even though the possibility of analogous analysis was proposed already by Gibbs; (3 the possibility of a finite change in entropy of a system without absorption or release of heat; and, (4 describing the thermodynamic properties of glasses in the framework of functions, instead of functionals. The last one is necessary because for glasses the entropy and enthalpy are not functions of the state, but functionals, as defined by Gibbs’ in his classification.
Entropy and equilibrium via games of complexity
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.
Entropy inequalities from reflection positivity
International Nuclear Information System (INIS)
Casini, H
2010-01-01
We investigate the question of whether the entropy and the Renyi entropies of the vacuum state reduced to a region of space can be represented in terms of correlators in quantum field theory. In this case, the positivity relations for the correlators are mapped into inequalities for the entropies. We write them using a real-time version of reflection positivity, which can be generalized to general quantum systems. Using this generalization we can prove an infinite sequence of inequalities which are obeyed by the Renyi entropies of integer index. There is one independent inequality involving any number of different subsystems. In quantum field theory the inequalities acquire a simple geometrical form and are consistent with the integer index Renyi entropies being given by vacuum expectation values of twisting operators in the Euclidean formulation. Several possible generalizations and specific examples are analyzed
Entropy Budget for Hawking Evaporation
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Ana Alonso-Serrano
2017-07-01
Full Text Available Blackbody radiation, emitted from a furnace and described by a Planck spectrum, contains (on average an entropy of 3 . 9 ± 2 . 5 bits per photon. Since normal physical burning is a unitary process, this amount of entropy is compensated by the same amount of “hidden information” in correlations between the photons. The importance of this result lies in the posterior extension of this argument to the Hawking radiation from black holes, demonstrating that the assumption of unitarity leads to a perfectly reasonable entropy/information budget for the evaporation process. In order to carry out this calculation, we adopt a variant of the “average subsystem” approach, but consider a tripartite pure system that includes the influence of the rest of the universe, and which allows “young” black holes to still have a non-zero entropy; which we identify with the standard Bekenstein entropy.
The existence of negative absolute temperatures in Axelrod’s social influence model
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.
International Nuclear Information System (INIS)
Giangaspero, Giorgio; Sciubba, Enrico
2013-01-01
This paper presents an application of the entropy generation minimization method to the pseudo-optimization of the configuration of the heat exchange surfaces in a Solar Rooftile. An initial “standard” commercial configuration is gradually improved by introducing design changes aimed at the reduction of the thermodynamic losses due to heat transfer and fluid friction. Different geometries (pins, fins and others) are analysed with a commercial CFD (Computational Fluid Dynamics) code that also computes the local entropy generation rate. The design improvement process is carried out on the basis of a careful analysis of the local entropy generation maps and the rationale behind each step of the process is discussed in this perspective. The results are compared with other entropy generation minimization techniques available in the recent technical literature. It is found that the geometry with pin-fins has the best performance among the tested ones, and that the optimal pin array shape parameters (pitch and span) can be determined by a critical analysis of the integrated and local entropy maps and of the temperature contours. - Highlights: ► An entropy generation minimization method is applied to a solar heat exchanger. ► The approach is heuristic and leads to a pseudo-optimization process with CFD as main tool. ► The process is based on the evaluation of the local entropy generation maps. ► The geometry with pin-fins in general outperforms all other configurations. ► The entropy maps and temperature contours can be used to determine the optimal pin array design parameters
Tsallis-like entropies in quantum scattering
International Nuclear Information System (INIS)
Ion, D.B.; Ion, M.L.
1998-01-01
In this work, the following entropies in quantum scattering are defined: the informational angular entropy, S θ ; Tsallis-like angular entropies, S q (θ); the angular momentum entropy, S L ; the Tsallis-like angular momentum entropies, S q (L); the angle-angular momentum entropy, S θL . These entropies are defined as natural measures of the uncertainties corresponding to the distribution probabilities. If we are interested in obtaining a measure of uncertainty of the simultaneous realization of the probability distributions, than, we have to calculate the entropy corresponding to these distributions. The expression of angle-angular momentum entropy is given. The relation between the Tsallis entropies and the angle-angular momentum entropy is derived
Introduction to maximum entropy
International Nuclear Information System (INIS)
Sivia, D.S.
1988-01-01
The maximum entropy (MaxEnt) principle has been successfully used in image reconstruction in a wide variety of fields. We review the need for such methods in data analysis and show, by use of a very simple example, why MaxEnt is to be preferred over other regularizing functions. This leads to a more general interpretation of the MaxEnt method, and its use is illustrated with several different examples. Practical difficulties with non-linear problems still remain, this being highlighted by the notorious phase problem in crystallography. We conclude with an example from neutron scattering, using data from a filter difference spectrometer to contrast MaxEnt with a conventional deconvolution. 12 refs., 8 figs., 1 tab
Introduction to maximum entropy
International Nuclear Information System (INIS)
Sivia, D.S.
1989-01-01
The maximum entropy (MaxEnt) principle has been successfully used in image reconstruction in a wide variety of fields. The author reviews the need for such methods in data analysis and shows, by use of a very simple example, why MaxEnt is to be preferred over other regularizing functions. This leads to a more general interpretation of the MaxEnt method, and its use is illustrated with several different examples. Practical difficulties with non-linear problems still remain, this being highlighted by the notorious phase problem in crystallography. He concludes with an example from neutron scattering, using data from a filter difference spectrometer to contrast MaxEnt with a conventional deconvolution. 12 refs., 8 figs., 1 tab
International Nuclear Information System (INIS)
Kandrup, H.E.
1988-01-01
The notion of a p-particle entropy Sp introduced by Kandrup (1987) is applied here to a Newtonian cosmology modeled as an expanding system of identical point masses studying the time dependence of S1 and S2 in the framework of the linearized theory considered by Fall and Saslaw (1976). It is found that if, at some initial time t0, the galaxy-galaxy correlation function vanished, then S1(t0) = S2(t0). At least for short times t - t0 thereafter, S1 and Delta S = S1 - S2 increase on a characteristic time scale. For all times t after t0, S1(t) = S2(t) or greater. 13 references
Absolute flux scale for radioastronomy
International Nuclear Information System (INIS)
Ivanov, V.P.; Stankevich, K.S.
1986-01-01
The authors propose and provide support for a new absolute flux scale for radio astronomy, which is not encumbered with the inadequacies of the previous scales. In constructing it the method of relative spectra was used (a powerful tool for choosing reference spectra). A review is given of previous flux scales. The authors compare the AIS scale with the scale they propose. Both scales are based on absolute measurements by the ''artificial moon'' method, and they are practically coincident in the range from 0.96 to 6 GHz. At frequencies above 6 GHz, 0.96 GHz, the AIS scale is overestimated because of incorrect extrapolation of the spectra of the primary and secondary standards. The major results which have emerged from this review of absolute scales in radio astronomy are summarized
Design of high entropy alloys based on the experience from commercial superalloys
Wang, Z.; Huang, Y.; Wang, J.; Liu, C. T.
2015-01-01
High entropy alloys (HEAs) have been drawing increasing attention recently and gratifying results have been obtained. However, the existing metallurgic rules of HEAs could not provide specific information of selecting candidate alloys for structural applications. Our brief survey reveals that many commercial superalloys have medium and even to high configurational entropies. The experience of commercial superalloys provides a clue for helping us in the development of HEAs for structural applications.
Bubble Entropy: An Entropy Almost Free of Parameters.
Manis, George; Aktaruzzaman, Md; Sassi, Roberto
2017-11-01
Objective : A critical point in any definition of entropy is the selection of the parameters employed to obtain an estimate in practice. We propose a new definition of entropy aiming to reduce the significance of this selection. Methods: We call the new definition Bubble Entropy . Bubble Entropy is based on permutation entropy, where the vectors in the embedding space are ranked. We use the bubble sort algorithm for the ordering procedure and count instead the number of swaps performed for each vector. Doing so, we create a more coarse-grained distribution and then compute the entropy of this distribution. Results: Experimental results with both real and synthetic HRV signals showed that bubble entropy presents remarkable stability and exhibits increased descriptive and discriminating power compared to all other definitions, including the most popular ones. Conclusion: The definition proposed is almost free of parameters. The most common ones are the scale factor r and the embedding dimension m . In our definition, the scale factor is totally eliminated and the importance of m is significantly reduced. The proposed method presents increased stability and discriminating power. Significance: After the extensive use of some entropy measures in physiological signals, typical values for their parameters have been suggested, or at least, widely used. However, the parameters are still there, application and dataset dependent, influencing the computed value and affecting the descriptive power. Reducing their significance or eliminating them alleviates the problem, decoupling the method from the data and the application, and eliminating subjective factors. Objective : A critical point in any definition of entropy is the selection of the parameters employed to obtain an estimate in practice. We propose a new definition of entropy aiming to reduce the significance of this selection. Methods: We call the new definition Bubble Entropy . Bubble Entropy is based on permutation
The concept of entropy. Relation between action and entropy
Directory of Open Access Journals (Sweden)
J.-P.Badiali
2005-01-01
Full Text Available The Boltzmann expression for entropy represents the traditional link between thermodynamics and statistical mechanics. New theoretical developments like the Unruh effect or the black hole theory suggest a new definition of entropy. In this paper we consider the thermodynamics of black holes as seriously founded and we try to see what we can learn from it in the case of ordinary systems for which a pre-relativistic description is sufficient. We introduce a space-time model and a new definition of entropy considering the thermal equilibrium from a dynamic point of view. Then we show that for black hole and ordinary systems we have the same relation relating a change of entropy to a change of action.
Zero modes and entanglement entropy
Energy Technology Data Exchange (ETDEWEB)
Yazdi, Yasaman K. [Perimeter Institute for Theoretical Physics,31 Caroline St. N., Waterloo, ON, N2L 2Y5 (Canada); Department of Physics and Astronomy, University of Waterloo,200 University Avenue West, Waterloo, ON, N2L 3G1 (Canada)
2017-04-26
Ultraviolet divergences are widely discussed in studies of entanglement entropy. Also present, but much less understood, are infrared divergences due to zero modes in the field theory. In this note, we discuss the importance of carefully handling zero modes in entanglement entropy. We give an explicit example for a chain of harmonic oscillators in 1D, where a mass regulator is necessary to avoid an infrared divergence due to a zero mode. We also comment on a surprising contribution of the zero mode to the UV-scaling of the entanglement entropy.
Shannon's information is not entropy
International Nuclear Information System (INIS)
Schiffer, M.
1990-01-01
In this letter we clear up the long-standing misidentification of Shannon's Information with Entropy. We show that Information, in contrast to Entropy, is not invariant under unitary transformations and that these quantities are only equivalent for representations consisting of Hamiltonian eigenstates. We illustrate this fact through a toy system consisting of a harmonic oscillator in a coherent state. It is further proved that the representations which maximize the information are those which are energy-eigenstates. This fact sets the entropy as an upper bound for Shannon's Information. (author)
Entropy Learning in Neural Network
Directory of Open Access Journals (Sweden)
Geok See Ng
2017-12-01
Full Text Available In this paper, entropy term is used in the learning phase of a neural network. As learning progresses, more hidden nodes get into saturation. The early creation of such hidden nodes may impair generalisation. Hence entropy approach is proposed to dampen the early creation of such nodes. The entropy learning also helps to increase the importance of relevant nodes while dampening the less important nodes. At the end of learning, the less important nodes can then be eliminated to reduce the memory requirements of the neural network.
Testing the mutual information expansion of entropy with multivariate Gaussian distributions.
Goethe, Martin; Fita, Ignacio; Rubi, J Miguel
2017-12-14
The mutual information expansion (MIE) represents an approximation of the configurational entropy in terms of low-dimensional integrals. It is frequently employed to compute entropies from simulation data of large systems, such as macromolecules, for which brute-force evaluation of the full configurational integral is intractable. Here, we test the validity of MIE for systems consisting of more than m = 100 degrees of freedom (dofs). The dofs are distributed according to multivariate Gaussian distributions which were generated from protein structures using a variant of the anisotropic network model. For the Gaussian distributions, we have semi-analytical access to the configurational entropy as well as to all contributions of MIE. This allows us to accurately assess the validity of MIE for different situations. We find that MIE diverges for systems containing long-range correlations which means that the error of consecutive MIE approximations grows with the truncation order n for all tractable n ≪ m. This fact implies severe limitations on the applicability of MIE, which are discussed in the article. For systems with correlations that decay exponentially with distance, MIE represents an asymptotic expansion of entropy, where the first successive MIE approximations approach the exact entropy, while MIE also diverges for larger orders. In this case, MIE serves as a useful entropy expansion when truncated up to a specific truncation order which depends on the correlation length of the system.
Relativistic Absolutism in Moral Education.
Vogt, W. Paul
1982-01-01
Discusses Emile Durkheim's "Moral Education: A Study in the Theory and Application of the Sociology of Education," which holds that morally healthy societies may vary in culture and organization but must possess absolute rules of moral behavior. Compares this moral theory with current theory and practice of American educators. (MJL)
Forcing absoluteness and regularity properties
Ikegami, D.
2010-01-01
For a large natural class of forcing notions, we prove general equivalence theorems between forcing absoluteness statements, regularity properties, and transcendence properties over L and the core model K. We use our results to answer open questions from set theory of the reals.
Some absolutely effective product methods
Directory of Open Access Journals (Sweden)
H. P. Dikshit
1992-01-01
Full Text Available It is proved that the product method A(C,1, where (C,1 is the Cesàro arithmetic mean matrix, is totally effective under certain conditions concerning the matrix A. This general result is applied to study absolute Nörlund summability of Fourier series and other related series.
DEFF Research Database (Denmark)
Müller-Lennert, Martin; Dupont-Dupuis, Fréderic; Szehr, Oleg
2013-01-01
The Rényi entropies constitute a family of information measures that generalizes the well-known Shannon entropy, inheriting many of its properties. They appear in the form of unconditional and conditional entropies, relative entropies, or mutual information, and have found many applications in in...
Dynamical entropy for infinite quantum systems
International Nuclear Information System (INIS)
Hudetz, T.
1990-01-01
We review the recent physical application of the so-called Connes-Narnhofer-Thirring entropy, which is the successful quantum mechanical generalization of the classical Kolmogorov-Sinai entropy and, by its very conception, is a dynamical entropy for infinite quantum systems. We thus comparingly review also the physical applications of the classical dynamical entropy for infinite classical systems. 41 refs. (Author)
Frenetic Bounds on the Entropy Production
Maes, Christian
2017-10-01
We give a systematic derivation of positive lower bounds for the expected entropy production (EP) rate in classical statistical mechanical systems obeying a dynamical large deviation principle. The logic is the same for the return to thermodynamic equilibrium as it is for steady nonequilibria working under the condition of local detailed balance. We recover there recently studied "uncertainty" relations for the EP, appearing in studies about the effectiveness of mesoscopic machines. In general our refinement of the positivity of the expected EP rate is obtained in terms of a positive and even function of the expected current(s) which measures the dynamical activity in the system, a time-symmetric estimate of the changes in the system's configuration. Also underdamped diffusions can be included in the analysis.
Phase transitions and quantum entropy
International Nuclear Information System (INIS)
Arrachea, L.; Canosa, N.; Plastino, A.; Portesi, M.; Rossignoli, R.
1990-01-01
An examination is made of the possibility to predict phase transitions of the fundamental state of finite quantum system, knowing the quantum entropy of these states, defined on the basis of the information theory. (Author). 7 refs., 3 figs
Renyi entropy and conformal defects
Energy Technology Data Exchange (ETDEWEB)
Bianchi, Lorenzo [Humboldt-Univ. Berlin (Germany). Inst. fuer Physik; Hamburg Univ. (Germany). II. Inst. fuer Theoretische Physik; Meineri, Marco [Scuola Normale Superiore, Pisa (Italy); Perimeter Institute for Theoretical Physics, Waterloo, ON (Canada); Istituto Nazionale di Fisica Nucleare, Pisa (Italy); Myers, Robert C. [Perimeter Institute for Theoretical Physics, Waterloo, ON (Canada); Smolkin, Michael [California Univ., Berkely, CA (United States). Center for Theoretical Physics and Department of Physics
2016-04-18
We propose a field theoretic framework for calculating the dependence of Renyi entropies on the shape of the entangling surface in a conformal field theory. Our approach rests on regarding the corresponding twist operator as a conformal defect and in particular, we define the displacement operator which implements small local deformations of the entangling surface. We identify a simple constraint between the coefficient defining the two-point function of the displacement operator and the conformal weight of the twist operator, which consolidates a number of distinct conjectures on the shape dependence of the Renyi entropy. As an example, using this approach, we examine a conjecture regarding the universal coefficient associated with a conical singularity in the entangling surface for CFTs in any number of spacetime dimensions. We also provide a general formula for the second order variation of the Renyi entropy arising from small deformations of a spherical entangling surface, extending Mezei's results for the entanglement entropy.
Quantum entropy and special relativity.
Peres, Asher; Scudo, Petra F; Terno, Daniel R
2002-06-10
We consider a single free spin- 1 / 2 particle. The reduced density matrix for its spin is not covariant under Lorentz transformations. The spin entropy is not a relativistic scalar and has no invariant meaning.
Renyi entropy and conformal defects
International Nuclear Information System (INIS)
Bianchi, Lorenzo; Myers, Robert C.; Smolkin, Michael
2016-01-01
We propose a field theoretic framework for calculating the dependence of Renyi entropies on the shape of the entangling surface in a conformal field theory. Our approach rests on regarding the corresponding twist operator as a conformal defect and in particular, we define the displacement operator which implements small local deformations of the entangling surface. We identify a simple constraint between the coefficient defining the two-point function of the displacement operator and the conformal weight of the twist operator, which consolidates a number of distinct conjectures on the shape dependence of the Renyi entropy. As an example, using this approach, we examine a conjecture regarding the universal coefficient associated with a conical singularity in the entangling surface for CFTs in any number of spacetime dimensions. We also provide a general formula for the second order variation of the Renyi entropy arising from small deformations of a spherical entangling surface, extending Mezei's results for the entanglement entropy.
Software configuration management
International Nuclear Information System (INIS)
Arribas Peces, E.; Martin Faraldo, P.
1993-01-01
Software Configuration Management is directed towards identifying system configuration at specific points of its life cycle, so as to control changes to the configuration and to maintain the integrity and traceability of the configuration throughout its life. SCM functions and tasks are presented in the paper
Two aspects of black hole entropy in Lanczos-Lovelock models of gravity
Kolekar, Sanved; Kothawala, Dawood; Padmanabhan, T.
2012-03-01
We consider two specific approaches to evaluate the black hole entropy which are known to produce correct results in the case of Einstein’s theory and generalize them to Lanczos-Lovelock models. In the first approach (which could be called extrinsic), we use a procedure motivated by earlier work by Pretorius, Vollick, and Israel, and by Oppenheim, and evaluate the entropy of a configuration of densely packed gravitating shells on the verge of forming a black hole in Lanczos-Lovelock theories of gravity. We find that this matter entropy is not equal to (it is less than) Wald entropy, except in the case of Einstein theory, where they are equal. The matter entropy is proportional to the Wald entropy if we consider a specific mth-order Lanczos-Lovelock model, with the proportionality constant depending on the spacetime dimensions D and the order m of the Lanczos-Lovelock theory as (D-2m)/(D-2). Since the proportionality constant depends on m, the proportionality between matter entropy and Wald entropy breaks down when we consider a sum of Lanczos-Lovelock actions involving different m. In the second approach (which could be called intrinsic), we generalize a procedure, previously introduced by Padmanabhan in the context of general relativity, to study off-shell entropy of a class of metrics with horizon using a path integral method. We consider the Euclidean action of Lanczos-Lovelock models for a class of metrics off shell and interpret it as a partition function. We show that in the case of spherically symmetric metrics, one can interpret the Euclidean action as the free energy and read off both the entropy and energy of a black hole spacetime. Surprisingly enough, this leads to exactly the Wald entropy and the energy of the spacetime in Lanczos-Lovelock models obtained by other methods. We comment on possible implications of the result.
Conceptualizing Embedded Configuration
DEFF Research Database (Denmark)
Oddsson, Gudmundur Valur; Hvam, Lars; Lysgaard, Ole
2006-01-01
and services. The general idea can be named embedded configuration. In this article we intend to conceptualize embedded configuration, what it is and is not. The difference between embedded configuration, sales configuration and embedded software is explained. We will look at what is needed to make embedded...... configuration systems. That will include requirements to product modelling techniques. An example with consumer electronics will illuminate the elements of embedded configuration in settings that most can relate to. The question of where embedded configuration would be relevant is discussed, and the current...
Algorithmic randomness and physical entropy
International Nuclear Information System (INIS)
Zurek, W.H.
1989-01-01
Algorithmic randomness provides a rigorous, entropylike measure of disorder of an individual, microscopic, definite state of a physical system. It is defined by the size (in binary digits) of the shortest message specifying the microstate uniquely up to the assumed resolution. Equivalently, algorithmic randomness can be expressed as the number of bits in the smallest program for a universal computer that can reproduce the state in question (for instance, by plotting it with the assumed accuracy). In contrast to the traditional definitions of entropy, algorithmic randomness can be used to measure disorder without any recourse to probabilities. Algorithmic randomness is typically very difficult to calculate exactly but relatively easy to estimate. In large systems, probabilistic ensemble definitions of entropy (e.g., coarse-grained entropy of Gibbs and Boltzmann's entropy H=lnW, as well as Shannon's information-theoretic entropy) provide accurate estimates of the algorithmic entropy of an individual system or its average value for an ensemble. One is thus able to rederive much of thermodynamics and statistical mechanics in a setting very different from the usual. Physical entropy, I suggest, is a sum of (i) the missing information measured by Shannon's formula and (ii) of the algorithmic information content---algorithmic randomness---present in the available data about the system. This definition of entropy is essential in describing the operation of thermodynamic engines from the viewpoint of information gathering and using systems. These Maxwell demon-type entities are capable of acquiring and processing information and therefore can ''decide'' on the basis of the results of their measurements and computations the best strategy for extracting energy from their surroundings. From their internal point of view the outcome of each measurement is definite
Applications of Entropy in Finance: A Review
Directory of Open Access Journals (Sweden)
Guanqun Tong
2013-11-01
Full Text Available Although the concept of entropy is originated from thermodynamics, its concepts and relevant principles, especially the principles of maximum entropy and minimum cross-entropy, have been extensively applied in finance. In this paper, we review the concepts and principles of entropy, as well as their applications in the field of finance, especially in portfolio selection and asset pricing. Furthermore, we review the effects of the applications of entropy and compare them with other traditional and new methods.
Spontaneous entropy decrease and its statistical formula
Xing, Xiu-San
2007-01-01
Why can the world resist the law of entropy increase and produce self-organizing structure? Does the entropy of an isolated system always only increase and never decrease? Can be thermodymamic degradation and self-organizing evolution united? How to unite? In this paper starting out from nonequilibrium entropy evolution equation we proved that a new entropy decrease could spontaneously emerge in nonequilibrium system with internal attractive interaction. This new entropy decrease coexists wit...
Mixing, entropy and competition
International Nuclear Information System (INIS)
Klimenko, A Y
2012-01-01
Non-traditional thermodynamics, applied to random behaviour associated with turbulence, mixing and competition, is reviewed and analysed. Competitive mixing represents a general framework for the study of generic properties of competitive systems and can be used to model a wide class of non-equilibrium phenomena ranging from turbulent premixed flames and invasion waves to complex competitive systems. We demonstrate consistency of the general principles of competition with thermodynamic description, review and analyse the related entropy concepts and introduce the corresponding competitive H-theorem. A competitive system can be characterized by a thermodynamic quantity—competitive potential—which determines the likely direction of evolution of the system. Contested resources tend to move between systems from lower to higher values of the competitive potential. There is, however, an important difference between conventional thermodynamics and competitive thermodynamics. While conventional thermodynamics is constrained by its zeroth law and is fundamentally transitive, the transitivity of competitive thermodynamics depends on the transitivity of the competition rules. Intransitivities are common in the real world and are responsible for complex behaviour in competitive systems. This work follows ideas and methods that have originated from the analysis of turbulent combustion, but reviews a much broader scope of issues linked to mixing and competition, including thermodynamic characterization of complex competitive systems with self-organization. The approach presented here is interdisciplinary and is addressed to the general educated readers, whereas the mathematical details can be found in the appendices. (comment)
Glass Transition, Crystallization of Glass-Forming Melts, and Entropy
Directory of Open Access Journals (Sweden)
Jürn W. P. Schmelzer
2018-02-01
Full Text Available A critical analysis of possible (including some newly proposed definitions of the vitreous state and the glass transition is performed and an overview of kinetic criteria of vitrification is presented. On the basis of these results, recent controversial discussions on the possible values of the residual entropy of glasses are reviewed. Our conclusion is that the treatment of vitrification as a process of continuously breaking ergodicity with entropy loss and a residual entropy tending to zero in the limit of zero absolute temperature is in disagreement with the absolute majority of experimental and theoretical investigations of this process and the nature of the vitreous state. This conclusion is illustrated by model computations. In addition to the main conclusion derived from these computations, they are employed as a test for several suggestions concerning the behavior of thermodynamic coefficients in the glass transition range. Further, a brief review is given on possible ways of resolving the Kauzmann paradox and its implications with respect to the validity of the third law of thermodynamics. It is shown that neither in its primary formulations nor in its consequences does the Kauzmann paradox result in contradictions with any basic laws of nature. Such contradictions are excluded by either crystallization (not associated with a pseudospinodal as suggested by Kauzmann or a conventional (and not an ideal glass transition. Some further so far widely unexplored directions of research on the interplay between crystallization and glass transition are anticipated, in which entropy may play—beyond the topics widely discussed and reviewed here—a major role.
Moral absolutism and ectopic pregnancy.
Kaczor, C
2001-02-01
If one accepts a version of absolutism that excludes the intentional killing of any innocent human person from conception to natural death, ectopic pregnancy poses vexing difficulties. Given that the embryonic life almost certainly will die anyway, how can one retain one's moral principle and yet adequately respond to a situation that gravely threatens the life of the mother and her future fertility? The four options of treatment most often discussed in the literature are non-intervention, salpingectomy (removal of tube with embryo), salpingostomy (removal of embryo alone), and use of methotrexate (MXT). In this essay, I review these four options and introduce a fifth (the milking technique). In order to assess these options in terms of the absolutism mentioned, it will also be necessary to discuss various accounts of the intention/foresight distinction. I conclude that salpingectomy, salpingostomy, and the milking technique are compatible with absolutist presuppositions, but not the use of methotrexate.
Absolute magnitudes by statistical parallaxes
International Nuclear Information System (INIS)
Heck, A.
1978-01-01
The author describes an algorithm for stellar luminosity calibrations (based on the principle of maximum likelihood) which allows the calibration of relations of the type: Msub(i)=sup(N)sub(j=1)Σqsub(j)Csub(ij), i=1,...,n, where n is the size of the sample at hand, Msub(i) are the individual absolute magnitudes, Csub(ij) are observational quantities (j=1,...,N), and qsub(j) are the coefficients to be determined. If one puts N=1 and Csub(iN)=1, one has q 1 =M(mean), the mean absolute magnitude of the sample. As additional output, the algorithm provides one also with the dispersion in magnitude of the sample sigmasub(M), the mean solar motion (U,V,W) and the corresponding velocity ellipsoid (sigmasub(u), sigmasub(v), sigmasub(w). The use of this algorithm is illustrated. (Auth.)
Absolute gravity measurements in California
Zumberge, M. A.; Sasagawa, G.; Kappus, M.
1986-08-01
An absolute gravity meter that determines the local gravitational acceleration by timing a freely falling mass with a laser interferometer has been constructed. The instrument has made measurements at 11 sites in California, four in Nevada, and one in France. The uncertainty in the results is typically 10 microgal. Repeated measurements have been made at several of the sites; only one shows a substantial change in gravity.
The Absolute Immanence in Deleuze
Park, Daeseung
2013-01-01
The absolute immanence in Deleuze Daeseung Park Abstract The plane of immanence is not unique. Deleuze and Guattari suppose a multiplicity of planes. Each great philosopher draws new planes on his own way, and these planes constitute the "time of philosophy". We can, therefore, "present the entire history of philosophy from the viewpoint of the institution of a plane of immanence" or present the time of philosophy from the viewpoint of the superposition and of the coexistence of planes. Howev...
Absolute GPS Positioning Using Genetic Algorithms
Ramillien, G.
A new inverse approach for restoring the absolute coordinates of a ground -based station from three or four observed GPS pseudo-ranges is proposed. This stochastic method is based on simulations of natural evolution named genetic algorithms (GA). These iterative procedures provide fairly good and robust estimates of the absolute positions in the Earth's geocentric reference system. For comparison/validation, GA results are compared to the ones obtained using the classical linearized least-square scheme for the determination of the XYZ location proposed by Bancroft (1985) which is strongly limited by the number of available observations (i.e. here, the number of input pseudo-ranges must be four). The r.m.s. accuracy of the non -linear cost function reached by this latter method is typically ~10-4 m2 corresponding to ~300-500-m accuracies for each geocentric coordinate. However, GA can provide more acceptable solutions (r.m.s. errors < 10-5 m2), even when only three instantaneous pseudo-ranges are used, such as a lost of lock during a GPS survey. Tuned GA parameters used in different simulations are N=1000 starting individuals, as well as Pc=60-70% and Pm=30-40% for the crossover probability and mutation rate, respectively. Statistical tests on the ability of GA to recover acceptable coordinates in presence of important levels of noise are made simulating nearly 3000 random samples of erroneous pseudo-ranges. Here, two main sources of measurement errors are considered in the inversion: (1) typical satellite-clock errors and/or 300-metre variance atmospheric delays, and (2) Geometrical Dilution of Precision (GDOP) due to the particular GPS satellite configuration at the time of acquisition. Extracting valuable information and even from low-quality starting range observations, GA offer an interesting alternative for high -precision GPS positioning.
Inhomogeneity of epidemic spreading with entropy-based infected clusters.
Wen-Jie, Zhou; Xing-Yuan, Wang
2013-12-01
Considering the difference in the sizes of the infected clusters in the dynamic complex networks, the normalized entropy based on infected clusters (δ*) is proposed to characterize the inhomogeneity of epidemic spreading. δ* gives information on the variability of the infected clusters in the system. We investigate the variation in the inhomogeneity of the distribution of the epidemic with the absolute velocity v of moving agent, the infection density ρ, and the interaction radius r. By comparing δ* in the dynamic networks with δH* in homogeneous mode, the simulation experiments show that the inhomogeneity of epidemic spreading becomes smaller with the increase of v, ρ, r.
Quantum key distribution with finite resources: Smooth Min entropy vs. Smooth Renyi entropy
Energy Technology Data Exchange (ETDEWEB)
Mertz, Markus; Abruzzo, Silvestre; Bratzik, Sylvia; Kampermann, Hermann; Bruss, Dagmar [Institut fuer Theoretische Physik III, Duesseldorf (Germany)
2010-07-01
We consider different entropy measures that play an important role in the analysis of the security of QKD with finite resources. The smooth min entropy leads to an optimal bound for the length of a secure key. Another bound on the secure key length was derived by using Renyi entropies. Unfortunately, it is very hard or even impossible to calculate these entropies for realistic QKD scenarios. To estimate the security rate it becomes important to find computable bounds on these entropies. Here, we compare a lower bound for the smooth min entropy with a bound using Renyi entropies. We compare these entropies for the six-state protocol with symmetric attacks.
Maximum Entropy in Drug Discovery
Directory of Open Access Journals (Sweden)
Chih-Yuan Tseng
2014-07-01
Full Text Available Drug discovery applies multidisciplinary approaches either experimentally, computationally or both ways to identify lead compounds to treat various diseases. While conventional approaches have yielded many US Food and Drug Administration (FDA-approved drugs, researchers continue investigating and designing better approaches to increase the success rate in the discovery process. In this article, we provide an overview of the current strategies and point out where and how the method of maximum entropy has been introduced in this area. The maximum entropy principle has its root in thermodynamics, yet since Jaynes’ pioneering work in the 1950s, the maximum entropy principle has not only been used as a physics law, but also as a reasoning tool that allows us to process information in hand with the least bias. Its applicability in various disciplines has been abundantly demonstrated. We give several examples of applications of maximum entropy in different stages of drug discovery. Finally, we discuss a promising new direction in drug discovery that is likely to hinge on the ways of utilizing maximum entropy.
International Nuclear Information System (INIS)
Burgess, M.
1994-06-01
A high level description language is presented for the purpose of automatically configuring large heterogeneous networked unix environments, based on class-oriented abstractions. The configuration engine is portable and easily extensible
Entropy and optimality in river deltas
Tejedor, Alejandro; Longjas, Anthony; Edmonds, Douglas A.; Zaliapin, Ilya; Georgiou, Tryphon T.; Rinaldo, Andrea; Foufoula-Georgiou, Efi
2017-10-01
The form and function of river deltas is intricately linked to the evolving structure of their channel networks, which controls how effectively deltas are nourished with sediments and nutrients. Understanding the coevolution of deltaic channels and their flux organization is crucial for guiding maintenance strategies of these highly stressed systems from a range of anthropogenic activities. To date, however, a unified theory explaining how deltas self-organize to distribute water and sediment up to the shoreline remains elusive. Here, we provide evidence for an optimality principle underlying the self-organized partition of fluxes in delta channel networks. By introducing a suitable nonlocal entropy rate (nER) and by analyzing field and simulated deltas, we suggest that delta networks achieve configurations that maximize the diversity of water and sediment flux delivery to the shoreline. We thus suggest that prograding deltas attain dynamically accessible optima of flux distributions on their channel network topologies, thus effectively decoupling evolutionary time scales of geomorphology and hydrology. When interpreted in terms of delta resilience, high nER configurations reflect an increased ability to withstand perturbations. However, the distributive mechanism responsible for both diversifying flux delivery to the shoreline and dampening possible perturbations might lead to catastrophic events when those perturbations exceed certain intensity thresholds.
MICROCONTROLLER PIN CONFIGURATION TOOL
Bhaskar Joshi; F. Mohammed Rizwan; Dr. Rajashree Shettar
2012-01-01
Configuring the micro controller with large number of pins is tedious. Latest Infine on microcontroller contains more than 200 pins and each pin has classes of signals. Therefore the complexity of the microcontroller is growing. It evolves looking into thousands of pages of user manual. For a user it will take days to configure the microcontroller with the peripherals. We need an automated tool to configure the microcontroller so that the user can configure the microcontroller without having ...
Operational Dynamic Configuration Analysis
Lai, Chok Fung; Zelinski, Shannon
2010-01-01
Sectors may combine or split within areas of specialization in response to changing traffic patterns. This method of managing capacity and controller workload could be made more flexible by dynamically modifying sector boundaries. Much work has been done on methods for dynamically creating new sector boundaries [1-5]. Many assessments of dynamic configuration methods assume the current day baseline configuration remains fixed [6-7]. A challenging question is how to select a dynamic configuration baseline to assess potential benefits of proposed dynamic configuration concepts. Bloem used operational sector reconfigurations as a baseline [8]. The main difficulty is that operational reconfiguration data is noisy. Reconfigurations often occur frequently to accommodate staff training or breaks, or to complete a more complicated reconfiguration through a rapid sequence of simpler reconfigurations. Gupta quantified a few aspects of airspace boundary changes from this data [9]. Most of these metrics are unique to sector combining operations and not applicable to more flexible dynamic configuration concepts. To better understand what sort of reconfigurations are acceptable or beneficial, more configuration change metrics should be developed and their distribution in current practice should be computed. This paper proposes a method to select a simple sequence of configurations among operational configurations to serve as a dynamic configuration baseline for future dynamic configuration concept assessments. New configuration change metrics are applied to the operational data to establish current day thresholds for these metrics. These thresholds are then corroborated, refined, or dismissed based on airspace practitioner feedback. The dynamic configuration baseline selection method uses a k-means clustering algorithm to select the sequence of configurations and trigger times from a given day of operational sector combination data. The clustering algorithm selects a simplified
Android Apps for Absolute Beginners
Jackson, Wallace
2011-01-01
Anybody can start building simple apps for the Android platform, and this book will show you how! Android Apps for Absolute Beginners takes you through the process of getting your first Android applications up and running using plain English and practical examples. It cuts through the fog of jargon and mystery that surrounds Android application development, and gives you simple, step-by-step instructions to get you started.* Teaches Android application development in language anyone can understand, giving you the best possible start in Android development * Provides simple, step-by-step exampl
Lemons, Don S
2013-01-01
Striving to explore the subject in as simple a manner as possible, this book helps readers understand the elusive concept of entropy. Innovative aspects of the book include the construction of statistical entropy, the derivation of the entropy of classical systems from purely classical assumptions, and a statistical thermodynamics approach to the ideal Fermi and ideal Bose gases. Derivations are worked through step-by-step and important applications are highlighted in over 20 worked examples. Nearly 50 end-of-chapter exercises test readers' understanding. The book also features a glossary giving definitions for all essential terms, a time line showing important developments, and list of books for further study. It is an ideal supplement to undergraduate courses in physics, engineering, chemistry and mathematics.
Vernon, P E
1977-11-01
The auditory skill known as 'absolute pitch' is discussed, and it is shown that this differs greatly in accuracy of identification or reproduction of musical tones from ordinary discrimination of 'tonal height' which is to some extent trainable. The present writer possessed absolute pitch for almost any tone or chord over the normal musical range, from about the age of 17 to 52. He then started to hear all music one semitone too high, and now at the age of 71 it is heard a full tone above the true pitch. Tests were carried out under controlled conditions, in which 68 to 95 per cent of notes were identified as one semitone or one tone higher than they should be. Changes with ageing seem more likely to occur in the elasticity of the basilar membrane mechanisms than in the long-term memory which is used for aural analysis of complex sounds. Thus this experience supports the view that some resolution of complex sounds takes place at the peripheral sense organ, and this provides information which can be incorrect, for interpretation by the cortical centres.
International Nuclear Information System (INIS)
Baba, Hiroshi; Baba, Sumiko; Ichikawa, Shinichi; Sekine, Toshiaki; Ishikawa, Isamu
1981-08-01
A new method of the absolute measurement for 152 Eu was established based on the 4πβ-γ spectroscopic anti-coincidence method. It is a coincidence counting method consisting of a 4πβ-counter and a Ge(Li) γ-ray detector, in which the effective counting efficiencies of the 4πβ-counter for β-rays, conversion electrons, and Auger electrons were obtained by taking the intensity ratios for certain γ-rays between the single spectrum and the spectrum coincident with the pulses from the 4πβ-counter. First, in order to verify the method, three different methods of the absolute measurement were performed with a prepared 60 Co source to find excellent agreement among the results deduced by them. Next, the 4πβ-γ spectroscopic coincidence measurement was applied to 152 Eu sources prepared by irradiating an enriched 151 Eu target in a reactor. The result was compared with that obtained by the γ-ray spectrometry using a 152 Eu standard source supplied by LMRI. They agreed with each other within the error of 2%. (author)
Shannon entropy and particle decays
Carrasco Millán, Pedro; García-Ferrero, M. Ángeles; Llanes-Estrada, Felipe J.; Porras Riojano, Ana; Sánchez García, Esteban M.
2018-05-01
We deploy Shannon's information entropy to the distribution of branching fractions in a particle decay. This serves to quantify how important a given new reported decay channel is, from the point of view of the information that it adds to the already known ones. Because the entropy is additive, one can subdivide the set of channels and discuss, for example, how much information the discovery of a new decay branching would add; or subdivide the decay distribution down to the level of individual quantum states (which can be quickly counted by the phase space). We illustrate the concept with some examples of experimentally known particle decay distributions.
Text mining by Tsallis entropy
Jamaati, Maryam; Mehri, Ali
2018-01-01
Long-range correlations between the elements of natural languages enable them to convey very complex information. Complex structure of human language, as a manifestation of natural languages, motivates us to apply nonextensive statistical mechanics in text mining. Tsallis entropy appropriately ranks the terms' relevance to document subject, taking advantage of their spatial correlation length. We apply this statistical concept as a new powerful word ranking metric in order to extract keywords of a single document. We carry out an experimental evaluation, which shows capability of the presented method in keyword extraction. We find that, Tsallis entropy has reliable word ranking performance, at the same level of the best previous ranking methods.
Methods for calculating nonconcave entropies
International Nuclear Information System (INIS)
Touchette, Hugo
2010-01-01
Five different methods which can be used to analytically calculate entropies that are nonconcave as functions of the energy in the thermodynamic limit are discussed and compared. The five methods are based on the following ideas and techniques: (i) microcanonical contraction, (ii) metastable branches of the free energy, (iii) generalized canonical ensembles with specific illustrations involving the so-called Gaussian and Betrag ensembles, (iv) the restricted canonical ensemble, and (v) the inverse Laplace transform. A simple long-range spin model having a nonconcave entropy is used to illustrate each method
Nonlinear symmetries of black hole entropy in gauged supergravity
Energy Technology Data Exchange (ETDEWEB)
Klemm, Dietmar [Dipartimento di Fisica, Università di Milano,and INFN, Sezione di Milano,Via Celoria 16, I-20133 Milano (Italy); Marrani, Alessio [Museo Storico della Fisica e Centro Studi e Ricerche ‘Enrico Fermi’,Via Panisperna 89A, I-00184 Roma (Italy); Dipartimento di Fisica e Astronomia ‘Galileo Galilei’, Università di Padova,and INFN, Sezione di Padova,Via Marzolo 8, I-35131 Padova (Italy); Petri, Nicolò; Rabbiosi, Marco [Dipartimento di Fisica, Università di Milano,and INFN, Sezione di Milano,Via Celoria 16, I-20133 Milano (Italy)
2017-04-04
Freudenthal duality in N=2, D=4 ungauged supergravity is generated by an anti-involutive operator that acts on the electromagnetic fluxes, and results to be a symmetry of the Bekenstein-Hawking entropy. We show that, with a suitable extension, this duality can be generalized to the abelian gauged case as well, even in presence of hypermultiplets. By defining Freudenthal duality along the scalar flow, one can prove that two configurations of charges and gaugings linked by the Freudenthal operator share the same set of values of the scalar fields at the black hole horizon. Consequently, Freudenthal duality is promoted to a nonlinear symmetry of the black hole entropy. We explicitly show this invariance for the model with prepotential F=−iX{sup 0}X{sup 1} and Fayet-Iliopoulos gauging.
Ising model on tangled chain - 1: Free energy and entropy
International Nuclear Information System (INIS)
Mejdani, R.
1993-04-01
In this paper we have considered an Ising model defined on tangled chain, in which more bonds have been added to those of pure Ising chain. to understand their competition, particularly between ferromagnetic and antiferromagnetic bonds, we have studied, using the transfer matrix method, some simple analytical calculations and an iterative algorithm, the behaviour of the free energy and entropy, particularly in the zero-field and zero temperature limit, for different configurations of the ferromagnetic tangled chain and different types of addition interaction (ferromagnetic or antiferromagnetic). We found that the condition J=J' between the ferromagnetic interaction J along the chain and the antiferromagnetic interaction J' across the chain is somewhat as a ''transition-region'' condition for this behaviour. Our results indicate also the existence of non-zero entropy at zero temperature. (author). 17 refs, 8 figs
Examples of Entropy-driven Ordering
Indian Academy of Sciences (India)
driven Ordering. Orientational ordering of long objects. Entropy of sliding increases. Freezing in hard-sphere systems. Vibrational entropy increases. Phase separation in hard-sphere binary mixtures with disparate sizes. More room for smaller ...
Using entropy measures to characterize human locomotion.
Leverick, Graham; Szturm, Tony; Wu, Christine Q
2014-12-01
Entropy measures have been widely used to quantify the complexity of theoretical and experimental dynamical systems. In this paper, the value of using entropy measures to characterize human locomotion is demonstrated based on their construct validity, predictive validity in a simple model of human walking and convergent validity in an experimental study. Results show that four of the five considered entropy measures increase meaningfully with the increased probability of falling in a simple passive bipedal walker model. The same four entropy measures also experienced statistically significant increases in response to increasing age and gait impairment caused by cognitive interference in an experimental study. Of the considered entropy measures, the proposed quantized dynamical entropy (QDE) and quantization-based approximation of sample entropy (QASE) offered the best combination of sensitivity to changes in gait dynamics and computational efficiency. Based on these results, entropy appears to be a viable candidate for assessing the stability of human locomotion.
On thermodynamic limits of entropy densities
Moriya, H; Van Enter, A
We give some sufficient conditions which guarantee that the entropy density in the thermodynamic limit is equal to the thermodynamic limit of the entropy densities of finite-volume (local) Gibbs states.
Multivariate refined composite multiscale entropy analysis
International Nuclear Information System (INIS)
Humeau-Heurtier, Anne
2016-01-01
Multiscale entropy (MSE) has become a prevailing method to quantify signals complexity. MSE relies on sample entropy. However, MSE may yield imprecise complexity estimation at large scales, because sample entropy does not give precise estimation of entropy when short signals are processed. A refined composite multiscale entropy (RCMSE) has therefore recently been proposed. Nevertheless, RCMSE is for univariate signals only. The simultaneous analysis of multi-channel (multivariate) data often over-performs studies based on univariate signals. We therefore introduce an extension of RCMSE to multivariate data. Applications of multivariate RCMSE to simulated processes reveal its better performances over the standard multivariate MSE. - Highlights: • Multiscale entropy quantifies data complexity but may be inaccurate at large scale. • A refined composite multiscale entropy (RCMSE) has therefore recently been proposed. • Nevertheless, RCMSE is adapted to univariate time series only. • We herein introduce an extension of RCMSE to multivariate data. • It shows better performances than the standard multivariate multiscale entropy.
The entropy principle thermodynamics for the unsatisfied
Thess, André
2011-01-01
Entropy is the most important and the most difficult to understand term of thermodynamics. This book helps make this key concept understandable. It includes seven illustrative examples of applications of entropy, which are presented step by step.
A brief introduction to sofic entropy theory
Bowen, Lewis
2017-01-01
Sofic entropy theory is a generalization of the classical Kolmogorov-Sinai entropy theory to actions of large class of non-amenable groups called sofic groups. This is a short introduction with a guide to the literature.
Notes on entanglement entropy in string theory
International Nuclear Information System (INIS)
He, Song; Numasawa, Tokiro; Takayanagi, Tadashi; Watanabe, Kento
2015-01-01
In this paper, we study the conical entropy in string theory in the simplest setup of dividing the nine dimensional space into two halves. This corresponds to the leading quantum correction to the horizon entropy in string theory on the Rindler space. This entropy is also called the conical entropy and includes surface term contributions. We first derive a new simple formula of the conical entropy for any free higher spin fields. Then we apply this formula to computations of conical entropy in open and closed superstring. In our analysis of closed string, we study the twisted conical entropy defined by making use of string theory on Melvin backgrounds. This quantity is easier to calculate owing to the folding trick. Our analysis shows that the conical entropy in closed superstring is UV finite owing to the string scale cutoff.
HLT configuration management system
Daponte, Vincenzo
2015-01-01
The CMS High Level Trigger (HLT) is implemented running a streamlined version of the CMS offline reconstruction software running on thousands of CPUs. The CMS software is written mostly in C++, using Python as its configuration language through an embedded CPython interpreter. The configuration of each process is made up of hundreds of modules, organized in sequences and paths. As an example, the HLT configurations used for 2011 data taking comprised over 2200 different modules, organized in more than 400 independent trigger paths. The complexity of the HLT configurations and the large number of configuration produced require the design of a suitable data management system. The present work describes the designed solution to manage the considerable number of configurations developed and to assist the editing of new configurations. The system is required to be remotely accessible and OS-independent as well as easly maintainable easy to use. To meet these requirements a three-layers architecture has been choose...
Antenna entropy in plant photosystems does not reduce the free energy for primary charge separation.
Jennings, Robert C; Zucchelli, Giuseppe
2014-12-01
We have investigated the concept of the so-called "antenna entropy" of higher plant photosystems. Several interesting points emerge: 1. In the case of a photosystemwhich harbours an excited state, the “antenna entropy” is equivalent to the configurational (mixing) entropy of a thermodynamic canonical ensemble. The energy associated with this parameter has been calculated for a hypothetical isoenergetic photosystem, photosystem I and photosystem II, and comes out in the range of 3.5 - 8% of the photon energy considering 680 nm. 2. The “antenna entropy” seems to be a rather unique thermodynamic phenomenon, in as much as it does not modify the free energy available for primary photochemistry, as has been previously suggested. 3. It is underlined that this configurational (mixing) entropy, unlike heat dispersal in a thermal system, does not involve energy dilution. This points out an important difference between thermal and electronic energy dispersal. Copyright © 2014 Elsevier B.V. All rights reserved.
Definition of Nonequilibrium Entropy of General Systems
Mei, Xiaochun
1999-01-01
The definition of nonequilibrium entropy is provided for the general nonequilibrium processes by connecting thermodynamics with statistical physics, and the principle of entropy increment in the nonequilibrium processes is also proved in the paper. The result shows that the definition of nonequilibrium entropy is not unique.
Logical entropy of quantum dynamical systems
Directory of Open Access Journals (Sweden)
Ebrahimzadeh Abolfazl
2016-01-01
Full Text Available This paper introduces the concepts of logical entropy and conditional logical entropy of hnite partitions on a quantum logic. Some of their ergodic properties are presented. Also logical entropy of a quantum dynamical system is dehned and ergodic properties of dynamical systems on a quantum logic are investigated. Finally, the version of Kolmogorov-Sinai theorem is proved.
The Wehrl entropy has Gaussian optimizers
DEFF Research Database (Denmark)
De Palma, Giacomo
2018-01-01
We determine the minimum Wehrl entropy among the quantum states with a given von Neumann entropy and prove that it is achieved by thermal Gaussian states. This result determines the relation between the von Neumann and the Wehrl entropies. The key idea is proving that the quantum-classical channel...
Algebraic entropy for differential-delay equations
Viallet, Claude M.
2014-01-01
We extend the definition of algebraic entropy to a class of differential-delay equations. The vanishing of the entropy, as a structural property of an equation, signals its integrability. We suggest a simple way to produce differential-delay equations with vanishing entropy from known integrable differential-difference equations.
Universal canonical entropy for gravitating systems
Indian Academy of Sciences (India)
Similar to this is the case of ref. [12] which also uses the saddle point approximation to express the microcanonical entropy in terms of the canonical entropy [12a]. Recalling that there is at least 'circumstantial' evidence that the microcanonical entropy has a 'universal' form [13–15], identical to that obtained in ref. [6] quoted.
Regularities of changes of metal melting entropy
International Nuclear Information System (INIS)
Kats, S.A.; Chekhovskoj, V.Ya.
1980-01-01
Most trustworthy data on temperatures, heats and entropies of fusion of metals have been used as a basis to throw light on the laws governing variations of the entropy of metals fusion. The elaborated procedure is used to predict the entropies of the metals fusion whose thermodynamic properties under high temperatures have not yet been investigated
Single Particle Entropy in Heated Nuclei
International Nuclear Information System (INIS)
Guttormsen, M.; Chankova, R.; Hjorth-Jensen, M.; Rekstad, J.; Siem, S.; Sunde, A. C.; Syed, N. U. H.; Agvaanluvsan, U.; Schiller, A.; Voinov, A.
2006-01-01
The thermal motion of single particles represents the largest contribution to level density (or entropy) in atomic nuclei. The concept of single particle entropy is presented and shown to be an approximate extensive (additive) quantity for mid-shell nuclei. A few applications of single particle entropy are demonstrated
The dynamical entropy of quantum systems
International Nuclear Information System (INIS)
Connes, A.; Narnhofer, H.; Thirring, W.
1987-01-01
The definition of the dynamical entropy for automorphisms of C * - algebras is represented. Several properties are discussed; especially it is argued that the entropy of the shift can be shown in special cases to be equal with the entropy density. (Author)
Entropy-driven phase transitions
Frenkel, D.
1999-01-01
Increase in visible order can be associated with an increase in microscopic disorder. This phenomenon leads to many counter-intuitive phenomena such as entropy driven crystallization and phase separation. I devote special attention to the entropic depletion interaction as a means to tune the range
Properties of von Neumann entropy
Indian Academy of Sciences (India)
disentangled) as seen by moving observers, is used to investigate the properties of von Neumann entropy, as a measure of spin–momentum entanglement. To do so, we partition the total Hilbert space into momentum and spin subspaces so that the ...
Entropy, Coding and Data Compression
Indian Academy of Sciences (India)
Home; Journals; Resonance – Journal of Science Education; Volume 6; Issue 9. Entropy, Coding and Data Compression. S Natarajan. General Article Volume 6 Issue 9 September 2001 pp 35-45. Fulltext. Click here to view fulltext PDF. Permanent link: https://www.ias.ac.in/article/fulltext/reso/006/09/0035-0045 ...
Entropy of dynamical social networks
Zhao, Kun; Karsai, Marton; Bianconi, Ginestra
2012-02-01
Dynamical social networks are evolving rapidly and are highly adaptive. Characterizing the information encoded in social networks is essential to gain insight into the structure, evolution, adaptability and dynamics. Recently entropy measures have been used to quantify the information in email correspondence, static networks and mobility patterns. Nevertheless, we still lack methods to quantify the information encoded in time-varying dynamical social networks. In this talk we present a model to quantify the entropy of dynamical social networks and use this model to analyze the data of phone-call communication. We show evidence that the entropy of the phone-call interaction network changes according to circadian rhythms. Moreover we show that social networks are extremely adaptive and are modified by the use of technologies such as mobile phone communication. Indeed the statistics of duration of phone-call is described by a Weibull distribution and is significantly different from the distribution of duration of face-to-face interactions in a conference. Finally we investigate how much the entropy of dynamical social networks changes in realistic models of phone-call or face-to face interactions characterizing in this way different type human social behavior.
Maximum entropy beam diagnostic tomography
International Nuclear Information System (INIS)
Mottershead, C.T.
1985-01-01
This paper reviews the formalism of maximum entropy beam diagnostic tomography as applied to the Fusion Materials Irradiation Test (FMIT) prototype accelerator. The same formalism has also been used with streak camera data to produce an ultrahigh speed movie of the beam profile of the Experimental Test Accelerator (ETA) at Livermore. 11 refs., 4 figs
Maximum entropy beam diagnostic tomography
International Nuclear Information System (INIS)
Mottershead, C.T.
1985-01-01
This paper reviews the formalism of maximum entropy beam diagnostic tomography as applied to the Fusion Materials Irradiation Test (FMIT) prototype accelerator. The same formalism has also been used with streak camera data to produce an ultrahigh speed movie of the beam profile of the Experimental Test Accelerator (ETA) at Livermore
Hidden states and hidden entropy
International Nuclear Information System (INIS)
Betak, E.
1993-06-01
We study the properties of master equations of the pre-equilibrium exciton model. For the case when the emission is included, we have proved the entropy to be a nondecreasing function of time. The opposite statement in the recent paper of Pan et al. has been caused mainly by neglecting a part of the exciton states. (author). 17 refs
Vibrational entropies in metallic alloys
Ozolins, Vidvuds; Asta, Mark; Wolverton, Christopher
2000-03-01
Recently, it has been recognized that vibrational entropy can have significant effects on the phase stability of metallic alloys. Using density functional linear response calculations and molecular dynamics simulations we study three representative cases: (i) phase diagram of Al-rich Al-Sc alloys, (ii) stability of precipitate phases in CuAl_2, and (iii) phonon dynamics in bcc Zr. We find large vibrational entropy effects in all cases. In the Al-Sc system, vibrations increase the solid solubility of Sc in Al by decreasing the stability of the L12 (Al_3Sc) phase. This leads to a nearly ten-fold increase in the solid solubility of Sc in Al at T=800 K. In the Cu-Al system, our calculations predict that the tetragonal Laves phase of CuAl2 has 0.35 kB/atom higher vibrational entropy than the cubic CaF_2-type phase (the latter is predicted to be the T=0 K ground state of CuAl_2). This entropy difference causes a structural transformation in CuAl2 precipitates from the fluorite to the tetragonal Laves phase around T=500 K. Finally, we analyze the highly unusual dynamics of anharmonically stabilized bcc Zr, finding large diffuse-scattering intensity streaks between the bcc Bragg peaks.
International Nuclear Information System (INIS)
Miyahara, Hiroshi; Watanabe, Tamaki
1978-01-01
An extension of 4πe.x-γ coincidence technique is described to measure the absolute disintegration rate of 85 Sr. This nuclide shows electron capture-gamma decay, and 514keV level of 85 Rb is a meta-stable state with half life of 0.958 μsec. Therefore, the conventional 4 πe.x-γ coincidence technique with about 1 μsec of resolution time can not be applied to this nuclide. To measure the absolute disintegration rate of this, the delayed 4 πe.x-γ coincidence technique with two different resolution time has been used. The disintegration rate was determined from four counting rates of electron-x ray, gamma ray and two coincidences, and the true disintegration rate could be obtained by extraporation of the electron-x ray detection efficiency to 1. Two resolution time appearing in the calculation formulas were determined from the chance coincidence between electron-x ray and delayed gamma ray signals. When the coincidence countings with three different resolution time were carried out by one coincidence circuit, the results calculated from all combinations did not agree each other. However, when the two coincidence circuits of the same type were used to fix the resolution time, a good coincidence absorption function was obtained and the disintegration rate was determined with accuracy of +- 0.5%. To evaluate the validity of the results the disintegration rates were measured by two NaI (Tl) scintillation detectors whose gamma-ray detection efficiency was previously determined and both results were agreed within accuracy of +- 0.5%. This method can be applied with nearly same accuracy for the beta-gamma decay nuclide possessing a meta-stable state of the half life below about 10 μsec. (auth.)
Relation Entropy and Transferable Entropy Think of Aggregation on Group Decision Making
Institute of Scientific and Technical Information of China (English)
CHENG Qi-yue; QIU Wan-hua; LIU Xiao-feng
2002-01-01
In this paper, aggregation question based on group decision making and a single decision making is studied. The theory of entropy is applied to the sets pair analysis. The system of relation entropy and the transferable entropy notion are put. The character is studied. An potential by the relation entropy and transferable entropy are defined. It is the consistency measure on the group between a single decision making. We gained a new aggregation effective definition on the group misjudge.
Misuse of thermodynamic entropy in economics
International Nuclear Information System (INIS)
Kovalev, Andrey V.
2016-01-01
The direct relationship between thermodynamic entropy and economic scarcity is only valid for a thermodynamically isolated economy. References to the second law of thermodynamics in economics within the context of scarcity ignore the fact that the earth is not an isolated system. The earth interacts with external sources and sinks of entropy and the resulting total entropy fluctuates around a constant. Even if the mankind finally proves unable to recycle industrial waste and close the technological cycle, the economic disruption caused by the depletion of natural resources may happen while the total thermodynamic entropy of the ecosystem remains essentially at the present level, because the transfer of chemically refined products may not increase significantly the total entropy, but it may decrease their recyclability. The inutility of industrial waste is not connected with its entropy, which may be exemplified with the case of alumina production. The case also demonstrates that industrially generated entropy is discharged into surroundings without being accumulated in ‘thermodynamically unavailable matter’. Material entropy, as a measure of complexity and economic dispersal of resources, can be a recyclability metric, but it is not a thermodynamic parameter, and its growth is not equivalent to the growth of thermodynamic entropy. - Highlights: • Entropy cannot be used as a measure of economic scarcity. • There is no anthropogenic entropy separate from the entropy produced naturally. • Inutility of industrial waste is not connected with its thermodynamic entropy. • Industrially generated entropy may or may not be accumulated in industrial waste. • Recyclability is more important than thermodynamic entropy of a product.
Software configuration management
Keyes, Jessica
2004-01-01
Software Configuration Management discusses the framework from a standards viewpoint, using the original DoD MIL-STD-973 and EIA-649 standards to describe the elements of configuration management within a software engineering perspective. Divided into two parts, the first section is composed of 14 chapters that explain every facet of configuration management related to software engineering. The second section consists of 25 appendices that contain many valuable real world CM templates.
International Nuclear Information System (INIS)
Alsaed, A.
2004-01-01
''The Disposal Criticality Analysis Methodology Topical Report'' prescribes an approach to the methodology for performing postclosure criticality analyses within the monitored geologic repository at Yucca Mountain, Nevada. An essential component of the methodology is the ''Configuration Generator Model for In-Package Criticality'' that provides a tool to evaluate the probabilities of degraded configurations achieving a critical state. The configuration generator model is a risk-informed, performance-based process for evaluating the criticality potential of degraded configurations in the monitored geologic repository. The method uses event tree methods to define configuration classes derived from criticality scenarios and to identify configuration class characteristics (parameters, ranges, etc.). The probabilities of achieving the various configuration classes are derived in part from probability density functions for degradation parameters. The NRC has issued ''Safety Evaluation Report for Disposal Criticality Analysis Methodology Topical Report, Revision 0''. That report contained 28 open items that required resolution through additional documentation. Of the 28 open items, numbers 5, 6, 9, 10, 18, and 19 were concerned with a previously proposed software approach to the configuration generator methodology and, in particular, the k eff regression analysis associated with the methodology. However, the use of a k eff regression analysis is not part of the current configuration generator methodology and, thus, the referenced open items are no longer considered applicable and will not be further addressed
Ansible configuration management
Hall, Daniel
2013-01-01
Ansible Configuration Management"" is a step-by-step tutorial that teaches the use of Ansible for configuring Linux machines.This book is intended for anyone looking to understand the basics of Ansible. It is expected that you will have some experience of how to set up and configure Linux machines. In parts of the book we cover configuration files of BIND, MySQL, and other Linux daemons, therefore a working knowledge of these would be helpful but are certainly not required.
Configuration management at NEK
International Nuclear Information System (INIS)
Podhraski, M.
1999-01-01
Configuration Management (CM) objectives at NEK are to ensure consistency between Design Requirements, Physical Plant Configuration and Configuration Information. Software applications, supporting Design Change, Work Control and Document Control Processes, are integrated in one module-oriented Management Information System (MIS). Master Equipment Component List (MECL) database is central MIS module. Through a combination of centralized database and process migrated activities it is ensured that the CM principles and requirements (accurate, current design data matching plant's physical configuration while complying to applicable requirements), are followed and fulfilled.(author)
Enthalpy-entropy compensation in protein unfolding
Institute of Scientific and Technical Information of China (English)
无
2000-01-01
Enthalpy-entropy compensation was found to be a universal law in protein unfolding based on over 3 000 experimental data. Water molecular reorganization accompanying the protein unfolding was suggested as the origin of the enthalpy-entropy compensation in protein unfolding. It is indicated that the enthalpy-entropy compensation constitutes the physical foundation that satisfies the biological need of the small free energy changes in protein unfolding, without the sacrifice of the bio-diversity of proteins. The enthalpy-entropy compensation theory proposed herein also provides valuable insights into the Privalov's puzzle of enthalpy and entropy convergence in protein unfolding.
Receiver function estimated by maximum entropy deconvolution
Institute of Scientific and Technical Information of China (English)
吴庆举; 田小波; 张乃铃; 李卫平; 曾融生
2003-01-01
Maximum entropy deconvolution is presented to estimate receiver function, with the maximum entropy as the rule to determine auto-correlation and cross-correlation functions. The Toeplitz equation and Levinson algorithm are used to calculate the iterative formula of error-predicting filter, and receiver function is then estimated. During extrapolation, reflective coefficient is always less than 1, which keeps maximum entropy deconvolution stable. The maximum entropy of the data outside window increases the resolution of receiver function. Both synthetic and real seismograms show that maximum entropy deconvolution is an effective method to measure receiver function in time-domain.
Controlling the Shannon Entropy of Quantum Systems
Xing, Yifan; Wu, Jun
2013-01-01
This paper proposes a new quantum control method which controls the Shannon entropy of quantum systems. For both discrete and continuous entropies, controller design methods are proposed based on probability density function control, which can drive the quantum state to any target state. To drive the entropy to any target at any prespecified time, another discretization method is proposed for the discrete entropy case, and the conditions under which the entropy can be increased or decreased are discussed. Simulations are done on both two- and three-dimensional quantum systems, where division and prediction are used to achieve more accurate tracking. PMID:23818819
Entropy evaporated by a black hole
International Nuclear Information System (INIS)
Zurek, W.H.
1982-01-01
It is shown that the entropy of the radiation evaporated by an uncharged, nonrotating black hole into vacuum in the course of its lifetime is approximately (4/3) times the initial entropy of this black hole. Also considered is a thermodynamically reversible process in which an increase of black-hole entropy is equal to the decrease of the entropy of its surroundings. Implications of these results for the generalized second law of thermodynamics and for the interpretation of black-hole entropy are pointed out
q-entropy for symbolic dynamical systems
International Nuclear Information System (INIS)
Zhao, Yun; Pesin, Yakov
2015-01-01
For symbolic dynamical systems we use the Carathéodory construction as described in (Pesin 1997 Dimension Theory in Dynamical Systems, ConTemporary Views and Applications (Chicago: University of Chicago Press)) to introduce the notions of q-topological and q-metric entropies. We describe some basic properties of these entropies and in particular, discuss relations between q-metric entropy and local metric entropy. Both q-topological and q-metric entropies are new invariants respectively under homeomorphisms and metric isomorphisms of dynamical systems. (paper)
Holographic charged Rényi entropies
Belin, Alexandre; Hung, Ling-Yan; Maloney, Alexander; Matsuura, Shunji; Myers, Robert C.; Sierens, Todd
2013-12-01
We construct a new class of entanglement measures by extending the usual definition of Rényi entropy to include a chemical potential. These charged Rényi entropies measure the degree of entanglement in different charge sectors of the theory and are given by Euclidean path integrals with the insertion of a Wilson line encircling the entangling surface. We compute these entropies for a spherical entangling surface in CFT's with holographic duals, where they are related to entropies of charged black holes with hyperbolic horizons. We also compute charged Rényi entropies in free field theories.
Controlling the Shannon Entropy of Quantum Systems
Directory of Open Access Journals (Sweden)
Yifan Xing
2013-01-01
Full Text Available This paper proposes a new quantum control method which controls the Shannon entropy of quantum systems. For both discrete and continuous entropies, controller design methods are proposed based on probability density function control, which can drive the quantum state to any target state. To drive the entropy to any target at any prespecified time, another discretization method is proposed for the discrete entropy case, and the conditions under which the entropy can be increased or decreased are discussed. Simulations are done on both two- and three-dimensional quantum systems, where division and prediction are used to achieve more accurate tracking.
Entropy-Corrected Holographic Dark Energy
International Nuclear Information System (INIS)
Wei Hao
2009-01-01
The holographic dark energy (HDE) is now an interesting candidate of dark energy, which has been studied extensively in the literature. In the derivation of HDE, the black hole entropy plays an important role. In fact, the entropy-area relation can be modified due to loop quantum gravity or other reasons. With the modified entropy-area relation, we propose the so-called 'entropy-corrected holographic dark energy' (ECHDE) in the present work. We consider many aspects of ECHDE and find some interesting results. In addition, we briefly consider the so-called 'entropy-corrected agegraphic dark energy' (ECADE). (geophysics, astronomy, and astrophysics)
Entropy-based financial asset pricing.
Directory of Open Access Journals (Sweden)
Mihály Ormos
Full Text Available We investigate entropy as a financial risk measure. Entropy explains the equity premium of securities and portfolios in a simpler way and, at the same time, with higher explanatory power than the beta parameter of the capital asset pricing model. For asset pricing we define the continuous entropy as an alternative measure of risk. Our results show that entropy decreases in the function of the number of securities involved in a portfolio in a similar way to the standard deviation, and that efficient portfolios are situated on a hyperbola in the expected return-entropy system. For empirical investigation we use daily returns of 150 randomly selected securities for a period of 27 years. Our regression results show that entropy has a higher explanatory power for the expected return than the capital asset pricing model beta. Furthermore we show the time varying behavior of the beta along with entropy.
Entropy Generation Across Earth's Bow Shock
Parks, George K.; McCarthy, Michael; Fu, Suiyan; Lee E. s; Cao, Jinbin; Goldstein, Melvyn L.; Canu, Patrick; Dandouras, Iannis S.; Reme, Henri; Fazakerley, Andrew;
2011-01-01
Earth's bow shock is a transition layer that causes an irreversible change in the state of plasma that is stationary in time. Theories predict entropy increases across the bow shock but entropy has never been directly measured. Cluster and Double Star plasma experiments measure 3D plasma distributions upstream and downstream of the bow shock that allow calculation of Boltzmann's entropy function H and his famous H-theorem, dH/dt O. We present the first direct measurements of entropy density changes across Earth's bow shock. We will show that this entropy generation may be part of the processes that produce the non-thermal plasma distributions is consistent with a kinetic entropy flux model derived from the collisionless Boltzmann equation, giving strong support that solar wind's total entropy across the bow shock remains unchanged. As far as we know, our results are not explained by any existing shock models and should be of interests to theorists.
Wavelet entropy characterization of elevated intracranial pressure.
Xu, Peng; Scalzo, Fabien; Bergsneider, Marvin; Vespa, Paul; Chad, Miller; Hu, Xiao
2008-01-01
Intracranial Hypertension (ICH) often occurs for those patients with traumatic brain injury (TBI), stroke, tumor, etc. Pathology of ICH is still controversial. In this work, we used wavelet entropy and relative wavelet entropy to study the difference existed between normal and hypertension states of ICP for the first time. The wavelet entropy revealed the similar findings as the approximation entropy that entropy during ICH state is smaller than that in normal state. Moreover, with wavelet entropy, we can see that ICH state has the more focused energy in the low wavelet frequency band (0-3.1 Hz) than the normal state. The relative wavelet entropy shows that the energy distribution in the wavelet bands between these two states is actually different. Based on these results, we suggest that ICH may be formed by the re-allocation of oscillation energy within brain.
Entropy-based financial asset pricing.
Ormos, Mihály; Zibriczky, Dávid
2014-01-01
We investigate entropy as a financial risk measure. Entropy explains the equity premium of securities and portfolios in a simpler way and, at the same time, with higher explanatory power than the beta parameter of the capital asset pricing model. For asset pricing we define the continuous entropy as an alternative measure of risk. Our results show that entropy decreases in the function of the number of securities involved in a portfolio in a similar way to the standard deviation, and that efficient portfolios are situated on a hyperbola in the expected return-entropy system. For empirical investigation we use daily returns of 150 randomly selected securities for a period of 27 years. Our regression results show that entropy has a higher explanatory power for the expected return than the capital asset pricing model beta. Furthermore we show the time varying behavior of the beta along with entropy.
Entropy and Entropy Production: Old Misconceptions and New Breakthroughs
Directory of Open Access Journals (Sweden)
Leonid M. Martyushev
2013-03-01
Full Text Available Persistent misconceptions existing for dozens of years and influencing progress in various fields of science are sometimes encountered in the scientific and especially, the popular-science literature. The present brief review deals with two such interrelated misconceptions (misunderstandings. The first misunderstanding: entropy is a measure of disorder. This is an old and very common opinion. The second misconception is that the entropy production minimizes in the evolution of nonequilibrium systems. However, as it has recently become clear, evolution (progress in Nature demonstrates the opposite, i.e., maximization of the entropy production. The principal questions connected with this maximization are considered herein. The two misconceptions mentioned above can lead to the apparent contradiction between the conclusions of modern thermodynamics and the basic conceptions of evolution existing in biology. In this regard, the analysis of these issues seems extremely important and timely as it contributes to the deeper understanding of the laws of development of the surrounding World and the place of humans in it.
Simulator configuration maintenance
International Nuclear Information System (INIS)
2006-01-01
Requirements and recommendations of this section defines NPP personnel activity aimed to the provision of the simulator configuration compliance with the current configuration of the power-generating unit-prototype, standard and technical requirements and describe a monitoring procedure for a set of simulator software and hardware, training, organizational and technical documents
PIV Logon Configuration Guidance
Energy Technology Data Exchange (ETDEWEB)
Lee, Glen Alan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2016-03-04
This document details the configurations and enhancements implemented to support the usage of federal Personal Identity Verification (PIV) Card for logon on unclassified networks. The guidance is a reference implementation of the configurations and enhancements deployed at the Los Alamos National Laboratory (LANL) by Network and Infrastructure Engineering – Core Services (NIE-CS).
Business Model Process Configurations
DEFF Research Database (Denmark)
Taran, Yariv; Nielsen, Christian; Thomsen, Peter
2015-01-01
, by developing (inductively) an ontological classification framework, in view of the BM process configurations typology developed. Design/methodology/approach – Given the inconsistencies found in the business model studies (e.g. definitions, configurations, classifications) we adopted the analytical induction...
Risk-based configuration control
International Nuclear Information System (INIS)
Szikszai, T.
1997-01-01
The presentation discusses the following issues: The Configuration Control; The Risk-based Configuration Control (during power operation mode, and during shutdown mode). PSA requirements. Use of Risk-based Configuration Control System. Configuration Management (basic elements, benefits, information requirements)
On Maximum Entropy and Inference
Directory of Open Access Journals (Sweden)
Luigi Gresele
2017-11-01
Full Text Available Maximum entropy is a powerful concept that entails a sharp separation between relevant and irrelevant variables. It is typically invoked in inference, once an assumption is made on what the relevant variables are, in order to estimate a model from data, that affords predictions on all other (dependent variables. Conversely, maximum entropy can be invoked to retrieve the relevant variables (sufficient statistics directly from the data, once a model is identified by Bayesian model selection. We explore this approach in the case of spin models with interactions of arbitrary order, and we discuss how relevant interactions can be inferred. In this perspective, the dimensionality of the inference problem is not set by the number of parameters in the model, but by the frequency distribution of the data. We illustrate the method showing its ability to recover the correct model in a few prototype cases and discuss its application on a real dataset.
Entropy favours open colloidal lattices
Mao, Xiaoming; Chen, Qian; Granick, Steve
2013-03-01
Burgeoning experimental and simulation activity seeks to understand the existence of self-assembled colloidal structures that are not close-packed. Here we describe an analytical theory based on lattice dynamics and supported by experiments that reveals the fundamental role entropy can play in stabilizing open lattices. The entropy we consider is associated with the rotational and vibrational modes unique to colloids interacting through extended attractive patches. The theory makes predictions of the implied temperature, pressure and patch-size dependence of the phase diagram of open and close-packed structures. More generally, it provides guidance for the conditions at which targeted patchy colloidal assemblies in two and three dimensions are stable, thus overcoming the difficulty in exploring by experiment or simulation the full range of conceivable parameters.
Maximizing Entropy over Markov Processes
DEFF Research Database (Denmark)
Biondi, Fabrizio; Legay, Axel; Nielsen, Bo Friis
2013-01-01
The channel capacity of a deterministic system with confidential data is an upper bound on the amount of bits of data an attacker can learn from the system. We encode all possible attacks to a system using a probabilistic specification, an Interval Markov Chain. Then the channel capacity...... as a reward function, a polynomial algorithm to verify the existence of an system maximizing entropy among those respecting a specification, a procedure for the maximization of reward functions over Interval Markov Chains and its application to synthesize an implementation maximizing entropy. We show how...... to use Interval Markov Chains to model abstractions of deterministic systems with confidential data, and use the above results to compute their channel capacity. These results are a foundation for ongoing work on computing channel capacity for abstractions of programs derived from code....
Maximizing entropy over Markov processes
DEFF Research Database (Denmark)
Biondi, Fabrizio; Legay, Axel; Nielsen, Bo Friis
2014-01-01
The channel capacity of a deterministic system with confidential data is an upper bound on the amount of bits of data an attacker can learn from the system. We encode all possible attacks to a system using a probabilistic specification, an Interval Markov Chain. Then the channel capacity...... as a reward function, a polynomial algorithm to verify the existence of a system maximizing entropy among those respecting a specification, a procedure for the maximization of reward functions over Interval Markov Chains and its application to synthesize an implementation maximizing entropy. We show how...... to use Interval Markov Chains to model abstractions of deterministic systems with confidential data, and use the above results to compute their channel capacity. These results are a foundation for ongoing work on computing channel capacity for abstractions of programs derived from code. © 2014 Elsevier...
Preserved entropy and fragile magnetism.
Canfield, Paul C; Bud'ko, Sergey L
2016-08-01
A large swath of quantum critical and strongly correlated electron systems can be associated with the phenomena of preserved entropy and fragile magnetism. In this overview we present our thoughts and plans for the discovery and development of lanthanide and transition metal based, strongly correlated systems that are revealed by suppressed, fragile magnetism, quantum criticality, or grow out of preserved entropy. We will present and discuss current examples such as YbBiPt, YbAgGe, YbFe2Zn20, PrAg2In, BaFe2As2, CaFe2As2, LaCrSb3 and LaCrGe3 as part of our motivation and to provide illustrative examples.
ASSESSMENT OF MOTIVATION BY ENTROPY
Tadeusz G³owacki
2014-01-01
Motivation is inseparable from human work. It is also one of the five most important elements of the management process. The ability to determine the level of motivation would therefore be very useful in the work of every manager. This paper is an attempt to quantify motivation and evaluate its size, using the concept of entropy. The main reason to try defining a method of measuring the amount of motivation is to improve the management techniques of companies.
Multivariate Generalized Multiscale Entropy Analysis
Directory of Open Access Journals (Sweden)
Anne Humeau-Heurtier
2016-11-01
Full Text Available Multiscale entropy (MSE was introduced in the 2000s to quantify systems’ complexity. MSE relies on (i a coarse-graining procedure to derive a set of time series representing the system dynamics on different time scales; (ii the computation of the sample entropy for each coarse-grained time series. A refined composite MSE (rcMSE—based on the same steps as MSE—also exists. Compared to MSE, rcMSE increases the accuracy of entropy estimation and reduces the probability of inducing undefined entropy for short time series. The multivariate versions of MSE (MMSE and rcMSE (MrcMSE have also been introduced. In the coarse-graining step used in MSE, rcMSE, MMSE, and MrcMSE, the mean value is used to derive representations of the original data at different resolutions. A generalization of MSE was recently published, using the computation of different moments in the coarse-graining procedure. However, so far, this generalization only exists for univariate signals. We therefore herein propose an extension of this generalized MSE to multivariate data. The multivariate generalized algorithms of MMSE and MrcMSE presented herein (MGMSE and MGrcMSE, respectively are first analyzed through the processing of synthetic signals. We reveal that MGrcMSE shows better performance than MGMSE for short multivariate data. We then study the performance of MGrcMSE on two sets of short multivariate electroencephalograms (EEG available in the public domain. We report that MGrcMSE may show better performance than MrcMSE in distinguishing different types of multivariate EEG data. MGrcMSE could therefore supplement MMSE or MrcMSE in the processing of multivariate datasets.
The entropy function for the black holes of Nariai class
International Nuclear Information System (INIS)
Cho, Jin-Ho; Nam, Soonkeon
2008-01-01
Based on the fact that the near horizon geometry of the extremal Schwarzschild-de Sitter black holes is Nariai geometry, we define the black holes of Nariai class as the configuration whose near-horizon geometry is factorized as two dimensional de Sitter space-time and some compact topology, that is Nariai geometry. We extend the entropy function formalism to the case of the black holes of Nariai class. The conventional entropy function (for the extremal black holes) is defined as Legendre transformation of Lagrangian density, thus the 'Routhian density', over two dimensional anti-de Sitter. As for the black holes of Nariai class, it is defined as minus 'Routhian density' over two dimensional de Sitter space-time. We found an exact agreement of the result with Bekenstein-Hawking entropy. The higher order corrections are nontrivial only when the space-time dimension is over four, that is, d>4. There is a subtlety as regards the temperature of the black holes of Nariai class. We show that in order to be consistent with the near horizon geometry, the temperature should be non-vanishing despite the extremality of the black holes
Maximum-Entropy Inference with a Programmable Annealer
Chancellor, Nicholas; Szoke, Szilard; Vinci, Walter; Aeppli, Gabriel; Warburton, Paul A.
2016-03-01
Optimisation problems typically involve finding the ground state (i.e. the minimum energy configuration) of a cost function with respect to many variables. If the variables are corrupted by noise then this maximises the likelihood that the solution is correct. The maximum entropy solution on the other hand takes the form of a Boltzmann distribution over the ground and excited states of the cost function to correct for noise. Here we use a programmable annealer for the information decoding problem which we simulate as a random Ising model in a field. We show experimentally that finite temperature maximum entropy decoding can give slightly better bit-error-rates than the maximum likelihood approach, confirming that useful information can be extracted from the excited states of the annealer. Furthermore we introduce a bit-by-bit analytical method which is agnostic to the specific application and use it to show that the annealer samples from a highly Boltzmann-like distribution. Machines of this kind are therefore candidates for use in a variety of machine learning applications which exploit maximum entropy inference, including language processing and image recognition.
Entropy in an expanding universe
International Nuclear Information System (INIS)
Frautschi, S.
1982-01-01
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
Resonance transport and kinetic entropy
International Nuclear Information System (INIS)
Ivanov, Yu.B.; Knoll, J.; Voskresensky, D.N.
2000-01-01
We continue the description of the dynamics of unstable particles within the real-time formulation of nonequilibrium field theory initiated in a previous paper . There we suggest to use Baym's PHI-functional method in order to achieve approximation schemes with 'built in' consistency with respect to conservation laws and thermodynamics even in the case of particles with finite damping width. Starting from Kadanoff-Baym equations we discuss a consistent first order gradient approach to transport which preserves the PHI-derivable properties. The validity conditions for the resulting quantum four-phase-space kinetic theory are discussed under the perspective to treat particles with broad damping widths. This non-equilibrium dynamics naturally includes all those quantum features already inherent in the corresponding equilibrium limit (e.g. Matsubara formalism) at the same level of PHI-derivable approximation. Various collision-term diagrams are discussed including those of higher order which lead to memory effects. As an important novel part we derive a generalized nonequilibrium expression for the kinetic entropy flow, which includes contributions from fluctuations and mass-width effects. In special cases an H-theorem is derived implying that the entropy can only increase with time. Memory effects in the kinetic terms provide contributions to the kinetic entropy flow that in the equilibrium limit recover the famous bosonic type T 3 lnT correction to the specific heat in the case of Fermi liquids like Helium-3
Linearity of holographic entanglement entropy
Energy Technology Data Exchange (ETDEWEB)
Almheiri, Ahmed [Stanford Institute for Theoretical Physics, Department of Physics,Stanford University, Stanford, CA 94305 (United States); Dong, Xi [School of Natural Sciences, Institute for Advanced Study,Princeton, NJ 08540 (United States); Swingle, Brian [Stanford Institute for Theoretical Physics, Department of Physics,Stanford University, Stanford, CA 94305 (United States)
2017-02-14
We consider the question of whether the leading contribution to the entanglement entropy in holographic CFTs is truly given by the expectation value of a linear operator as is suggested by the Ryu-Takayanagi formula. We investigate this property by computing the entanglement entropy, via the replica trick, in states dual to superpositions of macroscopically distinct geometries and find it consistent with evaluating the expectation value of the area operator within such states. However, we find that this fails once the number of semi-classical states in the superposition grows exponentially in the central charge of the CFT. Moreover, in certain such scenarios we find that the choice of surface on which to evaluate the area operator depends on the density matrix of the entire CFT. This nonlinearity is enforced in the bulk via the homology prescription of Ryu-Takayanagi. We thus conclude that the homology constraint is not a linear property in the CFT. We also discuss the existence of ‘entropy operators’ in general systems with a large number of degrees of freedom.
Holistic Entropy Reduction for Collaborative Filtering
Directory of Open Access Journals (Sweden)
Szwabe Andrzej
2014-07-01
Full Text Available We propose a collaborative filtering (CF method that uses behavioral data provided as propositions having the RDF-compliant form of (user X, likes, item Y triples. The method involves the application of a novel self-configuration technique for the generation of vector-space representations optimized from the information-theoretic perspective. The method, referred to as Holistic Probabilistic Modus Ponendo Ponens (HPMPP, enables reasoning about the likelihood of unknown facts. The proposed vector-space graph representation model is based on the probabilistic apparatus of quantum Information Retrieval and on the compatibility of all operators representing subjects, predicates, objects and facts. The dual graph-vector representation of the available propositional data enables the entropy-reducing transformation and supports the compositionality of mutually compatible representations. As shown in the experiments presented in the paper, the compositionality of the vector-space representations allows an HPMPP-based recommendation system to identify which of the unknown facts having the triple form (user X, likes, item Y are the most likely to be true in a way that is both effective and, in contrast to methods proposed so far, fully automatic.
Statistical mechanical theory of liquid entropy
International Nuclear Information System (INIS)
Wallace, D.C.
1993-01-01
The multiparticle correlation expansion for the entropy of a classical monatomic liquid is presented. This entropy expresses the physical picture in which there is no free particle motion, but rather, each atom moves within a cage formed by its neighbors. The liquid expansion, including only pair correlations, gives an excellent account of the experimental entropy of most liquid metals, of liquid argon, and the hard sphere liquid. The pair correlation entropy is well approximated by a universal function of temperature. Higher order correlation entropy, due to n-particle irreducible correlations for n≥3, is significant in only a few liquid metals, and its occurrence suggests the presence of n-body forces. When the liquid theory is applied to the study of melting, the author discovers the important classification of normal and anomalous melting, according to whether there is not or is a significant change in the electronic structure upon melting, and he discovers the universal disordering entropy for melting of a monatomic crystal. Interesting directions for future research are: extension to include orientational correlations of molecules, theoretical calculation of the entropy of water, application to the entropy of the amorphous state, and correlational entropy of compressed argon. The author clarifies the relation among different entropy expansions in the recent literature
Entropy in molecular recognition by proteins.
Caro, José A; Harpole, Kyle W; Kasinath, Vignesh; Lim, Jackwee; Granja, Jeffrey; Valentine, Kathleen G; Sharp, Kim A; Wand, A Joshua
2017-06-20
Molecular recognition by proteins is fundamental to molecular biology. Dissection of the thermodynamic energy terms governing protein-ligand interactions has proven difficult, with determination of entropic contributions being particularly elusive. NMR relaxation measurements have suggested that changes in protein conformational entropy can be quantitatively obtained through a dynamical proxy, but the generality of this relationship has not been shown. Twenty-eight protein-ligand complexes are used to show a quantitative relationship between measures of fast side-chain motion and the underlying conformational entropy. We find that the contribution of conformational entropy can range from favorable to unfavorable, which demonstrates the potential of this thermodynamic variable to modulate protein-ligand interactions. For about one-quarter of these complexes, the absence of conformational entropy would render the resulting affinity biologically meaningless. The dynamical proxy for conformational entropy or "entropy meter" also allows for refinement of the contributions of solvent entropy and the loss in rotational-translational entropy accompanying formation of high-affinity complexes. Furthermore, structure-based application of the approach can also provide insight into long-lived specific water-protein interactions that escape the generic treatments of solvent entropy based simply on changes in accessible surface area. These results provide a comprehensive and unified view of the general role of entropy in high-affinity molecular recognition by proteins.
Near threshold absolute TDCS: First results
International Nuclear Information System (INIS)
Roesel, T.; Schlemmer, P.; Roeder, J.; Frost, L.; Jung, K.; Ehrhardt, H.
1992-01-01
A new method, and first results for an impact energy 2 eV above the threshold of ionisation of helium, are presented for the measurement of absolute triple differential cross sections (TDCS) in a crossed beam experiment. The method is based upon measurement of beam/target overlap densities using known absolute total ionisation cross sections and of detection efficiencies using known absolute double differential cross sections (DDCS). For the present work the necessary absolute DDCS for 1 eV electrons had also to be measured. Results are presented for several different coplanar kinematics and are compared with recent DWBA calculations. (orig.)
International Nuclear Information System (INIS)
Elsner, Albrecht
2012-01-01
Gibbs's work on the thermodynamic properties of substances presented a complete thermodynamic theory. The formulations of the entropy S and internal energy U as extensive quantities allow the zeros of the real gas to be given: S=0 at absolute zero (Nernst, Planck) and U=0 at the critical point. Consequently, every thermodynamic function is unique and absolutely specified. Interdependences among quantities such as temperature, vapor pressure, chemical potential, volume, entropy, internal energy, and heat capacity are likewise unique and numerically well defined. This is shown for the saturated fluid, water, in the region between absolute zero and the critical point. As a consequence of the calculation of the chemical potential, it follows that the free particle flow in an inhomogeneous system is essentially governed by the difference in chemical potential, and not through the difference in pressure, this effect being of importance for meteorology and oceanography.
Entropy Maximization as a Basis for Information Recovery in Dynamic Economic Behavioral Systems
Directory of Open Access Journals (Sweden)
George Judge
2015-02-01
Full Text Available As a basis for information recovery in open dynamic microeconomic systems, we emphasize the connection between adaptive intelligent behavior, causal entropy maximization and self-organized equilibrium seeking behavior. This entropy-based causal adaptive behavior framework permits the use of information-theoretic methods as a solution basis for the resulting pure and stochastic inverse economic-econometric problems. We cast the information recovery problem in the form of a binary network and suggest information-theoretic methods to recover estimates of the unknown binary behavioral parameters without explicitly sampling the configuration-arrangement of the sample space.
The LHCb configuration database
Abadie, Lana; Gaspar, Clara; Jacobsson, Richard; Jost, Beat; Neufeld, Niko
2005-01-01
The Experiment Control System (ECS) will handle the monitoring, configuration and operation of all the LHCb experimental equipment. All parameters required to configure electronics equipment under the control of the ECS will reside in a configuration database. The database will contain two kinds of information: 1.\tConfiguration properties about devices such as hardware addresses, geographical location, and operational parameters associated with particular running modes (dynamic properties). 2.\tConnectivity between devices : this consists of describing the output and input connections of a device (static properties). The representation of these data using tables must be complete so that it can provide all the required information to the ECS and must cater for all the subsystems. The design should also guarantee a fast response time, even if a query results in a large volume of data being loaded from the database into the ECS. To fulfil these constraints, we apply the following methodology: Determine from the d...
Drupal 8 configuration management
Borchert, Stefan
2015-01-01
Drupal 8 Configuration Management is intended for people who use Drupal 8 to build websites, whether you are a hobbyist using Drupal for the first time, a long-time Drupal site builder, or a professional web developer.
Configuration by Modularisation
DEFF Research Database (Denmark)
Riitahuhta, Asko; Andreasen, Mogens Myrup
1998-01-01
Globally operating companies have realized that locally customized products and services are today the prerequisite for the success. The capability or the paradigm to act locally in global markets is called Mass Customization [Victor 1997]. The prerequisite for Mass Customization is Configuration...... Management and i Configuration Management the most important means is Modularisation.The goal of this paper is to show Configuration Management as a contribution to the Mass Customisation and Modularisation as a contribution to the industrialisation of the design area [Andreasen 1997]. A basic model...... for the creation of a structured product family is presented and examples are given. The concepts of a novel Dynamic Modularisation method, Metrics for Modularisation and Design for Configurability are presented....
Configuration Management Automation (CMA) -
Department of Transportation — Configuration Management Automation (CMA) will provide an automated, integrated enterprise solution to support CM of FAA NAS and Non-NAS assets and investments. CMA...
On Thermodynamic Interpretation of Transfer Entropy
Directory of Open Access Journals (Sweden)
Don C. Price
2013-02-01
Full Text Available We propose a thermodynamic interpretation of transfer entropy near equilibrium, using a specialised Boltzmann’s principle. The approach relates conditional probabilities to the probabilities of the corresponding state transitions. This in turn characterises transfer entropy as a difference of two entropy rates: the rate for a resultant transition and another rate for a possibly irreversible transition within the system affected by an additional source. We then show that this difference, the local transfer entropy, is proportional to the external entropy production, possibly due to irreversibility. Near equilibrium, transfer entropy is also interpreted as the difference in equilibrium stabilities with respect to two scenarios: a default case and the case with an additional source. Finally, we demonstrated that such a thermodynamic treatment is not applicable to information flow, a measure of causal effect.
Black hole entropy functions and attractor equations
International Nuclear Information System (INIS)
Lopes Cardoso, Gabriel; Wit, Bernard de; Mahapatra, Swapna
2007-01-01
The entropy and the attractor equations for static extremal black hole solutions follow from a variational principle based on an entropy function. In the general case such an entropy function can be derived from the reduced action evaluated in a near-horizon geometry. BPS black holes constitute special solutions of this variational principle, but they can also be derived directly from a different entropy function based on supersymmetry enhancement at the horizon. Both functions are consistent with electric/magnetic duality and for BPS black holes their corresponding OSV-type integrals give identical results at the semi-classical level. We clarify the relation between the two entropy functions and the corresponding attractor equations for N = 2 supergravity theories with higher-derivative couplings in four space-time dimensions. We discuss how non-holomorphic corrections will modify these entropy functions
Large Field Inflation and Gravitational Entropy
DEFF Research Database (Denmark)
Kaloper, Nemanja; Kleban, Matthew; Lawrence, Albion
2016-01-01
species will lead to a violation of the covariant entropy bound at large $N$. If so, requiring the validity of the covariant entropy bound could limit the number of light species and their couplings, which in turn could severely constrain axion-driven inflation. Here we show that there is no such problem...... entropy of de Sitter or near-de Sitter backgrounds at leading order. Working in detail with $N$ scalar fields in de Sitter space, renormalized to one loop order, we show that the gravitational entropy automatically obeys the covariant entropy bound. Furthermore, while the axion decay constant is a strong...... in this light, and show that they are perfectly consistent with the covariant entropy bound. Thus, while quantum gravity might yet spoil large field inflation, holographic considerations in the semiclassical theory do not obstruct it....
Entropy type complexity of quantum processes
International Nuclear Information System (INIS)
Watanabe, Noboru
2014-01-01
von Neumann entropy represents the amount of information in the quantum state, and this was extended by Ohya for general quantum systems [10]. Umegaki first defined the quantum relative entropy for σ-finite von Neumann algebras, which was extended by Araki, and Uhlmann, for general von Neumann algebras and *-algebras, respectively. In 1983 Ohya introduced the quantum mutual entropy by using compound states; this describes the amount of information correctly transmitted through the quantum channel, which was also extended by Ohya for general quantum systems. In this paper, we briefly explain Ohya's S-mixing entropy and the quantum mutual entropy for general quantum systems. By using structure equivalent class, we will introduce entropy type functionals based on quantum information theory to improve treatment for the Gaussian communication process. (paper)
Relative entropy and the RG flow
Energy Technology Data Exchange (ETDEWEB)
Casini, Horacio; Testé, Eduardo; Torroba, Gonzalo [Centro Atómico Bariloche and CONICET,S.C. de Bariloche, Río Negro, R8402AGP (Argentina)
2017-03-16
We consider the relative entropy between vacuum states of two different theories: a conformal field theory (CFT), and the CFT perturbed by a relevant operator. By restricting both states to the null Cauchy surface in the causal domain of a sphere, we make the relative entropy equal to the difference of entanglement entropies. As a result, this difference has the positivity and monotonicity properties of relative entropy. From this it follows a simple alternative proof of the c-theorem in d=2 space-time dimensions and, for d>2, the proof that the coefficient of the area term in the entanglement entropy decreases along the renormalization group (RG) flow between fixed points. We comment on the regimes of convergence of relative entropy, depending on the space-time dimensions and the conformal dimension Δ of the perturbation that triggers the RG flow.
Curvature Entropy for Curved Profile Generation
Directory of Open Access Journals (Sweden)
Koichiro Sato
2012-03-01
Full Text Available In a curved surface design, the overall shape features that emerge from combinations of shape elements are important. However, controlling the features of the overall shape in curved profiles is difficult using conventional microscopic shape information such as dimension. Herein two types of macroscopic shape information, curvature entropy and quadrature curvature entropy, quantitatively represent the features of the overall shape. The curvature entropy is calculated by the curvature distribution, and represents the complexity of a shape (one of the overall shape features. The quadrature curvature entropy is an improvement of the curvature entropy by introducing a Markov process to evaluate the continuity of a curvature and to approximate human cognition of the shape. Additionally, a shape generation method using a genetic algorithm as a calculator and the entropy as a shape generation index is presented. Finally, the applicability of the proposed method is demonstrated using the side view of an automobile as a design example.
Black hole versus cosmological horizon entropy
International Nuclear Information System (INIS)
Davis, Tamara M; Davies, P C W; Lineweaver, Charles H
2003-01-01
The generalized second law of thermodynamics states that entropy always increases when all event horizons are attributed with an entropy proportional to their area. We test the generalized second law by investigating the change in entropy when dust, radiation and black holes cross a cosmological event horizon. We generalize for flat, open and closed Friedmann-Robertson-Walker universes by using numerical calculations to determine the cosmological horizon evolution. In most cases, the loss of entropy from within the cosmological horizon is more than balanced by an increase in cosmological event horizon entropy, maintaining the validity of the generalized second law of thermodynamics. However, an intriguing set of open universe models shows an apparent entropy decrease when black holes disappear over the cosmological event horizon. We anticipate that this apparent violation of the generalized second law will disappear when solutions are available for black holes embedded in arbitrary backgrounds
Computer software configuration management
International Nuclear Information System (INIS)
Pelletier, G.
1987-08-01
This report reviews the basic elements of software configuration management (SCM) as defined by military and industry standards. Several software configuration management standards are evaluated given the requirements of the nuclear industry. A survey is included of available automated tools for supporting SCM activities. Some information is given on the experience of establishing and using SCM plans of other organizations that manage critical software. The report concludes with recommendations of practices that would be most appropriate for the nuclear power industry in Canada
Entropy jump across an inviscid shock wave
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.
New Definition and Properties of Fuzzy Entropy
Institute of Scientific and Technical Information of China (English)
Qing Ming; Qin Yingbing
2006-01-01
Let X = (x1,x2 ,…,xn ) and F(X) be a fuzzy set on a universal set X. A new definition of fuzzy entropy about a fuzzy set A on F(X), e*, is defined based on the order relation "≤" on [0,1/2] n. It is proved that e* is a σ-entropy under an additional requirement. Besides, some entropy formulas are presented and related properties are discussed.
Permutation Entropy: New Ideas and Challenges
Directory of Open Access Journals (Sweden)
Karsten Keller
2017-03-01
Full Text Available Over recent years, some new variants of Permutation entropy have been introduced and applied to EEG analysis, including a conditional variant and variants using some additional metric information or being based on entropies that are different from the Shannon entropy. In some situations, it is not completely clear what kind of information the new measures and their algorithmic implementations provide. We discuss the new developments and illustrate them for EEG data.
Entropy In the Universe: A New Approach
Directory of Open Access Journals (Sweden)
Antonio Alfonso-Faus
2000-09-01
Full Text Available Abstract: We propose a new definition of entropy for any mass m, based on gravitation and through the concept of a gravitational cross section. It turns out to be proportional to mass, and therefore extensive, and to the age of the Universe. It is a Machian approach. It is also the number of gravity quanta the mass has emitted through its age. The entropy of the Uni-verse is so determined and the cosmological entropy problem solved.
Curvature Entropy for Curved Profile Generation
Ujiie, Yoshiki; Kato, Takeo; Sato, Koichiro; Matsuoka, Yoshiyuki
2012-01-01
In a curved surface design, the overall shape features that emerge from combinations of shape elements are important. However, controlling the features of the overall shape in curved profiles is difficult using conventional microscopic shape information such as dimension. Herein two types of macroscopic shape information, curvature entropy and quadrature curvature entropy, quantitatively represent the features of the overall shape. The curvature entropy is calculated by the curvature distribu...
Mosher Amides: Determining the Absolute Stereochemistry of Optically-Active Amines
Allen, Damian A.; Tomaso, Anthony E., Jr.; Priest, Owen P.; Hindson, David F.; Hurlburt, Jamie L.
2008-01-01
The use of chiral reagents for the derivatization of optically-active amines and alcohols for the purpose of determining their enantiomeric purity or absolute configuration is a tool used by many chemists. Among the techniques used, Mosher's amide and Mosher's ester analyses are among the most reliable and one of the most often used. Despite this,…
Introducing the Mean Absolute Deviation "Effect" Size
Gorard, Stephen
2015-01-01
This paper revisits the use of effect sizes in the analysis of experimental and similar results, and reminds readers of the relative advantages of the mean absolute deviation as a measure of variation, as opposed to the more complex standard deviation. The mean absolute deviation is easier to use and understand, and more tolerant of extreme…
Investigating Absolute Value: A Real World Application
Kidd, Margaret; Pagni, David
2009-01-01
Making connections between various representations is important in mathematics. In this article, the authors discuss the numeric, algebraic, and graphical representations of sums of absolute values of linear functions. The initial explanations are accessible to all students who have experience graphing and who understand that absolute value simply…
Nonextensive entropies derived from Gauss' principle
International Nuclear Information System (INIS)
Wada, Tatsuaki
2011-01-01
Gauss' principle in statistical mechanics is generalized for a q-exponential distribution in nonextensive statistical mechanics. It determines the associated stochastic and statistical nonextensive entropies which satisfy Greene-Callen principle concerning on the equivalence between microcanonical and canonical ensembles. - Highlights: → Nonextensive entropies are derived from Gauss' principle and ensemble equivalence. → Gauss' principle is generalized for a q-exponential distribution. → I have found the condition for satisfying Greene-Callen principle. → The associated statistical q-entropy is found to be normalized Tsallis entropy.
Entropy as a measure of diffusion
International Nuclear Information System (INIS)
Aghamohammadi, Amir; Fatollahi, Amir H.; Khorrami, Mohammad; Shariati, Ahmad
2013-01-01
The time variation of entropy, as an alternative to the variance, is proposed as a measure of the diffusion rate. It is shown that for linear and time-translationally invariant systems having a large-time limit for the density, at large times the entropy tends exponentially to a constant. For systems with no stationary density, at large times the entropy is logarithmic with a coefficient specifying the speed of the diffusion. As an example, the large-time behaviors of the entropy and the variance are compared for various types of fractional-derivative diffusions.
Entropy as a measure of diffusion
Energy Technology Data Exchange (ETDEWEB)
Aghamohammadi, Amir, E-mail: mohamadi@alzahra.ac.ir; Fatollahi, Amir H., E-mail: fath@alzahra.ac.ir; Khorrami, Mohammad, E-mail: mamwad@mailaps.org; Shariati, Ahmad, E-mail: shariati@mailaps.org
2013-10-15
The time variation of entropy, as an alternative to the variance, is proposed as a measure of the diffusion rate. It is shown that for linear and time-translationally invariant systems having a large-time limit for the density, at large times the entropy tends exponentially to a constant. For systems with no stationary density, at large times the entropy is logarithmic with a coefficient specifying the speed of the diffusion. As an example, the large-time behaviors of the entropy and the variance are compared for various types of fractional-derivative diffusions.
Holographic entanglement entropy and cyclic cosmology
Frampton, Paul H.
2018-06-01
We discuss a cyclic cosmology in which the visible universe, or introverse, is all that is accessible to an observer while the extroverse represents the total spacetime originating from the time when the dark energy began to dominate. It is argued that entanglement entropy of the introverse is the more appropriate quantity to render infinitely cyclic, rather than the entropy of the total universe. Since vanishing entanglement entropy implies disconnected spacetimes, at the turnaround when the introverse entropy is zero the disconnected extroverse can be jettisoned with impunity.
All Inequalities for the Relative Entropy
Ibinson, Ben; Linden, Noah; Winter, Andreas
2007-01-01
The relative entropy of two n-party quantum states is an important quantity exhibiting, for example, the extent to which the two states are different. The relative entropy of the states formed by reducing two n-party states to a smaller number m of parties is always less than or equal to the relative entropy of the two original n-party states. This is the monotonicity of relative entropy. Using techniques from convex geometry, we prove that monotonicity under restrictions is the only general inequality satisfied by quantum relative entropies. In doing so we make a connection to secret sharing schemes with general access structures: indeed, it turns out that the extremal rays of the cone defined by monotonicity are populated by classical secret sharing schemes. A surprising outcome is that the structure of allowed relative entropy values of subsets of multiparty states is much simpler than the structure of allowed entropy values. And the structure of allowed relative entropy values (unlike that of entropies) is the same for classical probability distributions and quantum states.
Entropy of the electroencephalogram as applied in the M-Entropy S ...
African Journals Online (AJOL)
Background: It has been suggested that spectral entropy of the electroencephalogram as applied in the M-Entropy S/5TM Module (GE Healthcare) does not detect the effects of nitrous oxide (N2O). The aim of this study was to investigate the effect on entropy by graded increases in N2O concentrations in the presence of a ...
Towse, Clare-Louise; Akke, Mikael; Daggett, Valerie
2017-04-27
Molecular dynamics (MD) simulations contain considerable information with regard to the motions and fluctuations of a protein, the magnitude of which can be used to estimate conformational entropy. Here we survey conformational entropy across protein fold space using the Dynameomics database, which represents the largest existing data set of protein MD simulations for representatives of essentially all known protein folds. We provide an overview of MD-derived entropies accounting for all possible degrees of dihedral freedom on an unprecedented scale. Although different side chains might be expected to impose varying restrictions on the conformational space that the backbone can sample, we found that the backbone entropy and side chain size are not strictly coupled. An outcome of these analyses is the Dynameomics Entropy Dictionary, the contents of which have been compared with entropies derived by other theoretical approaches and experiment. As might be expected, the conformational entropies scale linearly with the number of residues, demonstrating that conformational entropy is an extensive property of proteins. The calculated conformational entropies of folding agree well with previous estimates. Detailed analysis of specific cases identifies deviations in conformational entropy from the average values that highlight how conformational entropy varies with sequence, secondary structure, and tertiary fold. Notably, α-helices have lower entropy on average than do β-sheets, and both are lower than coil regions.
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.
Monotonicity of the von Neumann entropy expressed as a function of R\\'enyi entropies
Fannes, Mark
2013-01-01
The von Neumann entropy of a density matrix of dimension d, expressed in terms of the first d-1 integer order R\\'enyi entropies, is monotonically increasing in R\\'enyi entropies of even order and decreasing in those of odd order.
Entanglement entropy of excited states
International Nuclear Information System (INIS)
Alba, Vincenzo; Fagotti, Maurizio; Calabrese, Pasquale
2009-01-01
We study the entanglement entropy of a block of contiguous spins in excited states of spin chains. We consider the XY model in a transverse field and the XXZ Heisenberg spin chain. For the latter, we developed a numerical application of the algebraic Bethe ansatz. We find two main classes of states with logarithmic and extensive behavior in the dimension of the block, characterized by the properties of excitations of the state. This behavior can be related to the locality properties of the Hamiltonian having a given state as the ground state. We also provide several details of the finite size scaling
International Nuclear Information System (INIS)
Kim, Jongkwang; Kim, Sowun; Lee, Kunsang; Kwon, Younghun
2009-01-01
In this article, we investigate the language structure in yeast 16 chromosomes. In order to find it, we use the entropy analysis for codons (or amino acids) of yeast 16 chromosomes, developed in analysis of natural language by Montemurro et al. From the analysis, we can see that there exists a language structure in codons (or amino acids) of yeast 16 chromosomes. Also we find that the grammar structure of amino acids of yeast 16 chromosomes has a deep relationship with secondary structure of protein.
Reference frame for Product Configuration
DEFF Research Database (Denmark)
Ladeby, Klaes Rohde; Oddsson, Gudmundur Valur
2011-01-01
a reference frame for configuration that permits 1) a more precise understanding of a configuration system, 2) a understanding of how the configuration system relate to other systems, and 3) a definition of the basic concepts in configuration. The total configuration system, together with the definition...
Nonthreshold D-brane bound states and black holes with nonzero entropy
International Nuclear Information System (INIS)
Costa, M.S.; Cvetic, M.
1997-01-01
We start with Bogomol close-quote nyi-Prasad-Sommerfield- (BPS) saturated configurations of two (orthogonally) intersecting M-branes and use the electromagnetic duality or dimensional reduction along a boost, in order to obtain new p-brane bound states. In the first case the resulting configurations are interpreted as BPS-saturated nonthreshold bound states of intersecting p-branes, and in the second case as p-branes intersecting at angles and their duals. As a by-product we deduce the enhancement of supersymmetry as the angle approaches zero. We also comment on the D-brane theory describing these new bound states, and a connection between the angle and the world-volume gauge fields of the D-brane system. We use these configurations to find new embeddings of the four- and five-dimensional black holes with nonzero entropy, whose entropy now also depends on the angle and world-volume gauge fields. The corresponding D-brane configuration sheds light on the microscopic entropy of such black holes. copyright 1997 The American Physical Society
Remembering facial configurations.
Bruce, V; Doyle, T; Dench, N; Burton, M
1991-02-01
Eight experiments are reported showing that subjects can remember rather subtle aspects of the configuration of facial features to which they have earlier been exposed. Subjects saw several slightly different configurations (formed by altering the relative placement of internal features of the face) of each of ten different faces, and they were asked to rate the apparent age and masculinity-femininity of each. Afterwards, subjects were asked to select from pairs of faces the configuration which was identical to one previously rated. Subjects responded strongly to the central or "prototypical" configuration of each studied face where this was included as one member of each test pair, whether or not it had been studied (Experiments 1, 2 and 4). Subjects were also quite accurate at recognizing one of the previously encountered extremes of the series of configurations that had been rated (Experiment 3), but when unseen prototypes were paired with seen exemplars subjects' performance was at chance (Experiment 5). Prototype learning of face patterns was shown to be stronger than that for house patterns, though both classes of patterns were affected equally by inversion (Experiment 6). The final two experiments demonstrated that preferences for the prototype could be affected by instructions at study and by whether different exemplars of the same face were shown consecutively or distributed through the study series. The discussion examines the implications of these results for theories of the representation of faces and for instance-based models of memory.
Volume-law scaling for the entanglement entropy in spin-1/2 chains
International Nuclear Information System (INIS)
Vitagliano, G; Riera, A; Latorre, J I
2010-01-01
Entanglement entropy obeys area law scaling for typical physical quantum systems. This may naively be argued to follow from the locality of interactions. We show that this is not the case by constructing an explicit simple spin chain Hamiltonian with nearest-neighbor interactions that presents an entanglement volume scaling law. This non-translational model is contrived to have couplings that force the accumulation of singlet bonds across the half-chain. This configuration of the couplings is suggested by real-space renormalization group arguments. Computation of the entanglement entropy is performed by mapping the system to free fermions and diagonalizing numerically its correlation matrix. An analytical relationship between the entanglement entropy and the Frobenius norm of the correlation matrix is also established. Our result is complementary to the known relationship between non-translational invariant, nearest-neighbor interacting Hamiltonians and quantum Merlin-Arthur (QMA)-complete problems.
Prediction of Missing Streamflow Data using Principle of Information Entropy
Directory of Open Access Journals (Sweden)
Santosa, B.
2014-01-01
Full Text Available Incomplete (missing of streamflow data often occurs. This can be caused by a not continous data recording or poor storage. In this study, missing consecutive streamflow data are predicted using the principle of information entropy. Predictions are performed using the complete monthly streamflow information from the nearby river. Data on average monthly streamflow used as a simulation sample are taken from observation stations Katulampa, Batubeulah, and Genteng, which are the Ciliwung Cisadane river areas upstream. The simulated prediction of missing streamflow data in 2002 and 2003 at Katulampa Station are based on information from Genteng Station, and Batubeulah Station. The mean absolute error (MAE average obtained was 0,20 and 0,21 in 2002 and the MAE average in 2003 was 0,12 and 0,16. Based on the value of the error and pattern of filled gaps, this method has the potential to be developed further.
Clausius entropy for arbitrary bifurcate null surfaces
International Nuclear Information System (INIS)
Baccetti, Valentina; Visser, Matt
2014-01-01
Jacobson’s thermodynamic derivation of the Einstein equations was originally applied only to local Rindler horizons. But at least some parts of that construction can usefully be extended to give meaningful results for arbitrary bifurcate null surfaces. As presaged in Jacobson’s original article, this more general construction sharply brings into focus the questions: is entropy objectively ‘real’? Or is entropy in some sense subjective and observer-dependent? These innocent questions open a Pandora’s box of often inconclusive debate. A consensus opinion, though certainly not universally held, seems to be that Clausius entropy (thermodynamic entropy, defined via a Clausius relation dS=đQ/T) should be objectively real, but that the ontological status of statistical entropy (Shannon or von Neumann entropy) is much more ambiguous, and much more likely to be observer-dependent. This question is particularly pressing when it comes to understanding Bekenstein entropy (black hole entropy). To perhaps further add to the confusion, we shall argue that even the Clausius entropy can often be observer-dependent. In the current article we shall conclusively demonstrate that one can meaningfully assign a notion of Clausius entropy to arbitrary bifurcate null surfaces—effectively defining a ‘virtual Clausius entropy’ for arbitrary ‘virtual (local) causal horizons’. As an application, we see that we can implement a version of the generalized second law (GSL) for this virtual Clausius entropy. This version of GSL can be related to certain (nonstandard) integral variants of the null energy condition. Because the concepts involved are rather subtle, we take some effort in being careful and explicit in developing our framework. In future work we will apply this construction to generalize Jacobson’s derivation of the Einstein equations. (paper)
Gravitational entropies in LTB dust models
International Nuclear Information System (INIS)
Sussman, Roberto A; Larena, Julien
2014-01-01
We consider generic Lemaître–Tolman–Bondi (LTB) dust models to probe the gravitational entropy proposals of Clifton, Ellis and Tavakol (CET) and of Hosoya and Buchert (HB). We also consider a variant of the HB proposal based on a suitable quasi-local scalar weighted average. We show that the conditions for entropy growth for all proposals are directly related to a negative correlation of similar fluctuations of the energy density and Hubble scalar. While this correlation is evaluated locally for the CET proposal, it must be evaluated in a non-local domain dependent manner for the two HB proposals. By looking at the fulfilment of these conditions at the relevant asymptotic limits we are able to provide a well grounded qualitative description of the full time evolution and radial asymptotic scaling of the three entropies in generic models. The following rigorous analytic results are obtained for the three proposals: (i) entropy grows when the density growing mode is dominant, (ii) all ever-expanding hyperbolic models reach a stable terminal equilibrium characterized by an inhomogeneous entropy maximum in their late time evolution; (iii) regions with decaying modes and collapsing elliptic models exhibit unstable equilibria associated with an entropy minimum (iv) near singularities the CET entropy diverges while the HB entropies converge; (v) the CET entropy converges for all models in the radial asymptotic range, whereas the HB entropies only converge for models asymptotic to a Friedmann–Lemaître–Robertson–Walker background. The fact that different independent proposals yield fairly similar conditions for entropy production, time evolution and radial scaling in generic LTB models seems to suggest that their common notion of a ‘gravitational entropy’ may be a theoretically robust concept applicable to more general spacetimes. (paper)
A global algorithm for estimating Absolute Salinity
McDougall, T. J.; Jackett, D. R.; Millero, F. J.; Pawlowicz, R.; Barker, P. M.
2012-12-01
The International Thermodynamic Equation of Seawater - 2010 has defined the thermodynamic properties of seawater in terms of a new salinity variable, Absolute Salinity, which takes into account the spatial variation of the composition of seawater. Absolute Salinity more accurately reflects the effects of the dissolved material in seawater on the thermodynamic properties (particularly density) than does Practical Salinity. When a seawater sample has standard composition (i.e. the ratios of the constituents of sea salt are the same as those of surface water of the North Atlantic), Practical Salinity can be used to accurately evaluate the thermodynamic properties of seawater. When seawater is not of standard composition, Practical Salinity alone is not sufficient and the Absolute Salinity Anomaly needs to be estimated; this anomaly is as large as 0.025 g kg-1 in the northernmost North Pacific. Here we provide an algorithm for estimating Absolute Salinity Anomaly for any location (x, y, p) in the world ocean. To develop this algorithm, we used the Absolute Salinity Anomaly that is found by comparing the density calculated from Practical Salinity to the density measured in the laboratory. These estimates of Absolute Salinity Anomaly however are limited to the number of available observations (namely 811). In order to provide a practical method that can be used at any location in the world ocean, we take advantage of approximate relationships between Absolute Salinity Anomaly and silicate concentrations (which are available globally).
Beltramello, O
In order to enable Technical Coordination to manage the detector configuration and to be aware of all changes in this configuration, a baseline of the envelopes has been created in April 2001. Fifteen system and multi-system envelope drawings have been approved and baselined. An EDMS file is associated with each approved envelope, which provides a list of the current known unsolved conflicts related to the envelope and a list of remaining drawing inconsistencies to be corrected. The envelope status with the associated drawings and EDMS file can be found on the web at this adress: http://atlasinfo.cern.ch/Atlas/TCOORD/Activities/Installation/Configuration/ Any modification in the baseline has to be requested via the Engineering Change Requests. The procedure can be found under: http://atlasinfo.cern.ch/Atlas/TCOORD/Activities/TcOffice/Quality/ECR/ TC will review all the systems envelopes in the near future and manage conflict resolution with the collaboration of the systems.
The LHCb configuration database
Abadie, L; Van Herwijnen, Eric; Jacobsson, R; Jost, B; Neufeld, N
2005-01-01
The aim of the LHCb configuration database is to store information about all the controllable devices of the detector. The experiment's control system (that uses PVSS ) will configure, start up and monitor the detector from the information in the configuration database. The database will contain devices with their properties, connectivity and hierarchy. The ability to store and rapidly retrieve huge amounts of data, and the navigability between devices are important requirements. We have collected use cases to ensure the completeness of the design. Using the entity relationship modelling technique we describe the use cases as classes with attributes and links. We designed the schema for the tables using relational diagrams. This methodology has been applied to the TFC (switches) and DAQ system. Other parts of the detector will follow later. The database has been implemented using Oracle to benefit from central CERN database support. The project also foresees the creation of tools to populate, maintain, and co...
Absolute configuration of alpha- and beta-pinene in essential oils of two Nigella species
Czech Academy of Sciences Publication Activity Database
Valterová, Irena; Klouček, P.; Kokoška, L.
2009-01-01
Roč. 75, č. 9 (2009), s. 1020-1020 ISSN 0032-0943. [International Congress and Annual Meeting of the Society for Medicinal Plant and Natural Product Research /57./. 16.08.2009-20.08.2009, Geneva] Institutional research plan: CEZ:AV0Z40550506 Keywords : Ranunculaceae * monoterpenes * Nigella nigellastrum * Nigella arvensis Subject RIV: CC - Organic Chemistry
Absolute Configuration Determination of a Taxol Precursor Based on Raman Optical Activity Spectra
Czech Academy of Sciences Publication Activity Database
Profant, V.; Jegorov, A.; Bouř, Petr; Baumruk, V.
2017-01-01
Roč. 121, č. 7 (2017), s. 1544-1551 ISSN 1520-6106 R&D Projects: GA ČR(CZ) GA16-05935S Institutional support: RVO:61388963 Keywords : vibrational circular dichroism * polarized light * molecules Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 3.177, year: 2016
Czech Academy of Sciences Publication Activity Database
Li, X.; Hopmann, K. H.; Hudecová, Jana; Stensen, W.; Novotná, J.; Urbanová, M.; Svendsen, J. S.; Bouř, Petr; Ruud, K.
2012-01-01
Roč. 116, č. 10 (2012), s. 2554-2563 ISSN 1089-5639 R&D Projects: GA ČR GAP208/11/0105; GA MŠk(CZ) LH11033 Grant - others:AV ČR(CZ) M200550902 Institutional research plan: CEZ:AV0Z40550506 Keywords : cyclic dipeptide * vibrational otpical activity * density functional theory * dispersion * electronic circular dichroism Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.771, year: 2012
Energy Technology Data Exchange (ETDEWEB)
Kim, Mihyang; Han, Jaehong [Chung-Ang Univ., Seoul (Korea, Republic of)
2014-06-15
We have elucidated stereochemistry of (-)-2-HPPA. Determination of (R)-2-HPPA stereochemistry also provided stereochemical information of genistein metabolism. Considering the stereochemistry of 2-HPPA, the precursor of (R)-2-HPPA should be (R)-6'-hydroxy-O-DMA. Besides, it is clear that only (S)-dihydrogenistein is the possible precursor of (R)-6'-hydroxy-O-DMA. Therefore, genistein metabolism is suggested to follow the same stereochemical pathway like daidzein. Biotransformation of natural products by human intestinal bacteria has recently drawn a significant interest, due to the emerging strong correlation between gut microbiota and human health. Microbial metabolism of natural products by intestinal bacteria in small intestine and colon proceeds the phase I and II xenobiotic metabolisms in the liver. The metabolites were found to exhibit different biological activities, and affect human etiology. For example, many beneficial effects of dietary polyphenols in human health are attributed to the microbial metabolites produced by intestinal bacteria and the modulation of gut microbiota composition.
International Nuclear Information System (INIS)
Kim, Mihyang; Han, Jaehong
2014-01-01
We have elucidated stereochemistry of (-)-2-HPPA. Determination of (R)-2-HPPA stereochemistry also provided stereochemical information of genistein metabolism. Considering the stereochemistry of 2-HPPA, the precursor of (R)-2-HPPA should be (R)-6'-hydroxy-O-DMA. Besides, it is clear that only (S)-dihydrogenistein is the possible precursor of (R)-6'-hydroxy-O-DMA. Therefore, genistein metabolism is suggested to follow the same stereochemical pathway like daidzein. Biotransformation of natural products by human intestinal bacteria has recently drawn a significant interest, due to the emerging strong correlation between gut microbiota and human health. Microbial metabolism of natural products by intestinal bacteria in small intestine and colon proceeds the phase I and II xenobiotic metabolisms in the liver. The metabolites were found to exhibit different biological activities, and affect human etiology. For example, many beneficial effects of dietary polyphenols in human health are attributed to the microbial metabolites produced by intestinal bacteria and the modulation of gut microbiota composition
Czech Academy of Sciences Publication Activity Database
Li, X.; Hopmann, K. H.; Hudecová, Jana; Isaksson, J.; Novotná, J.; Stensen, W.; Andrushchenko, Valery; Urbanová, M.; Svendsen, J. S.; Bouř, Petr; Ruud, K.
2013-01-01
Roč. 117, č. 8 (2013), s. 1721-1736 ISSN 1089-5639 R&D Projects: GA MŠk(CZ) LH11033; GA ČR GAP208/10/0559; GA ČR GAP208/11/0105 Grant - others:Rada Programu interní podpory projektů mezinárodní spolupráce AV ČR(CZ) M200550902 Institutional support: RVO:61388963 Keywords : density-functional theory * Raman optical activity * vibrational circular dichroism * residual dipolar couplings * crystal structure Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.775, year: 2013
Entropy Evolution and Uncertainty Estimation with Dynamical Systems
Directory of Open Access Journals (Sweden)
X. San Liang
2014-06-01
Full Text Available This paper presents a comprehensive introduction and systematic derivation of the evolutionary equations for absolute entropy H and relative entropy D, some of which exist sporadically in the literature in different forms under different subjects, within the framework of dynamical systems. In general, both H and D are dissipated, and the dissipation bears a form reminiscent of the Fisher information; in the absence of stochasticity, dH/dt is connected to the rate of phase space expansion, and D stays invariant, i.e., the separation of two probability density functions is always conserved. These formulas are validated with linear systems, and put to application with the Lorenz system and a large-dimensional stochastic quasi-geostrophic flow problem. In the Lorenz case, H falls at a constant rate with time, implying that H will eventually become negative, a situation beyond the capability of the commonly used computational technique like coarse-graining and bin counting. For the stochastic flow problem, it is first reduced to a computationally tractable low-dimensional system, using a reduced model approach, and then handled through ensemble prediction. Both the Lorenz system and the stochastic flow system are examples of self-organization in the light of uncertainty reduction. The latter particularly shows that, sometimes stochasticity may actually enhance the self-organization process.
Oxygen configurations in silica
International Nuclear Information System (INIS)
Chelikowsky, James R.; Chadi, D. J.; Binggeli, N.
2000-01-01
We propose a transition state for oxygen in silica. This state is produced by the insertion of an oxygen molecule into the Si-O-Si bond, i.e., it consists of producing a Si-O-O-O-Si bond. This state allows molecular oxygen diffusion in silica without breaking the molecular O 2 bond and it is energetically more stable than a peroxy configuration. This configuration may allow for exchange of molecular oxygen with the oxygen in the silica framework. (c) 2000 The American Physical Society
Some relations between entropy and approximation numbers
Institute of Scientific and Technical Information of China (English)
郑志明
1999-01-01
A general result is obtained which relates the entropy numbers of compact maps on Hilbert space to its approximation numbers. Compared with previous works in this area, it is particularly convenient for dealing with the cases where the approximation numbers decay rapidly. A nice estimation between entropy and approximation numbers for noncompact maps is given.
Chemical Engineering Students' Ideas of Entropy
Haglund, Jesper; Andersson, Staffan; Elmgren, Maja
2015-01-01
Thermodynamics, and in particular entropy, has been found to be challenging for students, not least due to its abstract character. Comparisons with more familiar and concrete domains, by means of analogy and metaphor, are commonly used in thermodynamics teaching, in particular the metaphor "entropy is disorder." However, this particular…
Invariant of dynamical systems: A generalized entropy
International Nuclear Information System (INIS)
Meson, A.M.; Vericat, F.
1996-01-01
In this work the concept of entropy of a dynamical system, as given by Kolmogorov, is generalized in the sense of Tsallis. It is shown that this entropy is an isomorphism invariant, being complete for Bernoulli schemes. copyright 1996 American Institute of Physics
Entropy and Certainty in Lossless Data Compression
Jacobs, James Jay
2009-01-01
Data compression is the art of using encoding techniques to represent data symbols using less storage space compared to the original data representation. The encoding process builds a relationship between the entropy of the data and the certainty of the system. The theoretical limits of this relationship are defined by the theory of entropy in…
Problems in black-hole entropy interpretation
International Nuclear Information System (INIS)
Liberati, S.
1997-01-01
In this work some proposals for black-hole entropy interpretation are exposed and investigated. In particular, the author will firstly consider the so-called 'entanglement entropy' interpretation, in the framework of the brick wall model and the divergence problem arising in the one-loop calculations of various thermodynamical quantities, like entropy, internal energy and heat capacity. It is shown that the assumption of equality of entanglement entropy and Bekenstein-Hawking one appears to give inconsistent results. These will be a starting point for a different interpretation of black.hole entropy based on peculiar topological structures of manifolds with 'intrinsic' thermodynamical features. It is possible to show an exact relation between black-hole gravitational entropy and topology of these Euclidean space-times. the expression for the Euler characteristic, through the Gauss-Bonnet integral, and the one for entropy for gravitational instantons are proposed in a form which makes the relation between these self-evident. Using this relation he propose a generalization of the Bekenstein-Hawking entropy in which the former and Euler characteristic are related in the equation S = χA / 8. Finally, he try to expose some conclusions and hypotheses about possible further development of this research
Ehrenfest's Lottery--Time and Entropy Maximization
Ashbaugh, Henry S.
2010-01-01
Successful teaching of the Second Law of Thermodynamics suffers from limited simple examples linking equilibrium to entropy maximization. I describe a thought experiment connecting entropy to a lottery that mixes marbles amongst a collection of urns. This mixing obeys diffusion-like dynamics. Equilibrium is achieved when the marble distribution is…
Does black-hole entropy make sense
International Nuclear Information System (INIS)
Wilkins, D.
1979-01-01
Bekenstein and Hawking saved the second law of thermodynamics near a black hole by assigning to the hole an entropy Ssub(h) proportional to the area of its event horizon. It is tempting to assume that Ssub(h) possesses all the features commonly associated with the physical entropy. Kundt has shown, however, that Ssub(h) violates several reasonable physical expectations. This criticism is reviewed, augmenting it as follows: (a) Ssub(h) is a badly behaved state function requiring knowledge of the hole's future history; and (b) close analogs of event horizons in other space-times do not possess an 'entropy'. These questions are also discussed: (c) Is Ssub(h) suitable for all regions of a black-hole space-time. And (b) should Ssub(h) be attributed to the exterior of a white hole. One can retain Ssub(h) for the interior (respectively, exterior) of a black (respectively, white) hole, but is rejected as contrary to the information-theoretic derivation of horizon entropy given by Berkenstein. The total entropy defined by Kundt (all ordinary entropy on space-section cutting through the hole, no horizon term) and that of Bekenstein-Hawking (ordinary entropy outside horizon plus horizon term) appear to be complementary concepts with separate domains of validity. In the most natural choice, an observer inside a black hole will use Kundt's entropy, and one remaining outside that of Bekenstein-Hawking. (author)
On the Conditional Entropy of Wireless Networks
DEFF Research Database (Denmark)
Coon, Justin P.; Badiu, Mihai Alin; Gündüz, Deniz
2018-01-01
The characterization of topological uncertainty in wireless networks using the formalism of graph entropy has received interest in the spatial networks community. In this paper, we develop lower bounds on the entropy of a wireless network by conditioning on potential network observables. Two appr...... a homogeneous binomial point process in this work) and the network topology....
Towards operational interpretations of generalized entropies
DEFF Research Database (Denmark)
Topsøe, Flemming
Operationelle fortolkninger af nye entropimål, f.eks. af Tsallis entropi, angives med udgangspunkt i erkendelsesteoretiske betragtninger.......Operationelle fortolkninger af nye entropimål, f.eks. af Tsallis entropi, angives med udgangspunkt i erkendelsesteoretiske betragtninger....
Quantum aspects of black hole entropy
Indian Academy of Sciences (India)
Quantum corrections to the semiclassical Bekenstein–Hawking area law for black hole entropy, obtained within the quantum geometry framework, are treated in some detail. Their ramiﬁcation for the holographic entropy bound for bounded stationary spacetimes is discussed. Four dimensional supersymmetric extremal black ...
Entropy Generation in a Chemical Reaction
Miranda, E. N.
2010-01-01
Entropy generation in a chemical reaction is analysed without using the general formalism of non-equilibrium thermodynamics at a level adequate for advanced undergraduates. In a first approach to the problem, the phenomenological kinetic equation of an elementary first-order reaction is used to show that entropy production is always positive. A…
The Thermal Entropy Density of Spacetime
Directory of Open Access Journals (Sweden)
Rongjia Yang
2013-01-01
Full Text Available Introducing the notion of thermal entropy density via the first law of thermodynamics and assuming the Einstein equation as an equation of thermal state, we obtain the thermal entropy density of any arbitrary spacetime without assuming a temperature or a horizon. The results confirm that there is a profound connection between gravity and thermodynamics.
Holographic entanglement entropy in Lovelock gravities
de Boer, J.; Kulaxizi, M.; Parnachev, A.
2011-01-01
We study entanglement entropies of simply connected surfaces in field theories dual to Lovelock gravities. We consider Gauss-Bonnet and cubic Lovelock gravities in detail. In the conformal case the logarithmic terms in the entanglement entropy are governed by the conformal anomalies of the CFT; we
Entropies, Partitionings and Heart Rate Variability
Czech Academy of Sciences Publication Activity Database
Paluš, Milan; Zebrowski, J.
2009-01-01
Roč. 51, č. 2 (2009), s. 65-72 ISSN 0001-7604 Institutional research plan: CEZ:AV0Z10300504 Keywords : coarse-grained entropy rate * HR variability * entropy Subject RIV: BB - Applied Statistics, Operational Research http://www.activitas.org/index.php/nervosa/article/view/25
The improvement of Clausius entropy and its application in entropy analysis
Institute of Scientific and Technical Information of China (English)
WU Jing; GUO ZengYuan
2008-01-01
The defects of Cleusius entropy which Include s premise of reversible process and a process quantlty of heat in Its definition are discussed in this paper. Moreover, the heat temperature quotient under reversible conditions, i.e. (δQ/T)rev, is essentially a process quantity although it is numerically equal to the entropy change. The sum of internal energy temperature quotient and work temperature quotient is defined as the improved form of Clausius entropy and it can be further proved to be a state funcllon. Unlike Clausius entropy, the improved deflnltion consists of system properties wlthout premise just like other state functions, for example, pressure p and enthalpy h, etc. it is unnecessary to invent reversible paths when calculating entropy change for irreversible processes based on the improved form of entropy since it is independent of process. Furthermore, entropy balance equations for internally and externally irreversible processes are deduced respectively based on the concepts of thermal reservoir entropy transfer and system entropy transfer. Finally, some examples are presented to show that the improved deflnitlon of Clausius entropy provides a clear concept as well as a convenient method for en-tropy change calculation.
Informational Entropy and Bridge Scour Estimation under Complex Hydraulic Scenarios
Pizarro, Alonso; Link, Oscar; Fiorentino, Mauro; Samela, Caterina; Manfreda, Salvatore
2017-04-01
Bridges are important for society because they allow social, cultural and economic connectivity. Flood events can compromise the safety of bridge piers up to the complete collapse. The Bridge Scour phenomena has been described by empirical formulae deduced from hydraulic laboratory experiments. The range of applicability of such models is restricted by the specific hydraulic conditions or flume geometry used for their derivation (e.g., water depth, mean flow velocity, pier diameter and sediment properties). We seek to identify a general formulation able to capture the main dynamic of the process in order to cover a wide range of hydraulic and geometric configuration, allowing to extend our analysis in different contexts. Therefore, exploiting the Principle of Maximum Entropy (POME) and applying it on the recently proposed dimensionless Effective flow work, W*, we derived a simple model characterized by only one parameter. The proposed Bridge Scour Entropic (BRISENT) model shows good performances under complex hydraulic conditions as well as under steady-state flow. Moreover, the model was able to capture the evolution of scour in several hydraulic configurations even if the model contains only one parameter. Furthermore, results show that the model parameter is controlled by the geometric configurations of the experiment. This offers a possible strategy to obtain a priori model parameter calibration. The BRISENT model represents a good candidate for estimating the time-dependent scour depth under complex hydraulic scenarios. The authors are keen to apply this idea for describing the scour behavior during a real flood event. Keywords: Informational entropy, Sediment transport, Bridge pier scour, Effective flow work.
Analysis of complex time series using refined composite multiscale entropy
International Nuclear Information System (INIS)
Wu, Shuen-De; Wu, Chiu-Wen; Lin, Shiou-Gwo; Lee, Kung-Yen; Peng, Chung-Kang
2014-01-01
Multiscale entropy (MSE) is an effective algorithm for measuring the complexity of a time series that has been applied in many fields successfully. However, MSE may yield an inaccurate estimation of entropy or induce undefined entropy because the coarse-graining procedure reduces the length of a time series considerably at large scales. Composite multiscale entropy (CMSE) was recently proposed to improve the accuracy of MSE, but it does not resolve undefined entropy. Here we propose a refined composite multiscale entropy (RCMSE) to improve CMSE. For short time series analyses, we demonstrate that RCMSE increases the accuracy of entropy estimation and reduces the probability of inducing undefined entropy.
On S-mixing entropy of quantum channels
Mukhamedov, Farrukh; Watanabe, Noboru
2018-06-01
In this paper, an S-mixing entropy of quantum channels is introduced as a generalization of Ohya's S-mixing entropy. We investigate several properties of the introduced entropy. Moreover, certain relations between the S-mixing entropy and the existing map and output entropies of quantum channels are investigated as well. These relations allowed us to find certain connections between separable states and the introduced entropy. Hence, there is a sufficient condition to detect entangled states. Moreover, several properties of the introduced entropy are investigated. Besides, entropies of qubit and phase-damping channels are calculated.
Shannon versus Kullback-Leibler entropies in nonequilibrium random motion
International Nuclear Information System (INIS)
Garbaczewski, Piotr
2005-01-01
We analyze dynamical properties of the Shannon information entropy of a continuous probability distribution, which is driven by a standard diffusion process. This entropy choice is confronted with another option, employing the conditional Kullback-Leibler entropy. Both entropies discriminate among various probability distributions, either statically or in the time domain. An asymptotic approach towards equilibrium is typically monotonic in terms of the Kullback entropy. The Shannon entropy time rate needs not to be positive and is a sensitive indicator of the power transfer processes (removal/supply) due to an active environment. In the case of Smoluchowski diffusions, the Kullback entropy time rate coincides with the Shannon entropy 'production' rate
On the way towards a generalized entropy maximization procedure
International Nuclear Information System (INIS)
Bagci, G. Baris; Tirnakli, Ugur
2009-01-01
We propose a generalized entropy maximization procedure, which takes into account the generalized averaging procedures and information gain definitions underlying the generalized entropies. This novel generalized procedure is then applied to Renyi and Tsallis entropies. The generalized entropy maximization procedure for Renyi entropies results in the exponential stationary distribution asymptotically for q element of (0,1] in contrast to the stationary distribution of the inverse power law obtained through the ordinary entropy maximization procedure. Another result of the generalized entropy maximization procedure is that one can naturally obtain all the possible stationary distributions associated with the Tsallis entropies by employing either ordinary or q-generalized Fourier transforms in the averaging procedure.
What is the entropy of the universe?
International Nuclear Information System (INIS)
Frampton, Paul H; Hsu, Stephen D H; Reeb, David; Kephart, Thomas W
2009-01-01
Standard calculations suggest that the entropy of our universe is dominated by black holes, whose entropy is of order their area in Planck units, although they comprise only a tiny fraction of its total energy. Statistical entropy is the logarithm of the number of microstates consistent with the observed macroscopic properties of a system, hence a measure of uncertainty about its precise state. Therefore, assuming unitarity in black hole evaporation, the standard results suggest that the largest uncertainty in the future quantum state of the universe is due to the Hawking radiation from evaporating black holes. However, the entropy of the matter precursors to astrophysical black holes is enormously less than that given by area entropy. If unitarity relates the future radiation states to the black hole precursor states, then the standard results are highly misleading, at least for an observer that can differentiate the individual states of the Hawking radiation.
What is the entropy of the universe?
Energy Technology Data Exchange (ETDEWEB)
Frampton, Paul H [Department of Physics and Astronomy, UNC-Chapel Hill, NC 27599 (United States); Hsu, Stephen D H; Reeb, David [Institute of Theoretical Science, University of Oregon, Eugene, OR 97403 (United States); Kephart, Thomas W, E-mail: frampton@physics.unc.ed, E-mail: hsu@uoregon.ed, E-mail: tom.kephart@gmail.co, E-mail: dreeb@uoregon.ed [Department of Physics and Astronomy, Vanderbilt University, Nashville, TN 37235 (United States)
2009-07-21
Standard calculations suggest that the entropy of our universe is dominated by black holes, whose entropy is of order their area in Planck units, although they comprise only a tiny fraction of its total energy. Statistical entropy is the logarithm of the number of microstates consistent with the observed macroscopic properties of a system, hence a measure of uncertainty about its precise state. Therefore, assuming unitarity in black hole evaporation, the standard results suggest that the largest uncertainty in the future quantum state of the universe is due to the Hawking radiation from evaporating black holes. However, the entropy of the matter precursors to astrophysical black holes is enormously less than that given by area entropy. If unitarity relates the future radiation states to the black hole precursor states, then the standard results are highly misleading, at least for an observer that can differentiate the individual states of the Hawking radiation.
Entropy of black holes with multiple horizons
Directory of Open Access Journals (Sweden)
Yun He
2018-05-01
Full Text Available We examine the entropy of black holes in de Sitter space and black holes surrounded by quintessence. These black holes have multiple horizons, including at least the black hole event horizon and a horizon outside it (cosmological horizon for de Sitter black holes and “quintessence horizon” for the black holes surrounded by quintessence. Based on the consideration that the two horizons are not independent each other, we conjecture that the total entropy of these black holes should not be simply the sum of entropies of the two horizons, but should have an extra term coming from the correlations between the two horizons. Different from our previous works, in this paper we consider the cosmological constant as the variable and employ an effective method to derive the explicit form of the entropy. We also try to discuss the thermodynamic stabilities of these black holes according to the entropy and the effective temperature.
Constant conditional entropy and related hypotheses
International Nuclear Information System (INIS)
Ferrer-i-Cancho, Ramon; Dębowski, Łukasz; Moscoso del Prado Martín, Fermín
2013-01-01
Constant entropy rate (conditional entropies must remain constant as the sequence length increases) and uniform information density (conditional probabilities must remain constant as the sequence length increases) are two information theoretic principles that are argued to underlie a wide range of linguistic phenomena. Here we revise the predictions of these principles in the light of Hilberg’s law on the scaling of conditional entropy in language and related laws. We show that constant entropy rate (CER) and two interpretations for uniform information density (UID), full UID and strong UID, are inconsistent with these laws. Strong UID implies CER but the reverse is not true. Full UID, a particular case of UID, leads to costly uncorrelated sequences that are totally unrealistic. We conclude that CER and its particular cases are incomplete hypotheses about the scaling of conditional entropies. (letter)
Entropy of black holes with multiple horizons
He, Yun; Ma, Meng-Sen; Zhao, Ren
2018-05-01
We examine the entropy of black holes in de Sitter space and black holes surrounded by quintessence. These black holes have multiple horizons, including at least the black hole event horizon and a horizon outside it (cosmological horizon for de Sitter black holes and "quintessence horizon" for the black holes surrounded by quintessence). Based on the consideration that the two horizons are not independent each other, we conjecture that the total entropy of these black holes should not be simply the sum of entropies of the two horizons, but should have an extra term coming from the correlations between the two horizons. Different from our previous works, in this paper we consider the cosmological constant as the variable and employ an effective method to derive the explicit form of the entropy. We also try to discuss the thermodynamic stabilities of these black holes according to the entropy and the effective temperature.
Entanglement entropy in top-down models
Energy Technology Data Exchange (ETDEWEB)
Jones, Peter A.R.; Taylor, Marika [Mathematical Sciences and STAG Research Centre, University of Southampton,Highfield, Southampton, SO17 1BJ (United Kingdom)
2016-08-26
We explore holographic entanglement entropy in ten-dimensional supergravity solutions. It has been proposed that entanglement entropy can be computed in such top-down models using minimal surfaces which asymptotically wrap the compact part of the geometry. We show explicitly in a wide range of examples that the holographic entanglement entropy thus computed agrees with the entanglement entropy computed using the Ryu-Takayanagi formula from the lower-dimensional Einstein metric obtained from reduction over the compact space. Our examples include not only consistent truncations but also cases in which no consistent truncation exists and Kaluza-Klein holography is used to identify the lower-dimensional Einstein metric. We then give a general proof, based on the Lewkowycz-Maldacena approach, of the top-down entanglement entropy formula.
Entanglement entropy in top-down models
International Nuclear Information System (INIS)
Jones, Peter A.R.; Taylor, Marika
2016-01-01
We explore holographic entanglement entropy in ten-dimensional supergravity solutions. It has been proposed that entanglement entropy can be computed in such top-down models using minimal surfaces which asymptotically wrap the compact part of the geometry. We show explicitly in a wide range of examples that the holographic entanglement entropy thus computed agrees with the entanglement entropy computed using the Ryu-Takayanagi formula from the lower-dimensional Einstein metric obtained from reduction over the compact space. Our examples include not only consistent truncations but also cases in which no consistent truncation exists and Kaluza-Klein holography is used to identify the lower-dimensional Einstein metric. We then give a general proof, based on the Lewkowycz-Maldacena approach, of the top-down entanglement entropy formula.
International Nuclear Information System (INIS)
Kurnia, Jundika C.; Sasmito, Agus P.; Shamim, Tariq; Mujumdar, Arun S.
2016-01-01
Highlights: • Heat transfers of helical coiled tube with several cross section profiles are evaluated. • Helical tubes offer higher heat transfer and lower entropy generation. • Square cross-section generates the highest entropy, followed by ellipse and circular. • Study could serve as a guideline in designing an efficient helical tube heat exchanger. - Abstract: This study evaluates heat transfer performance and entropy generation of laminar flow in coiled tubes with various cross-sections geometries i.e. circular, ellipse and square, relatives to the straight tubes of similar cross-sections. A computational fluid dynamics model is developed and validated against empirical correlations. Good agreement is obtained within range of Reynolds and Dean numbers considered. Effect of geometry, wall temperature, Reynolds number and heating/cooling mode were examined. To evaluate the heat transfer performance of the coiled tube configurations, a parameter referred as Figure of Merit (FoM) is defined as the ratio heat transfer rate to the required pumping power. In addition, exergy analysis is carried out to examine the inefficiency of the coiled tube configurations. The results indicate that coiled tubes provide higher heat transfer rate. In addition, it was found to be more efficient as reflected by lower entropy generation as compared to straight tubes. Among the studied cross-section, square cross-section generates the highest entropy, followed by ellipse and circular counterpart. Entropy production from heat transfer contribution is two order-of-magnitude higher than that of entropy contribution from viscous dissipation. Cooling case produces slightly higher entropy than heating counterpart. Finally, this study can provide practical guideline to design more efficient coiled heat exchanger.
The absolute environmental performance of buildings
DEFF Research Database (Denmark)
Brejnrod, Kathrine Nykjær; Kalbar, Pradip; Petersen, Steffen
2017-01-01
Our paper presents a novel approach for absolute sustainability assessment of a building's environmental performance. It is demonstrated how the absolute sustainable share of the earth carrying capacity of a specific building type can be estimated using carrying capacity based normalization factors....... A building is considered absolute sustainable if its annual environmental burden is less than its share of the earth environmental carrying capacity. Two case buildings – a standard house and an upcycled single-family house located in Denmark – were assessed according to this approach and both were found...... to exceed the target values of three (almost four) of the eleven impact categories included in the study. The worst-case excess was for the case building, representing prevalent Danish building practices, which utilized 1563% of the Climate Change carrying capacity. Four paths to reach absolute...
Absolute calibration technique for spontaneous fission sources
International Nuclear Information System (INIS)
Zucker, M.S.; Karpf, E.
1984-01-01
An absolute calibration technique for a spontaneously fissioning nuclide (which involves no arbitrary parameters) allows unique determination of the detector efficiency for that nuclide, hence of the fission source strength
MEAN OF MEDIAN ABSOLUTE DERIVATION TECHNIQUE MEAN ...
African Journals Online (AJOL)
eobe
development of mean of median absolute derivation technique based on the based on the based on .... of noise mean to estimate the speckle noise variance. Noise mean property ..... Foraging Optimization,” International Journal of. Advanced ...
Stirling Engine Configuration Selection
Directory of Open Access Journals (Sweden)
Jose Egas
2018-03-01
Full Text Available Unlike internal combustion engines, Stirling engines can be designed to work with many drive mechanisms based on the three primary configurations, alpha, beta and gamma. Hundreds of different combinations of configuration and mechanical drives have been proposed. Few succeed beyond prototypes. A reason for poor success is the use of inappropriate configuration and drive mechanisms, which leads to low power to weight ratio and reduced economic viability. The large number of options, the lack of an objective comparison method, and the absence of a selection criteria force designers to make random choices. In this article, the pressure—volume diagrams and compression ratios of machines of equal dimensions, using the main (alpha, beta and gamma crank based configurations as well as rhombic drive and Ross yoke mechanisms, are obtained. The existence of a direct relation between the optimum compression ratio and the temperature ratio is derived from the ideal Stirling cycle, and the usability of an empirical low temperature difference compression ratio equation for high temperature difference applications is tested using experimental data. It is shown that each machine has a different compression ratio, making it more or less suitable for a specific application, depending on the temperature difference reachable.
Global Value Chain Configuration
DEFF Research Database (Denmark)
Hernandez, Virginia; Pedersen, Torben
2017-01-01
modes chosen and the different ways of coordinating them. We also examine the outcomes of a global value chain configuration in terms of performance and upgrading. Our aim is to review the state of the art of these issues, identify research gaps and suggest new lines for future research that would...
Inclusive Services Innovation Configuration
Holdheide, Lynn R.; Reschly, Daniel J.
2011-01-01
Teacher preparation to deliver inclusive services to students with disabilities is increasingly important because of changes in law and policy emphasizing student access to, and achievement in, the general education curriculum. This innovation configuration identifies the components of inclusive services that should be incorporated in teacher…
Ansible configuration management
Hall, Daniel
2015-01-01
This book is intended for anyone who wants to learn Ansible starting from the basics. Some experience of how to set up and configure Linux machines and a working knowledge of BIND, MySQL, and other Linux daemons is expected.
Entropy of uremia and dialysis technology.
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.
Absolute spectrophotometry of Nova Cygni 1975
International Nuclear Information System (INIS)
Kontizas, E.; Kontizas, M.; Smyth, M.J.
1976-01-01
Radiometric photoelectric spectrophotometry of Nova Cygni 1975 was carried out on 1975 August 31, September 2, 3. α Lyr was used as reference star and its absolute spectral energy distribution was used to reduce the spectrophotometry of the nova to absolute units. Emission strengths of Hα, Hβ, Hγ (in W cm -2 ) were derived. The Balmer decrement Hα:Hβ:Hγ was compared with theory, and found to deviate less than had been reported for an earlier nova. (author)
On unified-entropy characterization of quantum channels
International Nuclear Information System (INIS)
Rastegin, A E
2012-01-01
We consider properties of quantum channels with the use of unified entropies. Extremal unravelings of quantum channel with respect to these entropies are examined. The concept of map entropy is extended in terms of the unified entropies. The map (q, s)-entropy is naturally defined as the unified (q, s)-entropy of a rescaled dynamical matrix of given quantum channel. Inequalities of Fannes type are obtained for introduced entropies in terms of both the trace and Frobenius norms of difference between corresponding dynamical matrices. Additivity properties of introduced map entropies are discussed. The known inequality of Lindblad with the entropy exchange is generalized to many of the unified entropies. For the tensor product of a pair of quantum channels, we derive a two-sided estimate on the output entropy of a maximally entangled input state. (paper)
Maximum Entropy: Clearing up Mysteries
Directory of Open Access Journals (Sweden)
Marian GrendÃƒÂ¡r
2001-04-01
Full Text Available Abstract: There are several mystifications and a couple of mysteries pertinent to MaxEnt. The mystifications, pitfalls and traps are set up mainly by an unfortunate formulation of Jaynes' die problem, the cause cÃƒÂ©lÃƒÂ¨bre of MaxEnt. After discussing the mystifications a new formulation of the problem is proposed. Then we turn to the mysteries. An answer to the recurring question 'Just what are we accomplishing when we maximize entropy?' [8], based on MaxProb rationale of MaxEnt [6], is recalled. A brief view on the other mystery: 'What is the relation between MaxEnt and the Bayesian method?' [9], in light of the MaxProb rationale of MaxEnt suggests that there is not and cannot be a conflict between MaxEnt and Bayes Theorem.
International Nuclear Information System (INIS)
Dowker, J S
2013-01-01
I give some scalar field theory calculations on a d-dimensional lune of arbitrary angle, evaluating, numerically, the effective action which is expressed as a simple quadrature, for conformal coupling. Using this, the entanglement and Rényi entropies are computed. Massive fields are also considered and a renormalization to make the (one-loop) effective action vanish for infinite mass is suggested and used, not entirely successfully. However a universal coefficient is derived from the large mass expansion. From the deformation of the corresponding lune result, I conjecture that the effective action on all odd manifolds with a simple conical singularity has an extremum when the singularity disappears. For the round sphere, I show how to convert the quadrature form of the conformal Laplacian determinant into the more usual sum of Riemann ζ-functions (and log 2). (paper)
The improvement of Clausius entropy and its application in entropy analysis
Institute of Scientific and Technical Information of China (English)
2008-01-01
The defects of Clausius entropy which include a premise of reversible process and a process quantity of heat in its definition are discussed in this paper. Moreover, the heat temperature quotient under reversible conditions, i.e. (δQ/T)rev, is essentially a process quantity although it is numerically equal to the entropy change. The sum of internal energy temperature quotient and work temperature quotient is defined as the improved form of Clausius entropy and it can be further proved to be a state function. Unlike Clausius entropy, the improved definition consists of system properties without premise just like other state functions, for example, pressure p and enthalpy h, etc. It is unnecessary to invent reversible paths when calculating entropy change for irreversible processes based on the improved form of entropy since it is independent of process. Furthermore, entropy balance equations for internally and externally irreversible processes are deduced respectively based on the concepts of thermal reservoir entropy transfer and system entropy transfer. Finally, some examples are presented to show that the improved definition of Clausius entropy provides a clear concept as well as a convenient method for en- tropy change calculation.
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.
Murashita, Yûto; Gong, Zongping; Ashida, Yuto; Ueda, Masahito
2017-10-01
The thermodynamics of quantum coherence has attracted growing attention recently, where the thermodynamic advantage of quantum superposition is characterized in terms of quantum thermodynamics. We investigate the thermodynamic effects of quantum coherent driving in the context of the fluctuation theorem. We adopt a quantum-trajectory approach to investigate open quantum systems under feedback control. In these systems, the measurement backaction in the forward process plays a key role, and therefore the corresponding time-reversed quantum measurement and postselection must be considered in the backward process, in sharp contrast to the classical case. The state reduction associated with quantum measurement, in general, creates a zero-probability region in the space of quantum trajectories of the forward process, which causes singularly strong irreversibility with divergent entropy production (i.e., absolute irreversibility) and hence makes the ordinary fluctuation theorem break down. In the classical case, the error-free measurement ordinarily leads to absolute irreversibility, because the measurement restricts classical paths to the region compatible with the measurement outcome. In contrast, in open quantum systems, absolute irreversibility is suppressed even in the presence of the projective measurement due to those quantum rare events that go through the classically forbidden region with the aid of quantum coherent driving. This suppression of absolute irreversibility exemplifies the thermodynamic advantage of quantum coherent driving. Absolute irreversibility is shown to emerge in the absence of coherent driving after the measurement, especially in systems under time-delayed feedback control. We show that absolute irreversibility is mitigated by increasing the duration of quantum coherent driving or decreasing the delay time of feedback control.
Towards operational interpretations of generalized entropies
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.
Towards operational interpretations of generalized entropies
International Nuclear Information System (INIS)
Topsoee, Flemming
2010-01-01
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.
Entropy Generation Analysis of Desalination Technologies
Directory of Open Access Journals (Sweden)
John H. Lienhard V
2011-09-01
Full Text Available Increasing global demand for fresh water is driving the development and implementation of a wide variety of seawater desalination technologies. Entropy generation analysis, and specifically, Second Law efficiency, is an important tool for illustrating the influence of irreversibilities within a system on the required energy input. When defining Second Law efficiency, the useful exergy output of the system must be properly defined. For desalination systems, this is the minimum least work of separation required to extract a unit of water from a feed stream of a given salinity. In order to evaluate the Second Law efficiency, entropy generation mechanisms present in a wide range of desalination processes are analyzed. In particular, entropy generated in the run down to equilibrium of discharge streams must be considered. Physical models are applied to estimate the magnitude of entropy generation by component and individual processes. These formulations are applied to calculate the total entropy generation in several desalination systems including multiple effect distillation, multistage flash, membrane distillation, mechanical vapor compression, reverse osmosis, and humidification-dehumidification. Within each technology, the relative importance of each source of entropy generation is discussed in order to determine which should be the target of entropy generation minimization. As given here, the correct application of Second Law efficiency shows which systems operate closest to the reversible limit and helps to indicate which systems have the greatest potential for improvement.