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Sample records for absolute configurational entropies

  1. Adaptive anisotropic kernels for nonparametric estimation of absolute configurational entropies in high-dimensional configuration spaces.

    Science.gov (United States)

    Hensen, Ulf; Grubmüller, Helmut; Lange, Oliver F

    2009-07-01

    The quasiharmonic approximation is the most widely used estimate for the configurational entropy of macromolecules from configurational ensembles generated from atomistic simulations. This method, however, rests on two assumptions that severely limit its applicability, (i) that a principal component analysis yields sufficiently uncorrelated modes and (ii) that configurational densities can be well approximated by Gaussian functions. In this paper we introduce a nonparametric density estimation method which rests on adaptive anisotropic kernels. It is shown that this method provides accurate configurational entropies for up to 45 dimensions thus improving on the quasiharmonic approximation. When embedded in the minimally coupled subspace framework, large macromolecules of biological interest become accessible, as demonstrated for the 67-residue coldshock protein. PMID:19658735

  2. Estimating absolute configurational entropies of macromolecules: the minimally coupled subspace approach.

    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.

  3. Configurational Entropy Revisited

    Science.gov (United States)

    Lambert, Frank L.

    2007-09-01

    Entropy change is categorized in some prominent general chemistry textbooks as being either positional (configurational) or thermal. In those texts, the accompanying emphasis on the dispersal of matter—independent of energy considerations and thus in discord with kinetic molecular theory—is most troubling. This article shows that the variants of entropy can be treated from a unified viewpoint and argues that to decrease students' confusion about the nature of entropy change these variants of entropy should be merged. Molecular energy dispersal in space is implicit but unfortunately tacit in the cell models of statistical mechanics that develop the configurational entropy change in gas expansion, fluids mixing, or the addition of a non-volatile solute to a solvent. Two factors are necessary for entropy change in chemistry. An increase in thermodynamic entropy is enabled in a process by the motional energy of molecules (that, in chemical reactions, can arise from the energy released from a bond energy change). However, entropy increase is only actualized if the process results in a larger number of arrangements for the system's energy, that is, a final state that involves the most probable distribution for that energy under the new constraints. Positional entropy should be eliminated from general chemistry instruction and, especially benefiting "concrete minded" students, it should be replaced by emphasis on the motional energy of molecules as enabling entropy change.

  4. 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.)

  5. 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.

  6. Configurational entropy in brane-world models

    Science.gov (United States)

    Correa, R. A. C.; da Rocha, Roldão

    2015-11-01

    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.

  7. 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.

  8. Absolute Configuration of the Levocloperastine Fendizoate

    Institute of Scientific and Technical Information of China (English)

    ZHOU Min; YU Kai-Bei; HU Hong-Gang; LI Feng; LONG Yuan-De

    2011-01-01

    Crystal structure of the levocloperastine fendizoate (C80H76Cl2N2O10, C20H25ClNO+· C20H13O4-) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic system, space group P1 with a = 10.1059(18), b = 11.957(2), c = 15.383(3) , α = 104.666(2), β = 90.9700(10), γ = 110.744(2)°, Z = 1, V = 1670.0(5) 3, Dc = 1.289 g/cm3, F(000) = 684, μ(MoKα) = 0.161 mm-1, Mr = 1296.33, the final R = 0.0343 and wR = 0.0676. The cations and anions are linked by the COO…NH hydrogen bonds of 2.709(3) and 2.690(3)  and COO…OH hydrogen bonds of 2.632(3) and 2.631(3) . The configuration of the only one chiral carbon atom in this compound is R(rectus).

  9. The Role of Configurational Entropy in Amorphous Systems

    OpenAIRE

    Kirsten A. Graeser; Patterson, James E.; J. Axel Zeitler; Thomas Rades

    2010-01-01

    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 tempe...

  10. Confirmation of the absolute configuration of (−)-aurantioclavine

    KAUST Repository

    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.

  11. 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.

  12. Synthesis and Absolute Configuration of the Diynediol from Psathyrella scobinacea

    Institute of Scientific and Technical Information of China (English)

    WU Jianzhong; WU Yikang; JIAN Yajun; ZHANG Yihua

    2009-01-01

    All the four isomers of Scobidiynediol (hepta-4,6-diyne-2,3-diol), a natural product isolated from white-rot fungus Psathyrella scobinacea, were synthesized using either (R)-or(S)-lactate as the source of chirality. The rela-tive configurations of the diols were established by NOE experiments performed on the cyclic acetonides. The rela-tive as well as absolute configurations of the natural Scobidiynediol was assigned as (2S,3S) through comparison of the optical rotation and 1H NMR data.

  13. Configurational entropy of hydrogen-disordered ice polymorphs

    CERN Document Server

    Herrero, Carlos P

    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 of different ice phases in the thermodynamic limit (number of molecules N --> infinity). 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 rational...

  14. Efficient Computation of Small-Molecule Configurational Binding Entropy and Free Energy Changes by Ensemble Enumeration.

    Science.gov (United States)

    Silver, Nathaniel W; King, Bracken M; Nalam, Madhavi N L; Cao, Hong; Ali, Akbar; Kiran Kumar Reddy, G S; Rana, Tariq M; Schiffer, Celia A; Tidor, Bruce

    2013-11-12

    Here we present a novel, end-point method using the dead-end-elimination and A* algorithms to efficiently and accurately calculate the change in free energy, enthalpy, and configurational entropy of binding for ligand-receptor association reactions. We apply the new approach to the binding of a series of human immunodeficiency virus (HIV-1) protease inhibitors to examine the effect ensemble reranking has on relative accuracy as well as to evaluate the role of the absolute and relative ligand configurational entropy losses upon binding in affinity differences for structurally related inhibitors. Our results suggest that most thermodynamic parameters can be estimated using only a small fraction of the full configurational space, and we see significant improvement in relative accuracy when using an ensemble versus single-conformer approach to ligand ranking. We also find that using approximate metrics based on the single-conformation enthalpy differences between the global minimum energy configuration in the bound as well as unbound states also correlates well with experiment. Using a novel, additive entropy expansion based on conditional mutual information, we also analyze the source of ligand configurational entropy loss upon binding in terms of both uncoupled per degree of freedom losses as well as changes in coupling between inhibitor degrees of freedom. We estimate entropic free energy losses of approximately +24 kcal/mol, 12 kcal/mol of which stems from loss of translational and rotational entropy. Coupling effects contribute only a small fraction to the overall entropy change (1-2 kcal/mol) but suggest differences in how inhibitor dihedral angles couple to each other in the bound versus unbound states. The importance of accounting for flexibility in drug optimization and design is also discussed.

  15. Configurational entropy in $f(R,T)$ brane models

    CERN Document Server

    Correa, R A C

    2015-01-01

    In this work we investigate generalized theories of gravity in the so-called configurational entropy (CE) context. We show, by means of this information-theoretical measure, that a stricter bound on the parameter of $f(R,T)$ brane models arises from the CE. We find that these bounds are characterized by a valley region in the CE profile, where the entropy is minimal. We argue that the CE measure can open a new role and an important additional approach to select parameters in modified theories of gravitation.

  16. Configurational entropy in f(R,T) brane models

    Energy Technology Data Exchange (ETDEWEB)

    Correa, R.A.C. [Universidade Federal do ABC, CCNH, Santo Andre, Sao Paulo (Brazil); Moraes, P.H.R.S. [ITA, Instituto Tecnologico de Aeronautica, Sao Jose dos Campos, Sao Paulo (Brazil)

    2016-02-15

    In this work we investigate generalized theories of gravity in the so-called configurational entropy (CE) context. We show, by means of this information-theoretical measure, that a stricter bound on the parameter of f(R, T) brane models arises from the CE. We find that these bounds are characterized by a valley region in the CE profile, where the entropy is minimal. We argue that the CE measure can play a new role and might be an important additional approach to selecting parameters in modified theories of gravitation. (orig.)

  17. Absolute configuration and antimicrobial activity of acylhomoserine lactones.

    Science.gov (United States)

    Pomini, Armando M; Marsaioli, Anita J

    2008-06-01

    (S)-N-Heptanoylhomoserine lactone is an uncommon acyl odd-chain natural product employed by many Gram-negative bacteria as a signaling substance in chemical communication mechanisms known as quorum sensing. The absolute configuration determination of the metabolite produced by the phytopathogen Pantoea ananatis Serrano is reported herein. As with all other substances of this class, the lactone moiety possesses S configuration, corroborating the hypothesis that it shares the same biosynthetic pathway as the (S)-N-hexanoylhomoserine lactone and also that some LuxI homologues can accept both hexanoyl- and heptanoyl-ACP as precursors. Evaluation of the antimicrobial activity of enantiomeric acylhomoserine lactones against three Gram-positive bacteria (Bacillus cereus, B. subtilis, and Staphylococcus aureus) revealed important features between absolute configuration and antimicrobial activity. The N-heptanoylhomoserine lactone was considerably less active than the 3-oxo derivatives. Surprisingly, non-natural (R)-N-(3-oxo-octanoyl)homoserine lactone was as active as the S enantiomer against B. cereus, while the synthetic racemic product was less active than either enantiomer. PMID:18465897

  18. 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

  19. Structure and Absolute Configuration of Nyasol and Hinokiresinol via Synthesis and Vibrational Circular Dichroism Spectroscopy

    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...

  20. The viscosity of planetary tholeiitic melts: A configurational entropy model

    Science.gov (United States)

    Sehlke, Alexander; Whittington, Alan G.

    2016-10-01

    The viscosity (η) of silicate melts is a fundamental physical property controlling mass transfer in magmatic systems. Viscosity can span many orders of magnitude, strongly depending on temperature and composition. Several models are available that describe this dependency for terrestrial melts quite well. Planetary basaltic lavas however are distinctly different in composition, being dominantly alkali-poor, iron-rich and/or highly magnesian. We measured the viscosity of 20 anhydrous tholeiitic melts, of which 15 represent known or estimated surface compositions of Mars, Mercury, the Moon, Io and Vesta, by concentric cylinder and parallel plate viscometry. The planetary basalts span a viscosity range of 2 orders of magnitude at liquidus temperatures and 4 orders of magnitude near the glass transition, and can be more or less viscous than terrestrial lavas. We find that current models under- and overestimate superliquidus viscosities by up to 2 orders of magnitude for these compositions, and deviate even more strongly from measured viscosities toward the glass transition. We used the Adam-Gibbs theory (A-G) to relate viscosity (η) to absolute temperature (T) and the configurational entropy of the system at that temperature (Sconf), which is in the form of log η =Ae +Be /TSconf . Heat capacities (CP) for glasses and liquids of our investigated compositions were calculated via available literature models. We show that the A-G theory is applicable to model the viscosity of individual complex tholeiitic melts containing 10 or more major oxides as well or better than the commonly used empirical equations. We successfully modeled the global viscosity data set using a constant Ae of -3.34 ± 0.22 log units and 12 adjustable sub-parameters, which capture the compositional and temperature dependence on melt viscosity. Seven sub-parameters account for the compositional dependence of Be and 5 for Sconf. Our model reproduces the 496 measured viscosity data points with a 1

  1. Turning intractable counting into sampling: Computing the configurational entropy of three-dimensional jammed packings.

    Science.gov (United States)

    Martiniani, Stefano; Schrenk, K Julian; Stevenson, Jacob D; Wales, David J; Frenkel, Daan

    2016-01-01

    We present a numerical calculation of the total number of disordered jammed configurations Ω of N repulsive, three-dimensional spheres in a fixed volume V. To make these calculations tractable, we increase the computational efficiency of the approach of Xu et al. [Phys. Rev. Lett. 106, 245502 (2011)10.1103/PhysRevLett.106.245502] and Asenjo et al. [Phys. Rev. Lett. 112, 098002 (2014)10.1103/PhysRevLett.112.098002] and we extend the method to allow computation of the configurational entropy as a function of pressure. The approach that we use computes the configurational entropy by sampling the absolute volume of basins of attraction of the stable packings in the potential energy landscape. We find a surprisingly strong correlation between the pressure of a configuration and the volume of its basin of attraction in the potential energy landscape. This relation is well described by a power law. Our methodology to compute the number of minima in the potential energy landscape should be applicable to a wide range of other enumeration problems in statistical physics, string theory, cosmology, and machine learning that aim to find the distribution of the extrema of a scalar cost function that depends on many degrees of freedom. PMID:26871142

  2. Turning intractable counting into sampling: Computing the configurational entropy of three-dimensional jammed packings

    Science.gov (United States)

    Martiniani, Stefano; Schrenk, K. Julian; Stevenson, Jacob D.; Wales, David J.; Frenkel, Daan

    2016-01-01

    We present a numerical calculation of the total number of disordered jammed configurations Ω of N repulsive, three-dimensional spheres in a fixed volume V . To make these calculations tractable, we increase the computational efficiency of the approach of Xu et al. [Phys. Rev. Lett. 106, 245502 (2011), 10.1103/PhysRevLett.106.245502] and Asenjo et al. [Phys. Rev. Lett. 112, 098002 (2014), 10.1103/PhysRevLett.112.098002] and we extend the method to allow computation of the configurational entropy as a function of pressure. The approach that we use computes the configurational entropy by sampling the absolute volume of basins of attraction of the stable packings in the potential energy landscape. We find a surprisingly strong correlation between the pressure of a configuration and the volume of its basin of attraction in the potential energy landscape. This relation is well described by a power law. Our methodology to compute the number of minima in the potential energy landscape should be applicable to a wide range of other enumeration problems in statistical physics, string theory, cosmology, and machine learning that aim to find the distribution of the extrema of a scalar cost function that depends on many degrees of freedom.

  3. A simplified confinement method for calculating absolute free energies and free energy and entropy differences.

    Science.gov (United States)

    Ovchinnikov, Victor; Cecchini, Marco; Karplus, Martin

    2013-01-24

    A simple and robust formulation of the path-independent confinement method for the calculation of free energies is presented. The simplified confinement method (SCM) does not require matrix diagonalization or switching off the molecular force field, and has a simple convergence criterion. The method can be readily implemented in molecular dynamics programs with minimal or no code modifications. Because the confinement method is a special case of thermodynamic integration, it is trivially parallel over the integration variable. The accuracy of the method is demonstrated using a model diatomic molecule, for which exact results can be computed analytically. The method is then applied to the alanine dipeptide in vacuum, and to the α-helix ↔ β-sheet transition in a 16-residue peptide modeled in implicit solvent. The SCM requires less effort for the calculation of free energy differences than previous formulations because it does not require computing normal modes. The SCM has a diminished advantage for determining absolute free energy values, because it requires decreasing the MD integration step to obtain accurate results. An approximate confinement procedure is introduced, which can be used to estimate directly the configurational entropy difference between two macrostates, without the need for additional computation of the difference in the free energy or enthalpy. The approximation has convergence properties similar to those of the standard confinement method for the calculation of free energies. The use of the approximation requires about 5 times less wall-clock simulation time than that needed to compute enthalpy differences to similar precision from an MD trajectory. For the biomolecular systems considered in this study, the errors in the entropy approximation are under 10%. Practical applications of the methods to proteins are currently limited to implicit solvent simulations. PMID:23268557

  4. Redetermined structure, intermolecular interactions and absolute configuration of royleanone

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2011-05-01

    Full Text Available The structure of the title diterpenoid, C20H28O3, {systematic name: (4bS,8aS-3-hydroxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-1,4-dione} is confirmed [Eugster et al. (1993. Private communication (refcode HACGUN. CCDC, Union Road, Cambridge] and its packing is now described. Its absolute structure was established by refinement against data collected with Cu radiation: the two stereogenic centres both have S configurations. One cyclohexane ring adopts a chair conformation whereas the other cyclohexane ring is in a half-chair conformation and the benzoquinone ring is slightly twisted. An intramolecular O—H...O hydrogen bond generates an S(5 ring motif. In the crystal, molecules are linked into chains along [010] by O—H...O hydrogen bonds and weak C—H...O interactions. The packing also features C...O [3.131 (3 Å] short contacts.

  5. Topological Research on Standard Absolute Entropies,S(○)298, for Binary Inorganic Compounds

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    For predicting the standard entropy of a binary inorganic compound, two novel connectivity indexes mQ,mG and their converse indexes mQ',mG' based on adjacency matrix of molecular graphs and ionic parameters gi, qi were pro-posed. The qi and gi are defined as qi=(1.1+Zi1.1)/(1.7+ni), gi:(1.4d-Zi)/(0.9+ri+ri-1), where Zi, ni, ri are the charge numbers, the outer electronic shell primary quantum numbers, and the radii of ionic I respectively. The good Quantitative Structure-Property Relationship (QSPR) models for the standard entropies of binary inorganic com-pound can be constructed from 0Q,0Q',1G, and 1G', by using a multivariate linear regression (MLR) method and an artificial neural network (NN) method. The correlation coefficient r, the standard error s, and the average absolute deviation of the MLR model and the NN model are 0.9905, 8.29 J·K-1,mol-1 and 6.48 J·K-1·mol-1, and 0.9960,5.37 J·K-1·mol-1 and 3.90 J·K-1·mol-1, respectively, for 371 binary inorganic compounds (training set). The cross-validation by using the leave-one-out method demonstrates that the MLR model is highly reliable from the point of view of statistics. The correlation coefficients, standard deviations and average absolute deviations of pre-dicted values of the standard entropies of other 185 binary inorganic compounds (test set) are 0.9897, 8.64 J·K-1·mol-1 and 6.84 J·K-1·mol-1, and 0.9957, 5.63 J·K-1·mol-1 and 4.18 J·K-1·mol-1 for the MLR model and the Nnmodel, respectively. The results show that the current method is more effective than literature methods for estimat-ing the standard entropy of a binary inorganic compound. Both MLR and NN methods can provide acceptable mod-els for the prediction of the standard entropies of binary inorganic compounds. The NN model for the standard en-tropies appears to be more reliable than the MLR model.

  6. Configurational Entropy,Diffusivity and Potential Energy Landscape in Liquid Argon

    Institute of Scientific and Technical Information of China (English)

    DUAN Yong-Ping; MA Cong-Xiao; LI Jia-Yun; LI Cong; WANG Dan; LI Mei-Li; SUN Min-Hua

    2009-01-01

    The configurational entropy, diffusion coefficient, dynamics and thermodynamics fragility indices of liquid argon are calculated using molecular dynamics simulations at two densities. The relationship between dynamics and thermodynamics properties is studied. The diffusion coefficient depends linearly on configurational entropy, which is consistent with the hypothesis of Adam-Gibbs. The consistence of dynamics and thermodynamics fragility indices demonstrates that dynamical behaviour is governed by thermodynamics behaviour in glass transition of liquid argon.

  7. A "configurational-entropy-loss" law for the non-Arrhenius relaxation in disordered systems

    CERN Document Server

    Wang, Yi-zhen; Zhang, Jin-xiu

    2012-01-01

    Based on Nowick's self-induced ordering theory, we develop a new configurational-entropy relation to describe the non-Arrhenius temperature(T)-dependent relaxation in disordered systems. Both the configurational-entropy loss and the coupling interaction among relaxing units (RUs) are explicitly introduced in this relation; thus, it offers a novel connection between kinetics and thermodynamics that is different from the Adam-Gibbs (A-G) entropy relation, and it generalizes several well-known currently used relations. The present relation can provide direct and more accurate estimates of (i) the intrinsic activation enthalpy, (ii) the T-evolvement of the systematic configurational entropy loss and (iii) the self-induced ordering temperature Tc, which characterizes the coupling interaction among RUs. Application of the theory to experimental relaxation-time data for typical organic liquids demonstrates its validity.

  8. Antiausterity activity of arctigenin enantiomers: importance of (2R,3R)-absolute configuration.

    Science.gov (United States)

    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. PMID:24660468

  9. Chiral liquid chromatography contribution to the determination of the absolute configuration of enantiomers.

    Science.gov (United States)

    Roussel, Christian; Del Rio, Alberto; Pierrot-Sanders, Johanna; Piras, Patrick; Vanthuyne, Nicolas

    2004-05-28

    The review covers examples in which chiral HPLC, as a source of pure enantiomers, has been combined with classical methods (X-ray, vibrational circular dichroism (VCD), enzymatic resolutions, nuclear magnetic resonance (NMR) techniques, optical rotation, circular dichroism (CD)) for the on- or off-line determination of absolute configuration of enantiomers. Furthermore, it is outlined that chiral HPLC, which associates enantioseparation process and classical purification process, opens new perspectives in the classical determination of absolute configuration by chemical correlation or chemical interconversion methods. The review also contains a discussion about the various approaches to predict the absolute configuration from the retention behavior of the enantiomers on chiral stationary phases (CSPs). Some examples illustrate the advantages and limitations of molecular modeling methods and the use of chiral recognition models. The assumptions underlying some of these methods are critically analyzed and some possible emerging new strategies are outlined. PMID:15214673

  10. Configurational entropy of polar glass formers and the effect of electric field on glass transition

    Science.gov (United States)

    Matyushov, Dmitry V.

    2016-07-01

    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 ργ/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.

  11. Determination of the absolute configuration of sialic acids in gangliosides from the sea cucumber Cucumaria echinata.

    Science.gov (United States)

    Kisa, Fumiaki; Yamada, Koji; Miyamoto, Tomofumi; Inagaki, Masanori; Higuchi, Ryuichi

    2007-07-01

    Enantiomeric pairs of sialic acid, D- and L-NeuAc (N-acetylneuraminic acid), were converted to D- and L-arabinose, respectively, by chemical degradation. Using this method, the absolute configuration of the sialic acid residues, NeuAc and NeuGc (N-glycolylneuraminic acid), in the gangliosides from the sea cucumber Cucumaria echinata was determined to be the D-form. Although naturally occurring sialic acids have been believed to be the D-form on the basis of biosynthetic evidence, this is the first report of the determination of the absolute configuration of the sialic acid residues in gangliosides using chemical methods. PMID:17603199

  12. Synthesis and Determination of Absolute Configuration of a Divergent Polyhydroxy Enyne Compound

    Institute of Scientific and Technical Information of China (English)

    Zhi Jie XUE; Yuan Chao LI

    2005-01-01

    Polyhydroxy enyne compound (+)-(1'S, 2R, 3S, 5S, 6S)-5,6-dimethoxy-5, 6-dimethyl-2-(1'-hydroxylpropyl-2-ne)-3-vinyl-1,4-dioxane has been synthesized from D-(-)-tartaric acid. A new chiral center was established by nucleophilic addition with 87% de. The modified Mosher's method was employed to confirm the absolute configuration of 17, which assigned the S-configuration at the new chiral center.

  13. THREE-DIMENSIONAL ANALYSIS OF SCALE DEPENDENCE OF SUB-MICRON POLYCRYSTALS DUE TO CONFIGURATION ENTROPY

    Institute of Scientific and Technical Information of China (English)

    杨强; 杨卫

    2001-01-01

    The authors proposed a plausible explanation for the deviation of experimental data for sub-micron polycrystals from the Hall-Petch relation by in troducing the configuration entropy. The present paper extends the previous two dimensional analysis to the three-dimensional case. The statistical distribution of dislocation lengths within a spherical grain and the bow-out of dislocations are con sidered. According to Ashby's model, analyses are pursued for the statistically stored dislocations and geometrically necessary dislocations, respectively. It is confirmed that the configuration entropy model can predict the abnormal Hall-Petch depen dence for grain sizes in the sub-micron range.

  14. Communication: Probing the absolute configuration of chiral molecules at aqueous interfaces

    International Nuclear Information System (INIS)

    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

  15. Three Sesquiterpenoid Dimers from Chloranthus japonicus: Absolute Configuration of Chlorahololide A and Related Compounds.

    Science.gov (United States)

    Shi, Xin-Wei; Lu, Qiang-Qiang; Pescitelli, Gennaro; Ivšić, Trpimir; Zhou, Jun-Hui; Gao, Jin-Ming

    2016-02-01

    A novel sesquiterpenoid dimer, named multistalide C (1), together with two known congeners, shizukaols C (2) and D (3), was isolated from the whole plant of Chloranthus japonicus Sieb. The structures of compounds 1-3 were elucidated by extensive HR-ESI-MS, 1D, and 2D NMR spectroscopic analysis. Compounds 1-3 exhibited significant toxic effects on brine shrimp larvae (Artemia salina). The absolute configuration of 1 was established by CD/TDDFT calculations. The related compound chlorahololide A was also reinvestigated. The previous assignment of the absolute configuration of chlorahololide A and several related sesquiterpenoid dimers, based on an incorrect application of the exciton chirality method, is criticized. PMID:26708509

  16. 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.

  17. Enantioselective Total Synthesis of (+)-Steenkrotin A and Determination of Its Absolute Configuration.

    Science.gov (United States)

    Pan, Saiyong; Gao, Beiling; Hu, Jialei; Xuan, Jun; Xie, Hujun; Ding, Hanfeng

    2016-01-18

    The first enantioselective total synthesis of (+)-steenkrotin A has been achieved in 18 steps and 4.2 % overall yield. The key features of the strategy entail a Rh-catalyzed O-H bond insertion followed by an intramolecular carbonyl-ene reaction, two sequential SmI2 -mediated Ueno-Stork and ketyl-olefin cyclizations, and a cascade intramolecular aldol condensation/vinylogous retro-aldol/aldol process with inversion of the relative configuration at the C7 position. The absolute configuration of (+)-steenkrotin A was determined based on the stepwise construction of the stereocenters during the total synthesis. PMID:26660855

  18. Vibrational Circular Dichroism Absolute Configuration of 9,12-Cyclomulin-13-ol, a Diterpene from Azorella and Laretia Species.

    Science.gov (United States)

    Muñoz, Marcelo A; San-Martín, Aurelio; Joseph-Nathan, Pedro

    2015-08-01

    The absolute configuration of the diterpenoid 9,12-cyclomulin-13-ol (1), a constituent of Azorella and Laretia species, has been established by vibrational circular dichroism spectroscopy in combination with density functional theory calculations. The obtained normal diterpene absolute configuration confirms that of azorellanol (2), which was determined by single crystal X-ray diffraction.

  19. Asymmetric Synthesis and Absolute Configuration Assignment of a New Type of Bedaquiline Analogue

    OpenAIRE

    Chang-Jiang Qiao; Xiao-Kui Wang; Fei Xie; Wu Zhong; Song Li

    2015-01-01

    Bedaquiline is the first FDA-approved new chemical entity to fight multidrug-resistant tuberculosis in the last forty years. Our group replaced the quinoline ring with a naphthalene ring, leading to a new type of triarylbutanol skeleton. An asymmetric synthetic route was established for our bedaquiline analogues, and the goal of assigning their absolute configurations was achieved by comparison of experimental and calculated electronic circular dichroism spectra, and was confirmed by the comb...

  20. Configurational Entropy in Brane-world Models: A New Approach to Stability

    CERN Document Server

    Correa, R A C

    2015-01-01

    In this work we investigate the entropic information on thick brane-worlds scenarios and its consequences. The brane-world entropic information is studied for the sine-Gordon model is and hence the brane-world entropic information measure is shown an accurate way for providing the most suitable values for the bulk AdS curvature. Besides, the brane-world configurational entropy is employed to demonstrate a high organisational degree in the structure of the system configuration, 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.

  1. Absolute configurations and CD spectra of axially chiral biphenyls prepared in a facile manner by crystallization-induced configuration transformation.

    Science.gov (United States)

    Wang, Limin; Cheng, Senxiang; Chen, Rongfeng; Chang, Junbiao

    2010-08-01

    Axially chiral biphenyls such as (M,S)-3k have been conveniently obtained by crystallization of their diastereomeric mixtures, which were synthesized from racemic 4,4'-dimethoxy-5,6,5',6'-bis(methylenedioxy)-2-carboxylester-2'-carboxyl-biphenyls 4 and chiral amino alcohols (R)-alaninol, (S)-alaninol, (S)-valinol, and (S)-phenylalaninol. A crystallization-induced configuration transformation of the biphenyls was thus achieved. It was found that amide formation of an (S)-valinol or (S)-phenylalaninol at the 2'-position of the biphenyl usually induced the deposition of crystals with the (M)-configuration from ethanol in yields higher than 50%. The absolute configurations (ACs) of two crystalline biphenyls have been determined by X-ray crystallographic analysis. The ACs of nine biphenyls have been assigned based on their CD spectra. Further, stability investigation of these axially chiral biphenyls revealed that the ACs could revert upon redissolution. The energy barrier to epimerization between (P,R)-3b and (M,R)-3b was measured as DeltaG(#) = 21.45 kcal/mol and the half-life in ethanol at 301 K was 17.1 h. PMID:20623583

  2. Configurational entropy as a bounding of Gauss-Bonnet braneworld models

    CERN Document Server

    Correa, R A C; Dutra, A de Souza; de Paula, W; Frederico, T

    2016-01-01

    Configurational entropy has been revealed as a reliable method for constraining some parameters of a given model [Phys. Rev. D \\textbf{92} (2015) 126005, Eur. Phys. J. C \\textbf{76} (2016) 100]. In this letter we calculate the configurational entropy in Gauss-Bonnet braneworld models. Our results restrict the range of acceptability of the Gauss-Bonnet scalar values. In this way, the information theoretical measure in Gauss-Bonnet scenarios opens a new window to probe situations where the additional parameters, responsible for the Gauss-Bonnet sector, are arbitrary. We also show that such an approach is very important in applications that include p and Dp-branes and various superstring-motivated theories.

  3. Asymmetric Synthesis and Absolute Configuration Assignment of a New Type of Bedaquiline Analogue

    Directory of Open Access Journals (Sweden)

    Chang-Jiang Qiao

    2015-12-01

    Full Text Available Bedaquiline is the first FDA-approved new chemical entity to fight multidrug-resistant tuberculosis in the last forty years. Our group replaced the quinoline ring with a naphthalene ring, leading to a new type of triarylbutanol skeleton. An asymmetric synthetic route was established for our bedaquiline analogues, and the goal of assigning their absolute configurations was achieved by comparison of experimental and calculated electronic circular dichroism spectra, and was confirmed by the combined use of circular dichroism and NMR spectroscopy.

  4. Asymmetric Synthesis and Absolute Configuration Assignment of a New Type of Bedaquiline Analogue.

    Science.gov (United States)

    Qiao, Chang-Jiang; Wang, Xiao-Kui; Xie, Fei; Zhong, Wu; Li, Song

    2015-01-01

    Bedaquiline is the first FDA-approved new chemical entity to fight multidrug-resistant tuberculosis in the last forty years. Our group replaced the quinoline ring with a naphthalene ring, leading to a new type of triarylbutanol skeleton. An asymmetric synthetic route was established for our bedaquiline analogues, and the goal of assigning their absolute configurations was achieved by comparison of experimental and calculated electronic circular dichroism spectra, and was confirmed by the combined use of circular dichroism and NMR spectroscopy. PMID:26690407

  5. Terpecurcumins A-I from the rhizomes of Curcuma longa: absolute configuration and cytotoxic activity.

    Science.gov (United States)

    Lin, Xionghao; Ji, Shuai; Li, Rui; Dong, Yinhui; Qiao, Xue; Hu, Hongbo; Yang, Wenzhi; Guo, Dean; Tu, Pengfei; Ye, Min

    2012-12-28

    Terpecurcumins A-I (1-9), together with three known analogues (10-12), were isolated from the rhizomes of Curcuma longa (turmeric). They were derived from the hybridization of curcuminoids and bisabolanes. The structures and absolute configurations of 1-9 were elucidated on the basis of extensive spectroscopic data analysis, including NMR and electronic circular dichroism spectra. The configuration of 10 was further confirmed by X-ray crystallography. A plausible biogenetic relationship for 1-12 is proposed. Compounds 4, 6, 7, 10, and 11 showed higher cytotoxic activities (IC(50), 10.3-19.4 μM) than curcumin (IC(50), 31.3-49.2 μM) against human cancer cell lines (A549, HepG2, and MDA-MB-231).

  6. Absolute configuration of 2-sec-butyl-4,5-dihydrothiazole in male mouse urine.

    Science.gov (United States)

    Cavaggioni, Andrea; Mucignat-Caretta, Carla; Zagotto, Giuseppe

    2003-11-01

    The absolute configuration of 2-sec-butyl-4,5-dihydrothiazole (DHT) in urine of adult male mice was determined through chiral trifluoroacetyl derivative capillary chromatography by comparing the retention time with synthetic standards. (S)-DHT was extracted from fresh urine, while neither (R)-DHT nor the racemization of (S)-DHT were detected. We can conclude that DHT in urine possesses the S configuration, although we cannot exclude a minor component in the R configuration. (S)-DHT was then characterized for binding to the complex of major urinary proteins of male mouse urine (MUP) and for a behavioral response, the competitive scent marking behavior (countermarking). The binding constant of (S)-DHT to MUP (determined by competitive displacement) was 8.2 +/- 0.6 microM (mean +/- SD) and was 10.5 +/- 0.6 microM for R-DHT, thus excluding a relevant difference in binding. (S)-DHT modified countermarking in a peculiar way. Male mice were slow in countermarking urinary spots streaked 2 days earlier and on top of which (S)-DHT was added shortly before the test. This response was not seen when adding (S)-DHT to freshly streaked urinary spots or to clean paper. Unlike (S)-DHT, (R)-DHT prompted countermarking rather than delaying it. We can further conclude that (S)-DHT in male mouse urine is an aversive chemosignal for countermarking. PMID:14654447

  7. Stereoselective first total synthesis, confirmation of the absolute configuration and bioevaluation of botryolide-E.

    Science.gov (United States)

    Reddy, D Kumar; Shekhar, V; Prabhakar, P; Babu, D Chanti; Ramesh, D; Siddhardha, B; Murthy, U S N; Venkateswarlu, Y

    2011-02-01

    A simple, first stereoselective total synthesis of botryolide-E has been described. The synthesis started from propylene oxide employing Jacobsen's hydrolytic kinetic resolution (HKR), selective epoxide opening, sharpless asymmetric dihydroxylation, one pot acetonide deprotection and lactonization as key steps. Further, the synthesis confirms the absolute configuration of the natural product botryolide-E and we evaluated the biological behavior of natural product botryolide-E against a panel of bacteria and fungi. Botryolide-E exhibits significant potent activity against Staphylococcus aureus (MTCC 96) (6.25 μg/ml), good against Escherichia coli (MTCC 443) (12.5 μg/ml), Bacillus subtilis (MTCC 441) (25 μg/ml) and compound 1 exhibited good to moderate antifungal activity. PMID:21211971

  8. Miniature high-throughput chemosensing of yield, ee, and absolute configuration from crude reaction mixtures.

    Science.gov (United States)

    Bentley, Keith W; Zhang, Peng; Wolf, Christian

    2016-02-01

    High-throughput experimentation (HTE) has emerged as a widely used technology that accelerates discovery and optimization processes with parallel small-scale reaction setups. A high-throughput screening (HTS) method capable of comprehensive analysis of crude asymmetric reaction mixtures (eliminating product derivatization or isolation) would provide transformative impact by matching the pace of HTE. We report how spontaneous in situ construction of stereodynamic metal probes from readily available, inexpensive starting materials can be applied to chiroptical chemosensing of the total amount, enantiomeric excess (ee), and absolute configuration of a wide variety of amines, diamines, amino alcohols, amino acids, carboxylic acids, α-hydroxy acids, and diols. This advance and HTS potential are highlighted with the analysis of 1 mg of crude reaction mixtures of a catalytic asymmetric reaction. This operationally simple assay uses a robust mix-and-measure protocol, is amenable to microscale platforms and automation, and provides critical time efficiency and sustainability advantages over traditional serial methods. PMID:26933684

  9. Long-chain acyl-homoserine lactones from Methylobacterium mesophilicum: synthesis and absolute configuration.

    Science.gov (United States)

    Pomini, Armando M; Cruz, Pedro L R; Gai, Cláudia; Araújo, Welington L; Marsaioli, Anita J

    2009-12-01

    The acyl-homoserine lactones (acyl-HSLs) produced by Methylobacterium mesophilicum isolated from orange trees infected with the citrus variegated chlorosis (CVC) disease have been studied, revealing the occurrence of six long-chain acyl-HSLs, i.e., the saturated homologues (S)-N-dodecanoyl (1) and (S)-N-tetradecanoyl-HSL (5), the uncommon odd-chain N-tridecanoyl-HSL (3), the new natural product (S)-N-(2E)-dodecenoyl-HSL (2), and the rare unsaturated homologues (S)-N-(7Z)-tetradecenoyl (4) and (S)-N-(2E,7Z)-tetradecadienyl-HSL (6). The absolute configurations of all HSLs were determined as 3S. Compounds 2 and 6 were synthesized for the first time. Antimicrobial assays with synthetic acyl-HSLs against Gram-positive bacterial endophytes co-isolated with M. mesophilicum from CVC-infected trees revealed low or no antibacterial activity. PMID:19919062

  10. ABSOLUTE CONFIGURATION AND BIOLOGICAL PROPERTIES OF ENANTIOMERS OF CFTR INHIBITOR BPO-27.

    Science.gov (United States)

    Snyder, David S; Tradtrantip, Lukmanee; Battula, Sailaja; Yao, Chenjuan; Phuan, Puay-Wah; Fettinger, James C; Kurth, Mark J; Verkman, A S

    2013-05-01

    We previously reported benzopyrimido-pyrrolo-oxazinedione (BPO) inhibitors of the cystic fibrosis transmembrane conductance regulator (CFTR) chloride channel and showed their efficacy in a model of polycystic kidney disease. Here, we separated the enantiomers of lead compound BPO-27, (1), which contains a single chiral center, and determined their absolute configuration, activity and metabolic stability. Following separation by chiral supercritical fluid chromatography, the R enantiomer, as determined by x-ray crystallography, inhibited CFTR chloride conductance with IC50 ~ 4 nM, while S enantiomer was inactive. In vitro metabolic stability in hepatic microsomes showed both enantiomers as stable, with <5 % metabolism in 4 h. Following bolus interperitoneal administration in mice, serum (R)-1 decayed with t1/2 ~ 1.6 h and gave sustained therapeutic concentrations in kidney.

  11. Synthesis, Crystal Structure and Absolute Configuration of(+)-O-Phenyl Cyclophosphorodiamidate

    Institute of Scientific and Technical Information of China (English)

    何可; 周正洪; 李康应; 赵国锋; 唐除痴; 王宏根

    2003-01-01

    The title compound, (+)-O-phenyl cyclophosphorodiamidate (C28H33N2O2P, Mr = 460.53), has been synthesized and characterized by 31P NMR, 1H NMR and elemental analysis. X-ray diffraction analysis at 273(2) K indicates that it belongs to orthorhombic system, space group P212121 with a = 11.518(4), b = 13.449(4), c = 16.539(5)(A°), V = 2562(1)(A°)3, Z = 4, Dc = 1.194 g/cm3, F(000) = 984 and μ(MoKα) = 0.134 mm-1. The structure parameters were refined by full-matrix least-squares on F2 to R = 0.0459 and wR = 0.0640. The flack x parameter is 0.03(10), and the absolute configuration of the phosphorus atom in the title compound is S.

  12. New ursane triterpenoids from Salvia urmiensis Bunge: Absolute configuration and anti-proliferative activity.

    Science.gov (United States)

    Farimani, Mahdi Moridi; Bahadori, Mir Babak; Koulaei, Sheyda Ahmadi; Salehi, Peyman; Ebrahimi, Samad Nejad; Khavasi, Hamid Reza; Hamburger, Matthias

    2015-10-01

    Two new triterpenoids, urmiensolide B (1) and urmiensic acid (2), with rare carbon skeletons together with three known compounds were isolated from the aerial parts of Salvia urmiensis Bunge, an endemic species of Iran. The structures were established by a combination of 1D and 2D NMR, and HRESIMS, and in the case of 2 and 3, their structures were confirmed by single-crystal X-ray analysis. The absolute configuration of 2 was established by electronic circular dichroism (ECD) spectra. The new compounds were evaluated for their anti-proliferative activities against A549 and MCF-7 human cancer cell lines. Compounds 1 and 2 showed IC50 values of 2.8 and 1.6 μM against MCF-7 cells, respectively. PMID:26254275

  13. Configurational entropy and cooperativity between ligand binding and dimerization in glycopeptide antibiotics.

    Science.gov (United States)

    Jusuf, Sutjano; Loll, Patrick J; Axelsen, Paul H

    2003-04-01

    Oligomerization and ligand binding are thermodynamically cooperative processes in many biochemical systems, and the mechanisms giving rise to cooperative behavior are generally attributed to changes in structure. In glycopeptide antibiotics, however, these cooperative processes are not accompanied by significant structural changes. To investigate the mechanism by which cooperativity arises in these compounds, fully solvated molecular dynamics simulations and quasiharmonic normal-mode analysis were performed on chloroeremomycin, vancomycin, and dechlorovancomycin. Configurational entropies were derived from the vibrational modes recovered from ligand-free and ligand-bound forms of the monomeric and dimeric species. Results indicate that both ligand binding and dimerization incur an entropic cost as vibrational activity in the central core of the antibiotic is shifted to higher frequencies with lower amplitudes. Nevertheless, ligand binding and dimerization are cooperative because the entropic cost of both processes occurring together is less than the cost of these processes occurring separately. These reductions in configurational entropy are more than sufficient in magnitude to account for the experimentally observed cooperativity between dimerization and ligand binding. We conclude that biochemical cooperativity can be mediated through changes in vibrational activity, irrespective of the presence or absence of concomitant structural change. This may represent a general mechanism of allostery underlying cooperative phenomena in diverse macromolecular systems. PMID:12656635

  14. Redetermined structure, inter-molecular inter-actions and absolute configuration of royleanone.

    Science.gov (United States)

    Fun, Hoong-Kun; Chantrapromma, Suchada; Salae, Abdul Wahab; Razak, Ibrahim Abdul; Karalai, Chatchanok

    2011-05-01

    The structure of the title diterpenoid, C(20)H(28)O(3), {systematic name: (4bS,8aS)-3-hy-droxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octa-hydro-phenanthrene-1,4-dione} is confirmed [Eugster et al. (1993 ▶). Private communication (refcode HACGUN). CCDC, Union Road, Cambridge] and its packing is now described. Its absolute structure was established by refinement against data collected with Cu radiation: the two stereogenic centres both have S configurations. One cyclo-hexane ring adopts a chair conformation whereas the other cyclo-hexane ring is in a half-chair conformation and the benzoquinone ring is slightly twisted. An intra-molecular O-H⋯O hydrogen bond generates an S(5) ring motif. In the crystal, mol-ecules are linked into chains along [010] by O-H⋯O hydrogen bonds and weak C-H⋯O inter-actions. The packing also features C⋯O [3.131 (3) Å] short contacts.

  15. Absolute Configurations and NO Inhibitory Activities of Terpenoids from Curcuma longa.

    Science.gov (United States)

    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.

  16. The sesquiterpenoid nootkatone and the absolute configuration of a dibromo derivative.

    Science.gov (United States)

    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. PMID:12743407

  17. Total Synthesis, Structure Revision, and Absolute Configuration of (−)-Brevenal

    Science.gov (United States)

    Fuwa, Haruhiko; Ebine, Makoto; Bourdelais, Andrea J.; Baden, Daniel G.; Sasaki, Makoto

    2008-01-01

    Total synthesis of structure 1 originally proposed for brevenal, a nontoxic polycyclic ether natural product isolated from the Florida red tide dinoflagellate, Karenia brevis, was accomplished. The key features of the synthesis involved (i) convergent assembly of the pentacyclic polyether skeleton based on our developed Suzuki–Miyaura coupling chemistry and (ii) stereoselective construction of the multi-substituted (E,E)-dienal side chain by using copper(I) thiophen-2-carboxylate (CuTC)-promoted modified Stille coupling. The disparity of NMR spectra between the synthetic material and the natural product required a revision of the proposed structure. Detailed spectroscopic comparison of synthetic 1 with natural brevenal, coupled with the postulated biosynthetic pathway for marine polyether natural products, suggested that the natural product was most likely represented by 2, the C26 epimer of the proposed structure 1. The revised structure was finally validated by completing the first total synthesis of (−)-2, which also unambiguously established the absolute configuration of the natural product. PMID:17177450

  18. Synthesis, Crystal Structure and Absolute Configuration of (+)-(а-Hydroxybenzyl)phenylphosphinic acid

    Institute of Scientific and Technical Information of China (English)

    蔡觉晓; 周正洪; 唐除痴; 王宏根

    2002-01-01

    The title compound (+)-((-hydroxybenzyl)phenylphosphinic acid (C13H13O3P, Mr = 248.20) has been synthesized and characterized by 31P NMR, 1H NMR and elemental analysis. X-ray diffraction analysis at 293(2) K indicates that the compound belongs to monoclinic system, space group C2 with cell parameters: a = 23.560(8), b = 6.947(2), c = 7.854(3) (A。), β = 91.273(6)°, V = 1285.2(7) (A。)3, Z = 4, Dc = 1.283 g/cm3, F(000) = 520 and ((MoK() = 0.207 mm-1. The number of independent reflections amounts to 1991, of which 1507 are observed reflections. The crystal structure has been determined by direct methods (SHELXL-97). The structure parameters are refined by full-matrix least-squares on F2 to R = 0.0437 and wR = 0.0893. The flack x parameter is - 0.0001. The absolute configuration of the (-carbon in the title compound is S.

  19. Redetermined structure, inter-molecular inter-actions and absolute configuration of royleanone.

    Science.gov (United States)

    Fun, Hoong-Kun; Chantrapromma, Suchada; Salae, Abdul Wahab; Razak, Ibrahim Abdul; Karalai, Chatchanok

    2011-05-01

    The structure of the title diterpenoid, C(20)H(28)O(3), {systematic name: (4bS,8aS)-3-hy-droxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octa-hydro-phenanthrene-1,4-dione} is confirmed [Eugster et al. (1993 ▶). Private communication (refcode HACGUN). CCDC, Union Road, Cambridge] and its packing is now described. Its absolute structure was established by refinement against data collected with Cu radiation: the two stereogenic centres both have S configurations. One cyclo-hexane ring adopts a chair conformation whereas the other cyclo-hexane ring is in a half-chair conformation and the benzoquinone ring is slightly twisted. An intra-molecular O-H⋯O hydrogen bond generates an S(5) ring motif. In the crystal, mol-ecules are linked into chains along [010] by O-H⋯O hydrogen bonds and weak C-H⋯O inter-actions. The packing also features C⋯O [3.131 (3) Å] short contacts. PMID:21754362

  20. The iso-structural viscosity, configurational entropy and fragility of oxide liquids

    DEFF Research Database (Denmark)

    Yue, Yuanzheng

    2009-01-01

    This paper describes how the fragility of a liquid is linked to the ratio between the energy barrier (Eeq) for the equilibrium viscous behavior and that (Eiso) for the non-equilibrium iso-structural viscous behavior. Using the concept of iso-structural viscosity, two functions describing 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 with...... VFT equation is not only a dynamical, but also a thermodynamic model. It is proved that for oxide liquids, the VFT equation describes viscosity data better than the AM equation, provided the pre-exponential factor η0 is fixed to a generally accepted value, e.g., 10-3.5 Pa s....

  1. Enantiomeric high-performance liquid chromatography resolution and absolute configuration of 6β-benzoyloxy-3α-tropanol.

    Science.gov (United States)

    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.

  2. Isolation and structure of the cytotoxin lyngbyabellin B and absolute configuration of lyngbyapeptin A from the marine cyanobacterium Lyngbya majuscula.

    Science.gov (United States)

    Luesch, H; Yoshida, W Y; Moore, R E; Paul, V J

    2000-10-01

    An analogue of the potent microfilament-disrupter lyngbyabellin A (1) has been isolated as a minor metabolite from the marine cyanobacterium Lyngbya majuscula collected at Apra Harbor, Guam. It possesses slightly weaker cytotoxicity than 1 and has been named lyngbyabellin B (2). Primarily NMR spectroscopy was used to determine its structure. The absolute configuration of 2 has been ascertained by chiral HPLC analysis of degradation products and by comparison with lyngbyabellin A (1). The known modified tetrapeptide lyngbyapeptin A (3) has also been found in the same extract, and its absolute stereochemistry could be determined for the first time.

  3. Importance of polar solvation and configurational entropy for design of antiretroviral drugs targeting HIV-1 protease.

    Science.gov (United States)

    Kar, Parimal; Lipowsky, Reinhard; Knecht, Volker

    2013-05-16

    Both KNI-10033 and KNI-10075 are high affinity preclinical HIV-1 protease (PR) inhibitors with affinities in the picomolar range. In this work, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method has been used to investigate the potency of these two HIV-1 PR inhibitors against the wild-type and mutated proteases assuming that potency correlates with the affinity of the drugs for the target protein. The decomposition of the binding free energy reveals the origin of binding affinities or mutation-induced affinity changes. Our calculations indicate that the mutation I50V causes drug resistance against both inhibitors. On the other hand, we predict that the mutant I84V causes drug resistance against KNI-10075 while KNI-10033 is more potent against the I84V mutant compared to wild-type protease. Drug resistance arises mainly from unfavorable shifts in van der Waals interactions and configurational entropy. The latter indicates that neglecting changes in configurational entropy in the computation of relative binding affinities as often done is not appropriate in general. For the bound complex PR(I50V)-KNI-10075, an increased polar solvation free energy also contributes to the drug resistance. The importance of polar solvation free energies is revealed when interactions governing the binding of KNI-10033 or KNI-10075 to the wild-type protease are compared to the inhibitors darunavir or GRL-06579A. Although the contributions from intermolecular electrostatic and van der Waals interactions as well as the nonpolar component of the solvation free energy are more favorable for PR-KNI-10033 or PR-KNI-10075 compared to PR-DRV or PR-GRL-06579A, both KNI-10033 and KNI-10075 show a similar affinity as darunavir and a lower binding affinity relative to GRL-06579A. This is because of the polar solvation free energy which is less unfavorable for darunavir or GRL-06579A relative to KNI-10033 or KNI-10075. The importance of the polar solvation as revealed here

  4. Network Entropy Based on Topology Configuration and Its Computation to Random Networks

    Institute of Scientific and Technical Information of China (English)

    LI Ji; WANG Bing-Hong; WANG Wen-Xu; ZHOU Tao

    2008-01-01

    A definition of network entropy is presented, and as an example, the relationship between the value of network entropy of ER network model and the connect probability p as well as the total nodes N is discussed. The theoretical result and the simulation result based on the network entropy of the ER network are in agreement well with each other. The result indicated that different from the other network entropy reported before, the network entropy defined here has an obvious difference from different type of random networks or networks having different total nodes. Thus, this network entropy may portray the characters of complex networks better. It is also pointed out that, with the aid of network entropy defined, the concept of equilibrium networks and the concept of non-equilibrium networks may be introduced, and a quantitative measurement to describe the deviation to equilibrium state of a complex network is carried out.

  5. Absolute configurations of phytotoxic inuloxins B and C based on experimental and computational analysis of chiroptical properties.

    Science.gov (United States)

    Evidente, Marco; Santoro, Ernesto; Petrovic, Ana G; Cimmino, Alessio; Koshoubu, Jun; Evidente, Antonio; Berova, Nina; Superchi, Stefano

    2016-10-01

    The absolute configuration of phytotoxins inuloxins B and C, produced by Inula viscosa, and with potential herbicidal activity for the management of parasitic plants, has been determined by Time-dependent density functional theory computational prediction of electronic circular dichroism and optical rotatory dispersion spectra. The inuloxin B has been converted to its 5-O-acetyl derivative, which due to its more constrained conformational features facilitated the computational analysis of its chiroptical properties. The analysis based on experimental and computed data led to assignment of absolute configuration to naturally occurring (+)-inuloxin B and (-)-inuloxin C as (7R,8R,10S,11S) and (5S,7S,8S,10S), respectively. PMID:27498046

  6. Fluorinated porphyrin tweezer: a powerful reporter of absolute configuration for erythro and threo diols, amino alcohols, and diamines.

    Science.gov (United States)

    Li, Xiaoyong; Tanasova, Marina; Vasileiou, Chrysoula; Borhan, Babak

    2008-02-13

    A general and sensitive nonempirical protocol to determine the absolute configurations of erythro and threo diols, amino alcohols, and diamines is reported. Binding of diols to the porphyrin tweezer system is greatly enhanced by increasing the Lewis acidity of the metalloporphyrin. Supramolecular complexes formed between the porphyrin tweezer host and chiral substrates exhibited exciton-coupled bisignate CD spectra with predictable signs based on the substituents on the chiral center. The working model suggests that the observed helicity of the porphyrin tweezer is dictated via steric differentiation experienced by the porphyrin ring bound to each chiral center. A variety of erythro and threo substrates were investigated to verify this chiroptical method. Their absolute configurations were unequivocally determined, and thus a general mnemonic is provided for the assignment of chirality.

  7. Resolution of 1- and 2-naphthylmethoxyacetic acids, NMR reagents for absolute configuration determination, by use of L-phenylalaninol.

    Science.gov (United States)

    Arita, Shoko; Yabuuchi, Tetsuya; Kusumi, Takenori

    2003-08-01

    Racemic 1- and 2-naphthylmethoxyacetic acids (1NMA and 2NMA), the chiral anisotropic reagents used for absolute configuration determination of chiral secondary alcohols and primary amines, were conveniently resolved to enantiomers (>99% ee) by condensation with L-phenylalaninol (2-amino-3-phenylpropanol), chromatographic separation of the diastereomers, and hydrolysis. This method enables large-scale preparation of enantiomeric 1NMA and 2NMA. PMID:12840826

  8. Absolute configuration and crystal packing for three chiral drugs prone to spontaneous resolution: Guaifenesin, methocarbamol and mephenesin

    Science.gov (United States)

    Bredikhin, Alexander A.; Gubaidullin, Aidar T.; Bredikhina, Zemfira A.; Krivolapov, Dmitry B.; Pashagin, Alexander V.; Litvinov, Igor A.

    2009-02-01

    Popular chiral drugs, guaifenesin, methocarbamol, and mephenesin were investigated by single-crystal X-ray analysis both for enantiopure and racemic samples. The absolute configurations for all substances were established through Flack parameter method. The conglomerate-forming nature for the compounds was confirmed by equivalence of crystal characteristics of enantiopure and racemic samples. The molecular structures and crystal packing details were evaluated and compared with one another for all three investigated substances.

  9. Competition between intermolecular interaction and configuration entropy as the structure-determining factor for inclusion compounds

    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.

  10. Parametric scaling from species relative abundances to absolute abundances in the computation of biological diversity: a first proposal using Shannon's entropy.

    Science.gov (United States)

    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.

  11. Effect of Counterion and Configurational Entropy on the Surface Tension of Aqueous Solutions of Ionic Surfactant and Electrolyte Mixtures

    Directory of Open Access Journals (Sweden)

    Youichi Takata

    2010-04-01

    Full Text Available In order to clarify the adsorption behavior of cationic surfactants on the air/aqueous electrolyte solution surface, we derived the theoretical equation for the surface tension. The equation includes the electrical work required for charging the air/water surface and the work attributable to the configurational entropy in the adsorbed film. By fitting the equation to the experimental data, we determined the binding constant between adsorbed surfactant ion and counterion, and found that the bromide ions, rather than the chloride ions, are preferentially adsorbed by the air/water surface. Furthermore, it was suggested that the contribution of configurational entropy to the surface tension is predominant in the presence of electrolytes because of the increase in the surface density of surfactant molecules associated with decreasing the repulsive interaction between their hydrophilic groups.

  12. Effect of total and pair configurational entropy in determining dynamics of supercooled liquids over a range of densities

    OpenAIRE

    Banerjee, Atreyee; Nandi, Manoj Kumar; Sastry, Srikanth; Bhattacharyya, Sarika Maitra

    2016-01-01

    In this paper, we present a study of supercooled liquids interacting with the Lennard Jones (LJ) potential and the corresponding purely repulsive (Weeks-Chandler-Andersen or WCA) potential, over a range of densities and temperatures, in order to understand the origin of their different dynamics in spite of their structures being similar. Using the configurational entropy as the thermodynamic marker via the Adam Gibbs (AG) relation, we show that the difference in the dynamics of these two syst...

  13. Effect of Counterion and Configurational Entropy on the Surface Tension of Aqueous Solutions of Ionic Surfactant and Electrolyte Mixtures

    OpenAIRE

    Youichi Takata; Hiroaki Tagashira; Atsushi Hyono; Hiroyuki Ohshima

    2010-01-01

    In order to clarify the adsorption behavior of cationic surfactants on the air/aqueous electrolyte solution surface, we derived the theoretical equation for the surface tension. The equation includes the electrical work required for charging the air/water surface and the work attributable to the configurational entropy in the adsorbed film. By fitting the equation to the experimental data, we determined the binding constant between adsorbed surfactant ion and counterion, and found that the br...

  14. Configurational entropy of protein: A combined approach based on molecular simulation and integral-equation theory of liquids

    Science.gov (United States)

    Chong, Song-Ho; Ham, Sihyun

    2011-03-01

    We report the recent development of a theoretical method to calculate the protein configurational entropy in explicit solvent from statistical properties of the solvent-averaged protein potential energy surface. This method can be implemented by combining molecular simulation and integral-equation theory of liquids. Our method does not assume Gaussian distribution of protein configurations, and can be applied to unfolded or misfolded states of protein in which an average protein structure is not well defined. An illustrative application is made to misfolded state of 42-residue amyloid beta protein in water.

  15. Synthesis of enantiopure 2-aryl-2-methoxypropionic acids and determination of their absolute configurations by X-ray crystallography.

    Science.gov (United States)

    Sekiguchi, Satoshi; Naito, Junpei; Taji, Hiromi; Kasai, Yusuke; Sugio, Akinori; Kuwahara, Shunsuke; Watanabe, Masataka; Harada, Nobuyuki

    2008-03-01

    Racemic 2-aryl-2-methoxypropionic acids were enantioresolved by the use of (S)-(-)-phenylalaninol 4. For instance, racemic 2-methoxy-2-phenylpropionic acid (+/-)-7 was condensed with phenylalaninol (S)-(-)-4 yielding a diastereomeric mixture of amides, which was easily separated by HPLC on silica gel affording the first-eluted amide (-)-13a and the second-eluted amide (+)-13b: alpha = 3.19, Rs = 3.49. The absolute configuration of amide (-)-13a was determined to be (R;S) by X-ray crystallography by reference to the S configuration of the phenylalaninol moiety. Amide (R;S)-(-)-13a was converted to oxazoline (R;S)-(-)-14a, from which enantiopure 2-methoxy-2-phenylpropionic acid (R)-(-)-7 was recovered. Other 2-aryl-2-methoxypropionic acids, (R)-(-)-8, (R)-(-)-9, (R)-(+)-10, (R)-(-)-11, and (R)-(-)-12, were similarly prepared in enantiopure forms with the use of phenylalaninol (S)-(-)-4, and their absolute configurations were clearly determined by X-ray crystallography or by chemical correlation. PMID:17559106

  16. The absolute configuration of (+)-oxopropaline D by theoretical calculation of specific rotation and asymmetric synthesis.

    Science.gov (United States)

    Kuwada, Takeshi; Fukui, Miyako; Hata, Toshiyuki; Choshi, Tominari; Nobuhiro, Junko; Ono, Yukio; Hibino, Satoshi

    2003-01-01

    The specific optical rotations of (R)-oxopropaline D calculated by two ab initio MO methods were +52+/-31 degrees and +61+/-29 degrees, respectively, and (+)-oxopropaline D (3) was presumed to have an R-configuration. On the basis of this theoretical result, the reaction of 1-litio-beta-carboline with (R)-glyceraldehyde acetonide followed by oxidation with MnO(2) gave (R)-oxopropaline D acetonide (4a), which was consistent with the previously synthesized (+)-oxopropaline D acetonide (4) in all respects. From the results of theoretical calculations and the experimental synthesis, we determined that natural (+)-oxopropaline D (3) has an R-configuration.

  17. Lipase-catalyzed Remote Kinetic Resolution of Quaternary Carbon-containing Alcohols and Determination of Their Absolute Configuration

    International Nuclear Information System (INIS)

    The quaternary carbon-containing alcohols (1-6) were resolved enantioselectively by various lipases such as PFL (Pseudomonas fluorescens lipase), LAK (Pseudomonas fluorescens lipase), CRL (Candida rugosa lipase) and PCL (Pseudomonas cepacia lipase). The enzymatic resolution of racemic alcohol (±)-2 gave the excellent enantioselectivity in favor of (S)-2d in 99% ee, while those of the racemic alcohols (1, 3, 4, 5 and 6) gave the resolved alcohols with moderate to good enantioselectivity. Also, their absolute configurations were determined by chemical transformation to the known compounds

  18. Effect of total and pair configurational entropy in determining dynamics of supercooled liquids over a range of densities

    Science.gov (United States)

    Banerjee, Atreyee; Nandi, Manoj Kumar; Sastry, Srikanth; Bhattacharyya, Sarika Maitra

    2016-07-01

    In this paper, we present a study of supercooled liquids interacting with the Lennard Jones potential and the corresponding purely repulsive (Weeks-Chandler-Andersen) potential, over a range of densities and temperatures, in order to understand the origin of their different dynamics in spite of their structures being similar. Using the configurational entropy as the thermodynamic marker via the Adam Gibbs relation, we show that the difference in the dynamics of these two systems at low temperatures can be explained from thermodynamics. At higher densities both the thermodynamical and dynamical difference between these model systems decrease, which is quantitatively demonstrated in this paper by calculating different parameters. The study also reveals the origin of the difference in pair entropy despite the similarity in the structure. Although the maximum difference in structure is obtained in the partial radial distribution function of the B type of particles, the rdf of AA pairs and AB pairs gives rise to the differences in the entropy and dynamics. This work supports the observation made in an earlier study [A. Banerjee et al., Phys. Rev. Lett. 113, 225701 (2014)] and shows that they are generic in nature, independent of density.

  19. [HPLC enantioseparation, absolute configuration determination and anti-HIV-1 activity of (±)-F18 enantiomers].

    Science.gov (United States)

    Zhang, Lei-lei; Xue, Hai; Li, Li; Lu, Xiao-fan; Chen, Zhi-wei; Lu, Gang

    2015-06-01

    Racemic (±)-F18 (10-chloromethyl-11-demethyl-12-oxo-calanolide A), an analog of nature product (+)-calanolide A, is a new anti-HIV-1 nonnucleoside reverse transcript inhibitor (NNRTI). A successful enantioseparation of (±)-F18 offering (R)-F18 and (S)-F18 was achieved by a chiral stationary phase prepared HPLC. Their absolute configurations were determined by measurement of their electronic circular dichroisms combined with modem quantum-chemical calculations. Further investigation revealed that (R)-F18 and (S)-F18 shared a similar anti-HIV activities, however, (R)-F18 was more potent than (S)-F18 against wild-type virus, K101E mutation and P225H mutation pseudoviruses. PMID:26521445

  20. Revised Absolute Configuration of Sibiricumin A: Substituent Effects in Simplified Model Structures Used for Quantum Mechanical Predictions of Chiroptical Properties.

    Science.gov (United States)

    Zhao, Dan; Li, Zheng-Qiu; Cao, Fei; Liang, Miao-Miao; Pittman, Charles U; Zhu, Hua-Jie; Li, Li; Yu, Shi-Shan

    2016-08-01

    This study discusses the choice of different simplified models used in computations of electronic circular dichroism (ECD) spectra and other chiroptical characteristics used to determine the absolute configuration (AC) of the complex natural product sibiricumin A. Sections of molecules containing one chiral center with one near an aromatic group have large effects on the ECD spectra. Conversely, when the phenyl group is present on a substituent without a nonstereogenic center, removal of this section will have little effect on ECD spectra. However, these nonstereogenic-center-containing sections have large effects on calculated optical rotations (OR) values since the OR value is more sensitive to the geometries of sections in a molecule. In this study, the wrong AC of sibiricumin A was reassigned as (7R,8S,1'R,7'R,8'S)-. Chirality 28:612-617, 2016. © 2016 Wiley Periodicals, Inc. PMID:27428019

  1. Structure and Absolute Configuration of Kongiidiazadione, a New Phytotoxic 3-Substituted-5-Diazenylcyclopentendione Produced by Diaporthe Kongii.

    Science.gov (United States)

    Evidente, Marco; Boari, Angela; Vergura, Stefania; Cimmino, Alessio; Vurro, Maurizio; Ash, Gavin; Superchi, Stefano; Evidente, Antonio

    2015-09-01

    A new 3-substituted-5-diazenylcyclopentendione named kongiidiazadione was isolated from culture filtrates of Diaporthe kongii, associated with stem cankers on sunflower in Australia. Kongiidiazadione was characterized by spectroscopic (essentially nuclear magnetic resonance [NMR] and high-resolution, electrospray ionization, mass spectrometry [HRESIMS]) methods as (-)-5-diazenyl-3-hydroxymethyl-cyclopent-3-en-1,2-dione. The stereochemistry of the diazenyl group was determined by IR spectroscopy, while the (R) absolute configuration at C(5) was assigned by computational analysis of its electronic circular dichroism (ECD) spectrum. When assayed on leaf disks of different plant species at 5 mM, the kongiidiazadione had a differential impact, causing clear necrosis, in particular to Helianthus annuus. Moreover, kongiidiazadione proved to have a weak antibacterial activity against gram-positive Bacillus amyloliquefaciens. PMID:26011252

  2. Molecular structure, configurational entropy and viscosity of silicate melts: link through the Adam and Gibbs theory of viscous flow

    Science.gov (United States)

    Le Losq, Charles; Neuville, Daniel R.

    2016-04-01

    The rheological and thermodynamic properties of silicate melts played a crucial role in the formation and the evolution of the Earth. For instance, they influenced the evolution of a plausible primordial magma ocean, and, as a result, the differentiation of the Earth mantle and crust. Further, they control the dynamic of volcanic eruptions. Because of that, modelling the viscosity or the heat capacity of silicate melts is crucial in order to model the physical processes they are involved in. The Adam and Gibbs theory of viscous flow offers a thermodynamic framework that assumes that the viscosity η (Pa s) at a temperature T (K) of a melt can be expressed as: log(η) = A + ----Be--- e T Sconf(T) (1) with Ae a pre-exponential constant related to the viscosity at infinite temperature, Be (J mol‑1) a constant proportional to the potential energy barrier opposed to the cooperative rearrangement of the liquid structure and Sconf(T) (J mol‑1 K‑1) the melt configurational entropy. With expressing Sconf(T) as the sum of the residual entropy of the glass and of the variation in melt configurational heat capacity, it is possible to link existing thermodynamic and viscosity data for melts with various chemical composition, e.g., SiO2, NaAlSi3O8 or CaAl2Si2O8. Further, it also is possible to describe the viscosity variation induced by mixing Ca and Mg or Na and K in silicate melts, under the assumption that such mixing produces an ideal excess entropy of mixing. An interesting point in the Adam and Gibbs framework is that it assumes that viscous flow occurs through the cooperative re-arrangement of molecular sub-regions in the melt. From high temperature 29Si NMR and Raman spectroscopy data, it actually is known that viscous flow occurs because of the cooperative exchange of oxygen atoms between tetrahedral SiO2 units, allowing their motions. Therefore, it is tempting to link such structural knowledge to heat capacity and viscosity data through the use of equation 1. In

  3. Absolute configuration of micromelin

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2011-07-01

    Full Text Available The title compound {systematic name: 7-methoxy-6-[(1R,2R,5R-5-methyl-4-oxo-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2H-chromen-2-one}, C15H12O6, is a coumarin, which was isolated from the roots of Micromelum glanduliferum. There are two molecules in the asymmetric unit with slight differences in bond angles. In both molecules, the furan ring adopts a flattened envelope conformation. In the crystal, molecules are linked by weak C—H...O interactions into chains along the a axis. Aromatic π–π stacking interactions with centroid–centroid distances in the range 3.6995 (11–3.8069 (11 Å and C...O short contacts [3.030 (2–3.171 (3 Å] also occur.

  4. Entropic measure for localized energy configurations: Kinks, bounces, and bubbles

    Energy Technology Data Exchange (ETDEWEB)

    Gleiser, Marcelo, E-mail: mgleiser@dartmouth.edu [Department of Physics and Astronomy, Dartmouth College, Hanover, NH 03755 (United States); Stamatopoulos, Nikitas, E-mail: nstamato@dartmouth.edu [Department of Physics and Astronomy, Dartmouth College, Hanover, NH 03755 (United States)

    2012-07-09

    We construct a configurational entropy measure in functional space. We apply it to several nonlinear scalar field models featuring solutions with spatially-localized energy, including solitons and bounces in one spatial dimension, and critical bubbles in three spatial dimensions, typical of first-order phase transitions. Such field models are of widespread interest in many areas of physics, from high energy and cosmology to condensed matter. Using a variational approach, we show that the higher the energy of a trial function that approximates the actual solution, the higher its relative configurational entropy, defined as the absolute difference between the configurational entropy of the actual solution and of the trial function. Furthermore, we show that when different trial functions have degenerate energies, the configurational entropy can be used to select the best fit to the actual solution. The configurational entropy relates the dynamical and informational content of physical models with localized energy configurations.

  5. Solving absolute value equation based on maximum entropy Newton- SOR algorithm%极大熵Newton-SOR迭代算法求解绝对值方程

    Institute of Scientific and Technical Information of China (English)

    邓永坤

    2012-01-01

    主要研究绝对值方程Ax+B|z|=b的求解问题.首先通过利用极大熵理论将该绝对值方程转化为光滑方程组,建立求解该形式绝对值问题的Newton-SOR方法,并对算法的收敛性进行分析和证明;最后通过数值试验对算法的有效性进行测试.%This paper is concerned with the absolute value equation Ax + B | x | = b. First, using the maximum entropy function, and absolute value equations problem could be transformed into the approximation unconstrained differentiable problem, then using the Newton -SOR method to solve this problem. Theoretic analysis shows that the proposed method is effective. Numerical results indicate that the method is feasible and effective to absolute value equations problem.

  6. Antidiarrheal Thymol Derivatives from Ageratina glabrata. Structure and Absolute Configuration of 10-Benzoyloxy-8,9-epoxy-6-hydroxythymol Isobutyrate

    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.

  7. Novel Enantiopure Sigma Receptor Modulators: Quick (Semi-)Preparative Chiral Resolution via HPLC and Absolute Configuration Assignment.

    Science.gov (United States)

    Rui, Marta; Marra, Annamaria; Pace, Vittorio; Juza, Markus; Rossi, Daniela; Collina, Simona

    2016-01-01

    The identification of novel pan-sigma receptor (SR) modulators, potentially useful in cancer treatment, represents a new goal of our research. Here, we report on the preparation of novel chiral compounds characterized by a 3-C alkyl chain bridging an aromatic portion to a 4-benzyl-piperidine moiety. All of the studied compounds have been prepared both in racemic and enantiomerically-pure form, with the final aim to address the role of chirality in the SR interaction. To isolate and characterize enantiomeric compounds, high-performance liquid chromatography (HPLC) procedures were set up. A systematic analytical screening, involving several combinations of chiral stationary and mobile phases, allowed us to optimize the analytical resolution and to set up the (semi-)preparative chromatographic conditions. Applying the optimized procedure, the enantiomeric resolution of the studied compounds was successfully achieved, obtaining all of the compounds with an enantiomeric excess higher than 95%. Lastly, the absolute configuration has been empirically assigned to enantiopure compounds, combining the electronic circular dichroism (ECD) technique to the elution order study. PMID:27626396

  8. Determination of the absolute configuration of natural products%天然产物绝对构型的确定

    Institute of Scientific and Technical Information of China (English)

    孔令义; 王鹏

    2013-01-01

    天然产物结构研究一直是天然药物化学相关领域最重要的工作之一,尤其对天然产物绝对构型(AC)的确定更是具有挑战性的研究内容,目前得到国内外学者越来越多的关注.在过去的几十年里已发展了许多技术和方法用来确定天然产物的绝对构型,包括直接法(或绝对方法),例如X射线单晶衍射(XRD)、电子圆二色谱(ECD)、振动圆二色谱(VCD)及拉曼光学活性(ROA);使用已知绝对构型的参照物或衍生化试剂的间接法(或相对方法),例如利用经验规则的圆二色谱,以及利用手性衍生化试剂各向异性效应的核磁共振法(NMR).但由于这些方法适用的化合物类型和结构不尽相同,目前尚没有一种通用技术涵盖所有类型天然产物绝对构型的测定,我们只能灵活应用各种技术和方法才能确定大部分天然产物的绝对构型.本综述总结了大多数当前天然产物绝对构型测定中常用的以及具有潜在前景的技术和方法,并简要介绍了它们的原理及特点.%Structural elucidation of natural products is always one of the most important tasks for natural product researchers in related fields.Particularly,the absolute configuration (AC),being a great challenge for natural product chemists,has attracted much attention.During the past few decades,many techniques and approaches have been developed to determine the AC of natural products,including direct (or absolute) methods,e.g.X-ray diffraction (XRD),electronic and vibrational circular dichroism (ECD and VCD),and Raman optical activity (ROA),as well as indirect (or relative) methods using a reference or a derivatizing agent with known AC,e.g.CD with empirical rules and nuclear magnetic resonance (NMR) utilizing anisotropic effects of chiral derivatizing agents.However,none of the currently applied techniques is capable of dominating AC determination,since they each have their respective limitations corresponding to the

  9. Determination of the absolute configuration of perylene quinone-derived mycotoxins by measurement and calculation of electronic circular dichroism spectra and specific rotations.

    Science.gov (United States)

    Podlech, Joachim; Fleck, Stefanie C; Metzler, Manfred; Bürck, Jochen; Ulrich, Anne S

    2014-09-01

    Altertoxins I-III, alterlosins I and II, alteichin (alterperylenol), stemphyltoxins I-IV, stemphyperylenol, stemphytriol, 7-epi-8-hydroxyaltertoxin I, and 6-epi-stemphytriol are mycotoxins derived from perylene quinone, for which the absolute configuration was not known. Electronic circular dichroism (ECD) spectra were calculated for these compounds and compared with measured spectra of altertoxins I-III, alteichin, and stemphyltoxin III and with reported Cotton effects. Specific rotations were calculated and compared with reported specific rotations. The absolute configuration of all the toxins, except for stemphyltoxin IV, could thus be determined. The validity of the assignment was high whenever reported ECD data were available for comparison, and the validity was lower when the assignment was based only on the comparison of calculated and reported specific rotations. ECD spectra are intrinsically different for toxins with a biphenyl substructure and for toxins derived from dihydroanthracene.

  10. The nonadditive entropy $S_q$: A door open to the nonuniversality of the mathematical expression of the Clausius thermodynamic entropy in terms of the probabilities of the microscopic configurations

    OpenAIRE

    Tsallis, Constantino

    2011-01-01

    Clausius introduced, in the 1860s, a thermodynamical quantity which he named {\\it entropy} $S$. This thermodynamically crucial quantity was proposed to be {\\it extensive}, i.e., in contemporary terms, $S(N) \\propto N$ in the thermodynamic limit $N \\to\\infty$. A decade later, Boltzmann proposed a functional form for this quantity which connects $S$ with the occurrence probabilities of the microscopic configurations (referred to as {\\it complexions} at that time) of the system. This functional ...

  11. Resolution and Determination of the Absolute Configuration of a Twisted Bis-Lactam Analogue of Troger's Base: A Comparative Spectroscopic and Computational Study

    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......The first reported twisted bis-lactam, a racemic Troger's base (TB) analogue (2), was resolved into its enantiomers on a chiral stationary phase HPLC column. The absolute configuration of (+)-2 was determined to be (R,R)-2 by comparing experimental and calculated vibrational circular dichroism (VCD....../6-31G(d,p) level of theory. The absolute configuration of (+)-2 was also determined to (R,R)-2 by anomalous X-ray diffraction (AXRD) in a chiral space group P2(1)2(1)2(1) using Cu-irradiation resulting in a very low Flack parameter of -0.06(3), despite the heaviest element being an oxygen atom, thus...

  12. Structure-configurational entropy and its effect on the thermodynamic stability of uranyl phases: With special application for geological disposal of nuclear waste

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Spent UO2 fuel will rapidly be altered to U6+ phases in nuclear waste repositories. 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 may occur. A systematic survey of the published crystallographic data for uranates, uranyl oxide hydrates, phosphates, silicates, carbonates, and sulfates demonstrates that site-mixing apparently occurs in the structures of at least 31 uranyl phases. Calculations of the ideal site-mixing entropy indicate that the residual contribution that arises from substitution and vacancies to the third-law entropies of some uranyl phases is 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 H2O groups. In the geochemical environment that expected to occur in the near-field of nuclear waste repositories, the existence of structure-configurational entropy may reduce the uranium concentration of several log units in solutions equilibrated with some uranyl phases. Therefore, compositional analysis and structural determinations must be made on the samples used in calorimetric measurements, and the calorimetric data must be combined with solubility data to evaluate the thermodynamic stability of the interested phases.

  13. Absolute configuration and enantiomeric composition of partially resolved mandelic, atrolactic and lactic acids by {sup 1}H NMR of their (S)-2-methylbutyl esters

    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)

  14. Biotransformation of citronellal by Solanum aviculare suspension cultures: preparation of p-menthane-3,8-diols and determination of their absolute configurations.

    Science.gov (United States)

    Vanek, Tomás; Novotný, Michal; Podlipná, Radka; Saman, David; Valterová, Irena

    2003-09-01

    Citronellal was transformed by Solanum aviculare suspension cultures to menthane-3,8-diols. cis-Menthane-3,8-diol dominated over the trans-isomer (39% and 15%, respectively). Absolute configurations of menthane-3,8-diols were assigned by critical analysis of 1H and 19F NMR spectra of prepared esters with 2-methoxy-2-phenyl-3,3,3-trifluoropropanoic acid. Citronellol and isopulegol were other products of the transformation (23% and 17%, respectively). The reaction course was identical for both citronellal enantiomers. PMID:14510606

  15. (RS)-Propranolol: enantioseparation by HPLC using newly synthesized (S)-levofloxacin-based reagent, absolute configuration of diastereomers and recovery of native enantiomers by detagging.

    Science.gov (United States)

    Alwera, Shiv; Bhushan, Ravi

    2016-08-01

    Diastereomers of (RS)-propranolol were synthesized using (S)-levofloxacin-based new chiral derivatizing reagents (CDRs). Levofloxacin was chosen as the pure (S)-enantiomer for its high molar absorptivity (εo  ∼ 24000) and availability at a low price. Its -COOH group had N-hydroxysuccinimide and N-hydroxybenzotriazole, which acted as good leaving groups during nucleophilic substitution by the amino group of the racemic (RS)-propranolol; the CDRs were characterized by UV, IR, (1) H-NMR, high resolution mass spectrometry (HRMS) and carbon, hydrogen, nitrogen, and sulphur fundamental elemental components analyser (CHNS). Diastereomers were separated quantitatively using open column chromatography; absolute configuration of the diastereomers was established and the reagent moiety was detagged under microwave-assisted acidic conditions. (S)- and (R)-propranolol as pure enantiomers and (S)-levofloxacin were separated, isolated and characterized. Optimized lowest-energy structures of the diastereomers were developed using Gaussian 09 Rev. A.02 program and hybrid density functional B3LYP with 6-31G* basis set (based on density functional theory) for explanation of elution order and configuration. In addition, RP HPLC conditions for separation of diastereomers were optimized with respect to pH, concentration of buffer, flow rate of mobile phase and nature of organic modifier. HPLC separation method was validated as per International Conference on Harmonization guidelines. With the systematic application of various analytical techniques, absolute configuration of the diastereomers (and the native enantiomers) of (RS)-propranolol was established. Copyright © 2016 John Wiley & Sons, Ltd. PMID:26682898

  16. Identification of GABA A receptor modulators in Kadsura longipedunculata and assignment of absolute configurations by quantum-chemical ECD calculations

    Science.gov (United States)

    Zaugg, Janine; Ebrahimi, Samad Nejad; Smiesko, Martin; Baburin, Igor; Hering, Steffen; Hamburger, Matthias

    2011-01-01

    A petroleum ether extract of Kadsura longipedunculata enhanced the GABA-induced chloride current (IGABA) by 122.5 ± 0.3% (n = 2) when tested at 100 μg/ml in Xenopus laevis oocytes expressing GABA A receptors (α1β2γ2S subtype) in two-microelectrode voltage clamp measurements. Thirteen compounds were subsequently identified by HPLC-based activity profiling as responsible for GABA A receptor activity and purified in preparative scale. 6-Cinnamoyl-6,7-dihydro-7-myrceneol and 5,6-dihydrocuparenic acid were thereby isolated for the first time. The determination of the absolute stereochemistry of these compounds was achieved by comparison of experimental and calculated ECD spectra. All but one of the 13 isolated compounds from K. longipedunculata potentiated IGABA through GABA A receptors composed of α1β2γ2S subunits in a concentration-dependent manner. Potencies ranged from 12.8 ± 3.1 to 135.6 ± 85.7 μM, and efficiencies ranged from 129.7 ± 36.8% to 885.8 ± 291.2%. The phytochemical profiles of petroleum ether extracts of Kadsura japonica fruits (114.1 ± 2.6% potentiation of IGABA at 100 μg/ml, n = 2), and Schisandra chinensis fruits (inactive at 100 μg/ml) were compared by HPLC-PDA-ESIMS with that of K. longipedunculata. PMID:21889177

  17. Biocatalytic preparation and absolute configuration of enantiomerically pure fungistatic anti-2-benzylindane derivatives. Study of the detoxification mechanism by Botrytis cinerea.

    Science.gov (United States)

    Pinedo-Rivilla, Cristina; Aleu, Josefina; Grande Benito, Manuel; Collado, Isidro G

    2010-08-21

    Enantiomerically pure 2-benzylindane derivatives were prepared using biocatalytic methods and their absolute configuration determined. (1R,2S)-2-Benzylindan-1-ol ((1R,2S)-2) and (S)-2-benzylindan-1-one ((S)-3) were produced by fermenting baker's yeast. Lipase-mediated esterifications and hydrolysis of the corresponding racemic substrates gave rise to the enantiopure compounds (1S,2R)-2-benzylindan-1-ol ((1S,2R)-2) and (1R,2S)-2-benzylindan-1-ol ((1R,2S)-2), respectively. The antifungal activity of these products against two strains of the plant pathogen Botrytis cinerea was tested. The metabolism of anti-(+/-)-2-benzylindan-1-ol (anti-(+/-)-2) by B. cinerea as part of the fungal detoxification mechanism is also described and revealed interesting differences in the genome of both strains.

  18. Absolute configuration, stability, and interconversion of 6,7-dihydro-7-hydroxy-1-hydroxymethyl-5H-pyrrolizine valine adducts and their phenylthiohydantoin derivatives

    Directory of Open Access Journals (Sweden)

    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.

  19. Structure and Absolute Configuration of 20β-Hydroxyprednisolone, a Biotransformed Product of Predinisolone by the Marine Endophytic Fungus Penicilium lapidosum

    Directory of Open Access Journals (Sweden)

    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.

  20. Structural reassignment, absolute configuration, and conformation of hypurticin, a highly flexible polyacyloxy-6-heptenyl-5,6-dihydro-2H-pyran-2-one.

    Science.gov (United States)

    Mendoza-Espinoza, José Alberto; López-Vallejo, Fabian; Fragoso-Serrano, Mabel; Pereda-Miranda, Rogelio; Cerda-García-Rojas, Carlos M

    2009-04-01

    The structural reassignment, absolute configuration, and conformational behavior of the highly flexible natural product hypurticin (pectinolide E), 6S-[3'S,5'R,6'S-triacetoxy-1Z-heptenyl]-5S-acetoxy-5,6-dihydro-2H-pyran-2-one (1), were ascertained by a molecular modeling protocol, which includes extensive conformational searching, geometry optimization by DFT B3LYP/DGDZVP calculations, and comparison between the theoretical (DFT) and experimental (1)H-(1)H NMR coupling constants. Hyptolide (2), a related cytotoxic 5,6-dihydro-2H-pyran-2-one that increased the S phase of the HeLa cell cycle, was employed as a reference substance to validate the theoretical protocol designed to characterize the 3D properties of compound 1. The related synthetic derivative, tri-O-acetyl-3,6-dideoxy-d-glucose diphenyldithioacetal (14), was prepared by a six-step reaction sequence starting from d-glucose and served as an enantiopure building block to reinforce the structural and configurational assignment of 1. This protocol proved to be an important tool for the structural characterization of highly flexible bioactive polyoxygenated natural products. PMID:19265396

  1. Synthesis and absolute configuration of a new 3,4-dihydro-beta-carboline-type alkaloid, 3,4-dehydro-5(S)-5-carboxystrictosidine, isolated from Peruvian Uña de Gato (Uncaria tomentosa).

    Science.gov (United States)

    Kitajima, Mariko; Yokoya, Masashi; Takayama, Hiromitsu; Aimi, Norio

    2002-10-01

    The structure including the absolute configuration of a new glucoalkaloid, 3,4-dehydro-5(S)-5-carboxystrictosidine, isolated from Peruvian Uña de Gato (Cat's Claw, original plant: Uncaria tomentosa), was confirmed by synthesis starting from secologanin and L-tryptophan.

  2. Easy Absolute Values? Absolutely

    Science.gov (United States)

    Taylor, Sharon E.; Mittag, Kathleen Cage

    2015-01-01

    The authors teach a problem-solving course for preservice middle-grades education majors that includes concepts dealing with absolute-value computations, equations, and inequalities. Many of these students like mathematics and plan to teach it, so they are adept at symbolic manipulations. Getting them to think differently about a concept that they…

  3. The final power calibration of the IPEN/MB-01 nuclear reactor for various configurations obtained from the measurements of the absolute average neutron flux

    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)

  4. Low-temperature heat capacity of diopside glass (CaMgSi2O6): A calorimetric test of the configurational-entropy theory applied to the viscosity of liquid silicates

    Science.gov (United States)

    Richet, P.; Robie, R.A.; Hemingway, B.S.

    1986-01-01

    Heat-capacity measurements have been made between 8 and 370 K on an annealed and a rapidly quenched diopside glass. Between 15 and 200 K, Cp does not depend significantly on the thermal history of the glass. Below 15 K Cp is larger for the quenched than for the annealed specimen. The opposite is true above 200 K as a result of what is interpreted as a secondary relaxation around room temperature. The magnitude of these effects, however, is small enough that the relative entropies S(298)-S(0) of the glasses differ by only 0.5 J/mol K, i.e., a figure within the combined experimental uncertainties. The insensitivity of relative entropies to thermal history supports the assumption that the configurational heat capacity of the liquid may be taken as the heat capacity difference between the liquid and the glass (??Cp). Furthermore, this insensitivity allows calculation of the residual entropies at 0 K of diopside glasses as a function of the fictive temperature from the entropy of fusion of diopside and the heat capacities of the crystalline, glassy and liquid phases. For a glass with a fictive temperature of 1005 K, for example, this calorimetric residual entropy is 24.3 ?? 3 J/mol K, in agreement with the prediction made by RICHET (1984) from an analysis of the viscosity data with the configurational-entropy theory of relaxation processes of Adam and Gibbs (1965). In turn, all the viscosity measurements for liquid diopside, which span the range 0.5-4?? 1013 poise, can be quantitatively reproduced through this theory with the calorimetrically determined entropies and ??Cp data. Finally, the unclear significance of "activation energies" for structural interpretations of viscosity data is emphasized, and the importance of ??Cp and glass-transition temperature systematics for determining the composition and temperature dependences of the viscosity is pointed out. ?? 1986.

  5. Synthesis and assignment of absolute configuration of (-)-oleocanthal: a potent, naturally occurring non-steroidal anti-inflammatory and anti-oxidant agent derived from extra virgin olive oils.

    Science.gov (United States)

    Smith, Amos B; Han, Qiang; Breslin, Paul A S; Beauchamp, Gary K

    2005-10-27

    [structure: see text] Effective total syntheses and the assignment of absolute configurations of both the (+)- and (-)-enantiomers of oleocanthal 1 (a.k.a. deacetoxy ligstroside aglycon), the latter derived from extra virgin olive oils and known to be responsible for the back of the throat irritant properties of olive oils, have been achieved. The absolute and relative stereochemistry of the naturally occurring enantiomer (-)-1 proved to be 3S,4E. Both syntheses begin with d-(-)-ribose, proceed in 12 steps, and are achieved with an overall yield of 7%. Both enantiomers proved to be non-steroidal anti-inflammatory and anti-oxidant agents. PMID:16235961

  6. Theoretical searches and spectral computations of preferred conformations of various absolute configurations for a cyclodipeptide, cordycedipeptide A from the culture liquid of Cordyceps sinensis

    Science.gov (United States)

    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.

  7. A Nonempirical Approach for Direct Determination of the Absolute Configuration of 1,2-Diols and Amino Alcohols Using Mg(II)bisporphyrin.

    Science.gov (United States)

    Ikbal, Sk Asif; Dhamija, Avinash; Brahma, Sanfaori; Rath, Sankar Prasad

    2016-07-01

    We report here a simple, facile, and direct nonempirical protocol for determining the absolute stereochemistry of a variety of chiral 1,2-diols and amino alcohols at room temperature with no chemical derivatization using Mg(II)bisporphyrin as a host. Addition of excess substrates resulted in the formation of a 1:2 host-guest complex in which two substrates bind in an unusual endo-endo fashion because of interligand H-bonding within the bisporphyrin cavity leading to the formation of a unidirectional screw in the bisporphyrin moiety that allowed us an accurate absolute stereochemical determination of the chiral substrate via exciton-coupled circular dichroism (ECCD). The sign of the CD couplet has also been found to be inverted when the stereogenic center is moved by one C atom simply from the bound to an unbound functionality and thus able to discriminate between them successfully. Strong complexation of the alcoholic oxygen with Mg(II)bisporphyrin rigidifies the host-guest complex, which eventually enhances its ability to stereochemically differentiate the asymmetric center. The ECCD sign of a large number of substrates has followed consistent and predictable trends; thus, the system is widely applicable. Moreover, computational calculations clearly support the experimental observations along with the absolute stereochemistry of the chiral substrate. PMID:27231970

  8. Absolute configuration of (+)-pinoresinol 4-O-[6''-O-galloyl]-beta-D-glucopyranoside, macarangiosides E, and F isolated from the leaves of Macaranga tanarius.

    Science.gov (United States)

    Matsunami, Katsuyoshi; Otsuka, Hideaki; Kondo, Kazunari; Shinzato, Takakazu; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Yoshio

    2009-07-01

    A lignan glucoside, (+)-pinoresinol 4-O-[6''-O-galloyl]-beta-D-glucopyranoside (1), and two megastigmane glucosides, named macarangiosides E and F (2,3), together with 15 known compounds (4-18) were isolated from leaves of Macaranga tanarius (L.) Müll.-Arg. (Euphorbiaceae). Their structures were elucidated by spectroscopic and chemical analyses. In addition, the absolute stereochemistry of macarangiosides B and C isolated previously from the same plant was also determined for the first time. Compounds 1 and 2 were galloylated on glucose and possessed potent DPPH radical-scavenging activity.

  9. Development of Several New Reactions and Their Application to the Total Synthesis of Biologically Active Natural Products :Synthesis of Linderol A and Determination of Its Absolute Configuration

    Institute of Scientific and Technical Information of China (English)

    Shunsaku Ohta

    2005-01-01

    @@ 1Introduction Linderol A (1), a monoterpene-polyketide, was isolated in 1995 from the fresh bark of Lindera umbellata (Lauraceae), and its absolute structure was not determined[1]. It was also reported potent inhibitory activity of 1 on the melanin biosynthesis of the cultured B-16 melanoma cells[1]. See Fig. 1. On the other hand,we reported in 1995 an interesting multi-tandem reaction of coumarin derivatives (2; W = electron withdrawing group) by treatment with CH2 = S(O)Me2 to yield stereoselectively a tricyclic 2-substituted cyclopenta [ b ] benzofuran-3-ol derivative (4) via a cyclopropane intermediate (3) (Scheme 1)[2].

  10. Multi-period Mean-absolute Deviation Fuzzy Portfolio Selection Model with Entropy Constraints%具有熵约束的多阶段均值-绝对偏差模糊投资组合决策

    Institute of Scientific and Technical Information of China (English)

    张鹏; 张卫国; 曾玉婷

    2016-01-01

    文章运用可能性绝对偏差和比例熵分别度量风险和分散化程度,提出了具有风险控制和线性交易成本的终期财富最大化的多阶段模糊投资组合模型。运用可能理论,将该模型转化为显示的非线性动态优化问题。由于投资过程存在交易成本,上述模型为具有路径依赖性的动态优化问题。文章提出了前向动态规划方法求解。最后,通过实证研究比较了不同熵的取值投资组合最优投资比例和最终财富的变化。%This paper considers a multi-period fuzzy portfolio selection problem maximizing the terminal wealth imposed by risk control, in which risk of assets and the divergence measure of portfolio are, respectively, meas-ured by fuzzy absolute deviation and proportion entropy.Based on the theories of possibility theory, the proposed model is transformed into a crisp nonlinear programming problem.Because of the transaction costs, the multi-period portfolio selection is a dynamic optimization problem with path dependence.Furthermore, a forward dynamic programming method is designed to obtain the optimal portfolio strategy.Finally, an example is given to illustrate the behavior of the proposed model and the designed algorithm.

  11. Absolute advantage

    NARCIS (Netherlands)

    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 a

  12. Crystal structure and absolute configuration of (3aS,4S,5R,7aR-2,2,7-trimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol

    Directory of Open Access Journals (Sweden)

    Mario A. Macías

    2015-09-01

    Full Text Available The absolute configuration of the title compound, C10H16O4, determined as 3aS,4S,5R,7aR on the basis of the synthetic pathway, was confirmed by X-ray diffraction. The molecule contains a five- and a six-membered ring that adopt twisted and envelope conformations, respectively. The dihedral angle between the mean planes of the rings is 76.80 (11° as a result of their cis-fusion. In the crystal, molecules are linked by two pairs of O—H...O hydrogen bonds, forming chains along [010]. These chains are further connected by weaker C—H...O interactions along [100], creating (001 sheets that interact only by weak van der Waals forces.

  13. Assignment of the absolute configuration of (+)-diplopyrone, the main phytotoxin produced by Diplodia mutila, the pathogen of the cork oak decline, by a nonempirical analysis of its chiroptical properties.

    Science.gov (United States)

    Giorgio, Egidio; Maddau, Lucia; Spanu, Emanuela; Evidente, Antonio; Rosini, Carlo

    2005-01-01

    The nonempirical assignment of the absolute configuration of (+)-diplopyrone, the main phytotoxin of Diplodia mutila, i.e., an endophytic fungus, widespread in Sardinian oak forests, and considered one of the main causes of cork oak decline, has been approached by two different methods: (a) the exciton analysis of the circular dichroism (CD) spectrum and (b) the ab initio calculation of the optical rotatory power. Both methods indicate that (+)-diplopyrone is 6-[(1S)-1-hydroxyethyl]-2,4a(S),6(R),8a(S)-tetrahydropyrano[3,2-b]pyran-2-one, so the stereostructure of this important biomolecule is safely determined for the first time. A comparison of advantages and limitations of the two methods of analysis is also presented.

  14. On Entropy Trail

    Science.gov (United States)

    Farokhi, Saeed; Taghavi, Ray; Keshmiri, Shawn

    2015-11-01

    Stealth technology is developed for military aircraft to minimize their signatures. The primary attention was focused on radar signature, followed by the thermal and noise signatures of the vehicle. For radar evasion, advanced configuration designs, extensive use of carbon composites and radar-absorbing material, are developed. On thermal signature, mainly in the infra-red (IR) bandwidth, the solution was found in blended rectangular nozzles of high aspect ratio that are shielded from ground detectors. For noise, quiet and calm jets are integrated into vehicles with low-turbulence configuration design. However, these technologies are totally incapable of detecting new generation of revolutionary aircraft. These shall use all electric, distributed, propulsion system that are thermally transparent. In addition, composite skin and non-emitting sensors onboard the aircraft will lead to low signature. However, based on the second-law of thermodynamics, there is no air vehicle that can escape from leaving an entropy trail. Entropy is thus the only inevitable signature of any system, that once measured, can detect the source. By characterizing the entropy field based on its statistical properties, the source may be recognized, akin to face recognition technology. Direct measurement of entropy is cumbersome, however as a derived property, it can be easily measured. The measurement accuracy depends on the probe design and the sensors onboard. One novel air data sensor suite is introduced with promising potential to capture the entropy trail.

  15. Absolute beginners

    OpenAIRE

    Costa, Carlos Casimiro da; Costa, Jacinta Casimiro da

    2012-01-01

    Tomorrow, I m recovering my Thursday child as an absolute beginner , Transporting you to the essential touch of surface skin and space, Only for you, i do not regret, looking for education in a materia set. My love is your love , my materiality is you making things, The legacy of our ethnography, craftsmen s old and disappear, make me strong hard feelings, Recovering experiences and knowledge sprinkled in powder of stone, wood and metal ( ) reflecting in your dirty face the ...

  16. Basis Entropy

    OpenAIRE

    Chen, Xing

    2016-01-01

    Projective measurement can increase the entropy of a state $\\rho$, the increased entropy is not only up to the basis of projective measurement, but also has something to do with the properties of the state itself. In this paper we define this increased entropy as basis entropy. And then we discuss the usefulness of this new concept by showing its application in explaining the success probability of Grover's algorithm and the existence of quantum discord. And as shown in the paper, this new co...

  17. Absolute Summ

    Science.gov (United States)

    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. .

  18. Determination of the absolute configuration of chiral α-aryloxypropanoic acids using vibrational circular dichroism studies: 2-(2-chlorophenoxy) propanoic acid and 2-(3-chlorophenoxy) propanoic acid

    Science.gov (United States)

    He, Jiangtao; Polavarapu, Prasad L.

    2005-05-01

    The enantiomers of 2-(2-chlorophenoxy) propanoic acid and 2-(3-chlorophenoxy) propanoic acid were resolved on a chiral HPLC column and investigated using mid-infrared vibrational circular dichroism (VCD). Experimental infrared vibrational absorption and VCD spectra were measured in CDCl 3 solution in the 2000-900 cm -1 region and compared with the ab initio predictions of absorption and VCD spectra. The predicted spectra were obtained with density functional theory using B3LYP/6-31G* basis set for the stable and dominant conformers. But the predicted spectra did not provide unambiguous structural information due to intermolecular hydrogen bonding in solution. To eliminate the hydrogen bonding effects, the acids were converted to the corresponding methyl esters and the experimental absorbance and VCD spectra of methyl esters were measured. B3LYP predicted spectra were also obtained for the stable and dominant conformers of the esters. From a comparison of the experimental VCD spectra of methyl esters with corresponding ab initio predictions, the absolute configurations of esters, and therefore of their parent acids, are unambiguously determined to be (+)-( R).

  19. Gravitational entropy of cosmic expansion

    CERN Document Server

    Sussman, Roberto A

    2014-01-01

    We apply a recent proposal to define "gravitational entropy" to the expansion of cosmic voids within the framework of non-perturbative General Relativity. By considering CDM void configurations compatible with basic observational constraints, we show that this entropy grows from post-inflationary conditions towards a final asymptotic value in a late time fully non-linear regime described by the Lemaitre-Tolman-Bondi (LTB) dust models. A qualitatively analogous behavior occurs if we assume a positive cosmological constant consistent with a $\\Lambda$-CDM background model. However, the $\\Lambda$ term introduces a significant suppression of entropy growth with the terminal equilibrium value reached at a much faster rate.

  20. Entropy Maximization

    Indian Academy of Sciences (India)

    K B Athreya

    2009-09-01

    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 $\\int fh_id_=_i$ for $i=1,2,\\ldots,\\ldots k$ the maximizer of entropy is an $f_0$ that is proportional to $\\exp(\\sum c_i h_i)$ for some choice of $c_i$. An extension of this to a continuum of constraints and many examples are presented.

  1. Upper entropy axioms and lower entropy axioms

    Science.gov (United States)

    Guo, Jin-Li; Suo, Qi

    2015-04-01

    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.

  2. Universal entropy relations: entropy formulae and entropy bound

    CERN Document Server

    Liu, Hang; Xu, Wei; Zhu, Bin

    2016-01-01

    We survey the applications of universal entropy relations in black holes with multi-horizons. In sharp distinction to conventional entropy product, the entropy relationship here not only improve our understanding of black hole entropy but was introduced as an elegant technique trick for handling various entropy bounds and sum. Despite the primarily technique role, entropy relations have provided considerable insight into several different types of gravity, including massive gravity, Einstein-Dilaton gravity and Horava-Lifshitz gravity. We present and discuss the results for each one.

  3. 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....

  4. Teaching Absolute Value Meaningfully

    Science.gov (United States)

    Wade, Angela

    2012-01-01

    What is the meaning of absolute value? And why do teachers teach students how to solve absolute value equations? Absolute value is a concept introduced in first-year algebra and then reinforced in later courses. Various authors have suggested instructional methods for teaching absolute value to high school students (Wei 2005; Stallings-Roberts…

  5. Thermodynamics, entropy and waterwheels

    CERN Document Server

    Bagnoli, Franco

    2016-01-01

    In textbooks, it is often repeated that Carnot arrived to the formulation of the second law of thermodynamics without knowing the first, using the caloric theory. In fact, in his book, R\\'eflexions sur la puissance motrice du feu, he often repeats that the "fall" of the caloric through a heat engine is equivalent to the fall of the water through a water wheel. Actually, one can play the analogy between thermal and hydraulic machines all the way down, and discover, with the help of the first principle and introducing the concept of the absolute height, what really "falls" through a waterwheel, i.e., the entropy. Adding a bit of relativity it is possible to extend the analogy to real machines and also to introduce the analogous of third law of thermodynamics.

  6. Carnot to Clausius: Caloric to Entropy

    Science.gov (United States)

    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…

  7. On the Absolute Continuity of the Blackwell Measure

    Science.gov (United States)

    Bárány, Balázs; Kolossváry, István

    2015-04-01

    In 1957, Blackwell expressed the entropy of hidden Markov chains using a measure which can be characterised as an invariant measure for an iterated function system with place-dependent weights. This measure, called the Blackwell measure, plays a central role in understanding the entropy rate and other important characteristics of fundamental models in information theory. We show that for a suitable set of parameter values the Blackwell measure is absolutely continuous for almost every parameter in the case of binary symmetric channels.

  8. Eosinophil count - absolute

    Science.gov (United States)

    Eosinophils; Absolute eosinophil count ... the white blood cell count to give the absolute eosinophil count. ... than 500 cells per microliter (cells/mcL). Normal value ranges may vary slightly among different laboratories. Talk ...

  9. Entropy from the foam, 2

    CERN Document Server

    Garattini, R

    2002-01-01

    A simple model of spacetime foam, made by two different types of wormholes in a semiclassical approximation, is taken under examination: one type is a collection of $N_{w}$ Schwarzschild wormholes, while the other one is made by Schwarzschild-Anti-de Sitter wormholes. The area quantization related to the entropy via the Bekenstein-Hawking formula hints a possible selection between the two configurations. Application to the charged black hole are discussed.

  10. Entropy from the Foam II

    Science.gov (United States)

    Garattini, Remo

    A simple model of space-time foam, made by two different types of wormholes in a semiclassical approximation, is taken under examination: one type is a collection of Nw Schwarzschild wormholes, while the other one is made by Schwarzschild-Anti-de Sitter wormholes. The area quantization related to the entropy via the Bekenstein-Hawking formula hints a possible selection between the two configurations. Application to the charged black hole are discussed.

  11. 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.

  12. Absolute nuclear material assay

    Science.gov (United States)

    Prasad, Manoj K.; Snyderman, Neal J.; Rowland, Mark S.

    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.

  13. Coherent states measurement entropy

    CERN Document Server

    Kwapien, J; Zyczkowski, K; Kwapien, Jaroslaw; Slomczynski, Wojciech; Zyczkowski, Karol

    1996-01-01

    Coherent states (CS) quantum entropy can be split into two components. The dynamical entropy is linked with the dynamical properties of a quantum system. The measurement entropy, which tends to zero in the semiclassical limit, describes the unpredictability induced by the process of a quantum approximate measurement. We study the CS--measurement entropy for spin coherent states defined on the sphere discussing different methods dealing with the time limit n \\to \\infty. In particular we propose an effective technique of computing the entropy by iterated function systems. The dependence of CS--measurement entropy on the character of the partition of the phase space is analysed.

  14. ABSOLUTE NEUTRINO MASSES

    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....

  15. Renyi Entropy and Geometry

    CERN Document Server

    Lee, Jeongseog; Safdi, Benjamin R

    2014-01-01

    Entanglement entropy in even dimensional conformal field theories (CFTs) contains well-known universal terms arising from the conformal anomaly. Renyi entropies are natural generalizations of the entanglement entropy that are much less understood. Above two spacetime dimensions, the universal terms in the Renyi entropies are unknown for general entangling geometries. We conjecture a new structure in the dependence of the four-dimensional Renyi entropies on the intrinsic and extrinsic geometry of the entangling surface. We provide evidence for this conjecture by direct numerical computations in the free scalar and fermion field theories. The computation involves relating the four-dimensional free massless Renyi entropies across cylindrical entangling surfaces to corresponding three-dimensional massive Renyi entropies across circular entangling surfaces. Our numerical technique also allows us to directly probe other interesting aspects of three-dimensional Renyi entropy, including the massless renormalized Reny...

  16. The Holographic Entropy Cone

    CERN Document Server

    Bao, Ning; 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, w...

  17. Empirical entropy in context

    CERN Document Server

    Gagie, Travis

    2007-01-01

    We trace the history of empirical entropy, touching briefly on its relation to Markov processes, normal numbers, Shannon entropy, the Chomsky hierarchy, Kolmogorov complexity, Ziv-Lempel compression, de Bruijn sequences and stochastic complexity.

  18. 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.

  19. Physical entropy, information entropy and their evolution equations

    Institute of Scientific and Technical Information of China (English)

    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.

  20. Entropy Is Simple, Qualitatively.

    Science.gov (United States)

    Lambert, Frank L.

    2002-01-01

    Suggests that qualitatively, entropy is simple. Entropy increase from a macro viewpoint is a measure of the dispersal of energy from localized to spread out at a temperature T. Fundamentally based on statistical and quantum mechanics, this approach is superior to the non-fundamental "disorder" as a descriptor of entropy change. (MM)

  1. Entropies and fractal dimensions

    OpenAIRE

    Sparavigna, Amelia Carolina

    2016-01-01

    In this paper, we discuss the relation between entropy and the fractal dimension, a statistical index which is measuring the complexity of a given pattern, embedded in given spatial dimensions. We will consider the Shannon entropy and the generalized entropies of Tsallis and Kaniadakis

  2. Entropy and Fractal Antennas

    OpenAIRE

    Emanuel Guariglia

    2016-01-01

    The entropies of Shannon, Rényi and Kolmogorov are analyzed and compared together with their main properties. The entropy of some particular antennas with a pre-fractal shape, also called fractal antennas, is studied. In particular, their entropy is linked with the fractal geometrical shape and the physical performance.

  3. Structure–Activity Relationship Study of Selective Excitatory Amino Acid Transporter Subtype 1 (EAAT1) Inhibitor 2-Amino-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (UCPH-101) and Absolute Configurational Assignment Using Infrared and Vibrational

    DEFF Research Database (Denmark)

    Huynh, Tri H.V.; Shim, Irene; Bohr, Henrik;

    2012-01-01

    diastereomeric pairs 11a/11b and 12a/12b were separated by HPLC and the absolute configuration assigned by VCD technique in combination with ab initio Hartree–Fock calculations. Analogues 11a (RS-isomer) and 12b (RR-isomer) inhibited EAAT1 (IC50 values 5.5 and 3.8 μM, respectively), whereas analogues 11b (SS...... rodents, respectively. In this paper, we present the design, synthesis, and pharmacological evaluation of seven 7-N-substituted analogues of UCPH-101/102. Analogue 9 inhibited EAAT1 in the micromolar range (IC50 value 20 μM), whereas analogues 8 and 10 were inactive (IC50 values >100 μM). The......-isomer) and 12a (SR-isomer) failed to inhibit EAAT1 uptake (IC50 values >300 μM)....

  4. Finiteness of entropy for granular media equations

    OpenAIRE

    Tugaut, Julian

    2015-01-01

    The current work deals with the granular media equation, which prob-abilistic interpretation is the McKean-Vlasov diffusion. It is well-known that the Laplacian provides a regularization of the solution. Indeed, for any t > 0, the solution is absolutely continuous with respect to the Lebesgue measure. It has also been proven that all the moments are bounded for positive t. However, the finiteness of the entropy of the solution is a new result, that we present here.

  5. NGS Absolute Gravity Data

    Data.gov (United States)

    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...

  6. Entropy and information

    CERN Document Server

    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.

  7. Absolute Pitch on Music

    OpenAIRE

    Çuhadar, C.Hakan

    2008-01-01

    Musicians are debated people in the academic circles with the claim of they have both various characteristics and different cognitive personalities on the analogy those other people. One of these different characteristics is absolute pitch ability. Absolute pitch (AP) is a cognitive ability which can be characterized as to identify any tones (labeling) at a given pitch without using any external references. According to the different studies which were held in different times, the prevalence ...

  8. Absolute polarimetry at RHIC

    OpenAIRE

    Okada, H.; Alekseev, I.; Bravar, A; Bunce, G.; Dhawan, S.; Eyser, K. O.; Gill, R; Haeberli, W.; Huang, H.; Jinnouchi, O.; Makdisi, Y.; Nakagawa, I.; Nass, A.; Saito, N; Stephenson, E.

    2007-01-01

    Precise and absolute beam polarization measurements are critical for the RHIC spin physics program. Because all experimental spin-dependent results are normalized by beam polarization, the normalization uncertainty contributes directly to final physics uncertainties. We aimed to perform the beam polarization measurement to an accuracy of $\\Delta P_{beam}/P_{beam} < 5%$. The absolute polarimeter consists of Polarized Atomic Hydrogen Gas Jet Target and left-right pairs of silicon strip detector...

  9. 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

  10. Relative entropy equals bulk relative entropy

    CERN Document Server

    Jafferis, Daniel L; Maldacena, Juan; Suh, S Josephine

    2015-01-01

    We consider the gravity dual of the modular Hamiltonian associated to a general subregion of a boundary theory. We use it to argue that the relative entropy of nearby states is given by the relative entropy in the bulk, to leading order in the bulk gravitational coupling. We also argue that the boundary modular flow is dual to the bulk modular flow in the entanglement wedge, with implications for entanglement wedge reconstruction.

  11. Maximum-entropy probability distributions under Lp-norm constraints

    Science.gov (United States)

    Dolinar, S.

    1991-01-01

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

  12. Black hole entropy and entropy of entanglement

    CERN Document Server

    Kabat, D

    1995-01-01

    We compute the one-loop correction to the entropy of a very massive black hole, by evaluating the partition function in the presence of a conical singularity for quantum fields of spin zero, one-half, and one. We compare the results to the entropy of entanglement, defined by the density matrix which describes the ground state of the field as seen from one side of a boundary in Minkowski space. Fields of spin zero and one-half contribute an entropy to the black hole which is identical to their entropy of entanglement. For spin one a contact interaction with the horizon appears in the black hole entropy but is absent from the entropy of entanglement. Expressed as a particle path integral the contact term is an integral over paths which begin and end on the horizon; it is the field theory limit of the interaction proposed by Susskind and Uglum which couples a closed string to an open string stranded on the horizon.

  13. Enthalpy (DeltaH) and entropy (DeltaS) for pi-stacking interactions in near-sandwich configurations: relative importance of electrostatic, dispersive, and charge-transfer effects.

    Science.gov (United States)

    Gung, Benjamin W; Xue, Xiaowen; Zou, Yan

    2007-03-30

    Interactions between two aromatic rings with various substituents in a near-sandwich configuration have been quantitatively studied by using the triptycene derived molecular models. This model system allows a stacking arrangement of two arenes to assume a near-perfect face-to-face configuration in its ground state conformation. Comparing to our previous study of the parallel displaced configuration, repulsive interactions are predominant for most arenes currently studied. However, if one arene is strongly electron deficient (Ar2=pentafluorobenzoate), attractive interactions were observed regardless of the character of the other arene (Ar1). For stacking interactions between Me2NC6H4 and C6F5CO groups, a DeltaH of -1.84+/-0.2 kcal/mol and a DeltaS of -2.9+/-0.8 cal/(mol.K) were determined. The general trend in the attractive stacking interaction toward a pentafluorobenzoate is Me2NC6H4>Me3C6H2>Me2C6H3>MeC6H4>MeOC6H4>C6H5>O2NC6H4. The observed trend is consistent with a donor-acceptor relationship and the acceptor is a C6F5CO group.

  14. Statistical entropy of de Sitter space

    International Nuclear Information System (INIS)

    Quantum gravity in 2+1 dimensions with a positive cosmological constant can be represented as an SL(2,C) Chern-Simons gauge theory. The symmetric vacuum of this theory is a degenerate configuration for which the gauge fields and spacetime metric vanish, while de Sitter space corresponds to a highly excited thermal state. Carlip's approach to black hole entropy can be adapted in this context to determine the statistical entropy of de Sitter space. We find that it equals one-quarter the area of the de Sitter horizon, in agreement with the semiclassical formula. (author)

  15. Black hole entropy quantization

    CERN Document Server

    Corichi, A; Fernandez-Borja, E; Corichi, Alejandro; Diaz-Polo, Jacobo; Fernandez-Borja, Enrique

    2006-01-01

    Ever since the pioneer works of Bekenstein and Hawking, black hole entropy has been known to have a quantum origin. Furthermore, it has long been argued by Bekenstein that entropy should be quantized in discrete (equidistant) steps given its identification with horizon area in (semi-)classical general relativity and the properties of area as an adiabatic invariant. This lead to the suggestion that black hole area should also be quantized in equidistant steps to account for the discrete black hole entropy. Here we shall show that loop quantum gravity, in which area is not quantized in equidistant steps can nevertheless be consistent with Bekenstein's equidistant entropy proposal in a subtle way. For that we perform a detailed analysis of the number of microstates compatible with a given area and show that an observed oscillatory behavior in the entropy-area relation, when properly interpreted yields an entropy that has discrete, equidistant values that are consistent with the Bekenstein framework.

  16. 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...

  17. Black Hole Entropy from Entropy of Hawking Radiation

    CERN Document Server

    Aghapour, Sajad

    2016-01-01

    We provide a simple way for calculating the entropy of a Schwarzschild black hole from the entropy of its Hawking radiation. To this end, we show that if a thermodynamic system loses its energy only through the black body radiation, its loss of entropy is always 3/4 of the entropy of the emitted radiation. This proposition enables us to relate the entropy of an evaporating black hole to the entropy of its Hawking radiation. Explicitly, by calculating the entropy of the Hawking radiation emitted in the full period of evaporation of the black hole, we find the Bekenstein-Hawking entropy of the initial black hole.

  18. Renyi extrapolation of Shannon entropy

    CERN Document Server

    Zyczkowski, K

    2003-01-01

    Relations between Shannon entropy and Renyi entropies of integer order are discussed. For any N-point discrete probability distribution for which the Renyi entropies of order two and three are known, we provide an lower and an upper bound for the Shannon entropy. The average of both bounds provide an explicit extrapolation for this quantity. These results imply relations between the von Neumann entropy of a mixed quantum state, its linear entropy and traces.

  19. Entropy of the Universe

    OpenAIRE

    Berman, Marcelo Samuel

    2009-01-01

    After a discussion on several limiting cases where General Relativity turns into less sophisticated theories, we find that in the correct thermodynamical and cosmological weak field limit of Einstein's field equations the entropy of the Universe is R^(3/2) -- dependent, where R stands for the radius of the causally related Universe. Thus, entropy grows in the Universe, contrary to Standard Cosmology prediction.

  20. Gravitational Entropy and Inflation

    Directory of Open Access Journals (Sweden)

    Øystein Elgarøy

    2013-09-01

    Full Text Available The main topic of this paper is a description of the generation of entropy at the end of the inflationary era. As a generalization of the present standard model of the Universe dominated by pressureless dust and a Lorentz invariant vacuum energy (LIVE, we first present a flat Friedmann universe model, where the dust is replaced with an ideal gas. It is shown that the pressure of the gas is inversely proportional to the fifth power of the scale factor and that the entropy in a comoving volume does not change during the expansion. We then review different measures of gravitational entropy related to the Weyl curvature conjecture and calculate the time evolution of two proposed measures of gravitational entropy in a LIVE-dominated Bianchi type I universe, and a Lemaitre-Bondi-Tolman universe with LIVE. Finally, we elaborate upon a model of energy transition from vacuum energy to radiation energy, that of Bonanno and Reuter, and calculate the time evolution of the entropies of vacuum energy and radiation energy. We also calculate the evolution of the maximal entropy according to some recipes and demonstrate how a gap between the maximal entropy and the actual entropy opens up at the end of the inflationary era.

  1. Fractal von Neumann entropy

    OpenAIRE

    da Cruz, Wellington

    2002-01-01

    We consider the {\\it fractal von Neumann entropy} associated with the {\\it fractal distribution function} and we obtain for some {\\it universal classes h of fractons} their entropies. We obtain also for each of these classes a {\\it fractal-deformed Heisenberg algebra}. This one takes into account the braid group structure of these objects which live in two-dimensional multiply connected space.

  2. On Lieb's entropy conjecture

    International Nuclear Information System (INIS)

    The reformulation of Lieb's entropy conjecture, in the frame of the harmonic analysis on the SO(3) group, makes it evident that the exact value of the classical entropy of a pure quantum state, which belongs to the Hilbert space Hsub(J) of a (2J+1) - dimensional, unitary, irreducible representation Usub(J) of the SO(3) group, depends only on the parameters which characterize the orbits of Usub(J) in Hsub(J). In the case J = 1 we give the exact analytic dependence of the classical entropy of a quantum state on the parameter which characterizes the orbits and as a consequence we obtain a verification of Lieb's entropy conjecture. We verify this conjecture also for any value of J for the states of the canonical basis of Hsub(J). A natural generalization of Lieb's entropy conjecture, which is a new ''phenomenon'' in the harmonic analysis on SO(3), is discussed in the case J = 1. (author)

  3. Entropic Measure for Localized Energy Configurations: Kinks, Bounces, and Bubbles

    CERN Document Server

    Gleiser, Marcelo

    2011-01-01

    We construct a configurational entropy measure in functional space. We apply it to several nonlinear scalar field models featuring solutions with spatially-localized energy, including solitons and bounces in one spatial dimension, and critical bubbles in three spatial dimensions, typical of first-order phase transitions. Such field models are of widespread interest in many areas of physics, from high energy and cosmology to condensed matter. Using a variational approach, we show that the higher the energy of a trial function that approximates the actual solution, the higher its relative configurational entropy. Furthermore, we show that when different trial functions have degenerate energies, the configurational entropy can be used to select the best fit to the actual solution. The configurational entropy relates the dynamical and informational content of physical models and can be applied to any nonlinear field model.

  4. 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.

  5. Numerical viscosity of entropy stable schemes for systems of conservation laws. Final Report

    International Nuclear Information System (INIS)

    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

  6. Entropy coherent and entropy convex measures of risk

    NARCIS (Netherlands)

    R.J.A. Laeven; M. Stadje

    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 measur

  7. Entropy Production of Stars

    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.

  8. Renormalized entanglement entropy

    CERN Document Server

    Taylor, Marika

    2016-01-01

    We develop a renormalization method for holographic entanglement entropy based on area renormalization of entangling surfaces. The renormalized entanglement entropy is derived for entangling surfaces in asymptotically locally anti-de Sitter spacetimes in general dimensions and for entangling surfaces in four dimensional holographic renormalization group flows. The renormalized entanglement entropy for disk regions in $AdS_4$ spacetimes agrees precisely with the holographically renormalized action for $AdS_4$ with spherical slicing and hence with the F quantity, in accordance with the Casini-Huerta-Myers map. We present a generic class of holographic RG flows associated with deformations by operators of dimension $3/2 < \\Delta < 5/2$ for which the F quantity increases along the RG flow, hence violating the strong version of the F theorem. We conclude by explaining how the renormalized entanglement entropy can be derived directly from the renormalized partition function using the replica trick i.e. our re...

  9. ABSOLUTE POLARIMETRY AT RHIC.

    Energy Technology Data Exchange (ETDEWEB)

    OKADA; BRAVAR, A.; BUNCE, G.; GILL, R.; HUANG, H.; MAKDISI, Y.; NASS, A.; WOOD, J.; ZELENSKI, Z.; ET AL.

    2007-09-10

    Precise and absolute beam polarization measurements are critical for the RHIC spin physics program. Because all experimental spin-dependent results are normalized by beam polarization, the normalization uncertainty contributes directly to final physics uncertainties. We aimed to perform the beam polarization measurement to an accuracy Of {Delta}P{sub beam}/P{sub beam} < 5%. The absolute polarimeter consists of Polarized Atomic Hydrogen Gas Jet Target and left-right pairs of silicon strip detectors and was installed in the RHIC-ring in 2004. This system features proton-proton elastic scattering in the Coulomb nuclear interference (CNI) region. Precise measurements of the analyzing power A{sub N} of this process has allowed us to achieve {Delta}P{sub beam}/P{sub beam} = 4.2% in 2005 for the first long spin-physics run. In this report, we describe the entire set up and performance of the system. The procedure of beam polarization measurement and analysis results from 2004-2005 are described. Physics topics of AN in the CNI region (four-momentum transfer squared 0.001 < -t < 0.032 (GeV/c){sup 2}) are also discussed. We point out the current issues and expected optimum accuracy in 2006 and the future.

  10. Absolute polarimetry at RHIC

    CERN Document Server

    Okada, H; Bravar, A; Bunce, G; Dhawan, S; Eyser, K O; Gill, R; Haeberli, W; Huang, H; Jinnouchi, O; Makdisi, Y; Nakagawa, I; Nass, A; Saitô, N; Stephenson, E; Sviridia, D; Wise, T; Wood, J; Zelenski, A

    2007-01-01

    Precise and absolute beam polarization measurements are critical for the RHIC spin physics program. Because all experimental spin-dependent results are normalized by beam polarization, the normalization uncertainty contributes directly to final physics uncertainties. We aimed to perform the beam polarization measurement to an accuracy of $\\Delta P_{beam}/P_{beam} < 5%$. The absolute polarimeter consists of Polarized Atomic Hydrogen Gas Jet Target and left-right pairs of silicon strip detectors and was installed in the RHIC-ring in 2004. This system features \\textit{proton-proton} elastic scattering in the Coulomb nuclear interference (CNI) region. Precise measurements of the analyzing power $A_N$ of this process has allowed us to achieve $\\Delta P_{beam}/P_{beam} =4.2%$ in 2005 for the first long spin-physics run. In this report, we describe the entire set up and performance of the system. The procedure of beam polarization measurement and analysis results from 2004-2005 are described. Physics topics of $A...

  11. Psychotherapy as entropy management

    OpenAIRE

    McKenzie, Karen; Murray, George

    2013-01-01

    We present the hypothesis that the laws of thermodynamics can be usefully applied to psychotherapy. In this model psychotherapy is presented as a means of entropy management, whereby the patient trades entropy (in this case the expressed symptoms of mental disorder) with the therapist. The therapist serves to increase the capacity of the patient, both through developing a shared understanding of the challenges the patient faces and through generating shared solutions. This process can be unde...

  12. Entropy and economic modelling

    OpenAIRE

    D F Batten; Roy, J R

    1982-01-01

    Entropy-maximizing models have been focused predominantly at the microscopic level of social and economic activities, their use being advocated by urban geographers, mathematicians, and microeconomists. By maintaining a sharp distinction between the behavioural and statistical aspects of entropy, various submodels may be formulated to generate the most probable pattern of individual choice behaviour. It may nevertheless be possible to regard each submodel of activity as an essential component...

  13. Challenges about entropy

    OpenAIRE

    Gross, D. H. E.

    2006-01-01

    The physical meaning of entropy is analyzed in the context of statistical, nuclear, atomic physics and cosmology. Only the microcanonical Boltzmann entropy leads to no contradictions in several simple, elementary and for thermodynamics important situations. The conventional canonical statistics implies several serious errors and misinterpretations. This has far reaching consequences for phase-separations as well for the usual formulations of the second law. Applications in cosmology suffer un...

  14. Anomalies and Entanglement Entropy

    CERN Document Server

    Nishioka, Tatsuma

    2015-01-01

    We initiate a systematic study of entanglement and Renyi entropies in the presence of gauge and gravitational anomalies in even-dimensional quantum field theories. We argue that the mixed and gravitational anomalies are sensitive to boosts and obtain a closed form expression for their behavior under such transformations. Explicit constructions exhibiting the dependence of entanglement entropy on boosts is provided for theories on spacetimes with non-trivial magnetic fluxes and (or) non-vanishing Pontryagin classes.

  15. Multifractals and Entropy Computing

    CERN Document Server

    Slomczynski, W; Zyczkowski, K; Slomczynski, Wojciech; Kwapien, Jaroslaw; Zyczkowski, Karol

    1998-01-01

    We discuss the properties of invariant measures corresponding to iterated function systems (IFSs) with place-dependent probabilities and compute their shown that with certain dynamical systems one can associate the corresponding IFSs in such a way that their generalized entropies are equal. We use this method to compute entropy of some classical and quantum dynamical systems. Numerical techniques are based on integration over fractal measures.

  16. Entropy and Economics

    OpenAIRE

    John Scales Avery

    2012-01-01

    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 m...

  17. Entropy And Vision

    OpenAIRE

    Kanhouche, Rami

    2006-01-01

    In vector quantization the number of vectors used to construct the codebook is always an undefined problem, there is always a compromise between the number of vectors and the quantity of information lost during the compression. In this text we present a minimum of Entropy principle that gives solution to this compromise and represents an Entropy point of view of signal compression in general. Also we present a new adaptive Object Quantization technique that is the same for the compression and...

  18. Entropy Production at RHIC

    OpenAIRE

    Pal, Subrata; Pratt, Scott

    2003-01-01

    For central heavy ion collisions at the RHIC energy, the entropy per unit rapidity dS/dy at freeze-out is extracted with minimal model dependence from available experimental measurements of particle yields, spectra, and source sizes estimated from two-particle interferometry. The extracted entropy rapidity density is consistent with lattice gauge theory results for a thermalized quark-gluon plasma with an energy density estimated from transverse energy production at RHIC.

  19. Hypertext Configurations

    DEFF Research Database (Denmark)

    Finnemann, Niels Ole

    2016-01-01

    , links, interactive processes, and time scalings, and that the hypertext configuration is a major but not sole source of the messiness of big data. The notion of hypertext will be revalidated, placed at the center of the interpretation of networked digital media, and used in the analysis of the fast...

  20. Quantum Games Entropy

    CERN Document Server

    Guevara, E

    2006-01-01

    We propose the study of quantum games from the point of view of quantum information theory and statistical mechanics. Every game can be described by a density operator, with its entropy equal to von Neumann's and its evolution given by the quantum replicator dynamics. There exists a strong relationship between game theory, quantum information theory and statistical physics. The density operator and entropy are the bonds between these theories. The analysis we propose for the study of these games is based on the properties of entropy, the amount of information that a player can obtain about his opponent and a maximum or minimum entropy criterion. The natural trend of a physical system is to its maximum entropy state. The minimum entropy state is a characteristic of a "manipulated" system i.e. externally controlled or imposed. There exists tacit rules inside a system that do not need to be specified nor clarified and search the system equilibrium under the collective welfare principle. The other rules are impos...

  1. 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.

  2. Optical tweezers absolute calibration

    CERN Document Server

    Dutra, R S; Neto, P A Maia; Nussenzveig, H M

    2014-01-01

    Optical tweezers are highly versatile laser traps for neutral microparticles, with fundamental applications in physics and in single molecule cell biology. Force measurements are performed by converting the stiffness response to displacement of trapped transparent microspheres, employed as force transducers. Usually, calibration is indirect, by comparison with fluid drag forces. This can lead to discrepancies by sizable factors. Progress achieved in a program aiming at absolute calibration, conducted over the past fifteen years, is briefly reviewed. Here we overcome its last major obstacle, a theoretical overestimation of the peak stiffness, within the most employed range for applications, and we perform experimental validation. The discrepancy is traced to the effect of primary aberrations of the optical system, which are now included in the theory. All required experimental parameters are readily accessible. Astigmatism, the dominant effect, is measured by analyzing reflected images of the focused laser spo...

  3. Swiveled Rényi entropies

    Science.gov (United States)

    Dupuis, Frédéric; Wilde, Mark M.

    2016-03-01

    This paper introduces "swiveled Rényi entropies" as an alternative to the Rényi entropic quantities put forward in Berta et al. (Phys Rev A 91(2):022333, 2015). What distinguishes the swiveled Rényi entropies from the prior proposal of Berta et al. is that there is an extra degree of freedom: an optimization over unitary rotations with respect to particular fixed bases (swivels). A consequence of this extra degree of freedom is that the swiveled Rényi entropies are ordered, which is an important property of the Rényi family of entropies. The swiveled Rényi entropies are, however, generally discontinuous at α =1 and do not converge to the von Neumann entropy-based measures in the limit as α rightarrow 1, instead bounding them from above and below. Particular variants reduce to known Rényi entropies, such as the Rényi relative entropy or the sandwiched Rényi relative entropy, but also lead to ordered Rényi conditional mutual information and ordered Rényi generalizations of a relative entropy difference. Refinements of entropy inequalities such as monotonicity of quantum relative entropy and strong subadditivity follow as a consequence of the aforementioned properties of the swiveled Rényi entropies. Due to the lack of convergence at α =1, it is unclear whether the swiveled Rényi entropies would be useful in one-shot information theory, so that the present contribution represents partial progress toward this goal.

  4. Comparisons of Black Hole Entropy

    CERN Document Server

    Kupferman, Judy

    2016-01-01

    In this thesis I examine several different concepts of black hole entropy in order to understand whether they describe the same quantity. I look at statistical and entanglement entropies, Wald entropy and Carlip's entropy from conformal field theory, and compare their behavior in a few specific aspects: divergence at the BH horizon, dependence on space time curvature and behavior under a geometric variation. I find that statistical and entanglement entropy may be similar but they seem to differ from the entropy of Wald and Carlip. Chapters 2 and 3 overlap with 1010.4157 and 1310.3938. Chapter 4 does not appear elsewhere.

  5. 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

  6. Minimum Entropy Orientations

    CERN Document Server

    Cardinal, Jean; Joret, Gwenaël

    2008-01-01

    We study graph orientations that minimize the entropy of the in-degree sequence. The problem of finding such an orientation is an interesting special case of the minimum entropy set cover problem previously studied by Halperin and Karp [Theoret. Comput. Sci., 2005] and by the current authors [Algorithmica, to appear]. We prove that the minimum entropy orientation problem is NP-hard even if the graph is planar, and that there exists a simple linear-time algorithm that returns an approximate solution with an additive error guarantee of 1 bit. This improves on the only previously known algorithm which has an additive error guarantee of log_2 e bits (approx. 1.4427 bits).

  7. Entropy and quantum gravity

    CERN Document Server

    Kay, Bernard S

    2015-01-01

    We give an account of the 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 new 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. We also very briefly review some recent related work on the nature of equilibrium states involving quantum black holes and point out how it promises to resolve some puzzling issues in the current version of the string theory approach to black hole entropy.

  8. Classifying Entropy Measures

    Directory of Open Access Journals (Sweden)

    Angel Garrido

    2011-07-01

    Full Text Available Our paper analyzes some aspects of Uncertainty Measures. We need to obtain new ways to model adequate conditions or restrictions, constructed from vague pieces of information. The classical entropy measure originates from scientific fields; more specifically, from Statistical Physics and Thermodynamics. With time it was adapted by Claude Shannon, creating the current expanding Information Theory. However, the Hungarian mathematician, Alfred Rényi, proves that different and valid entropy measures exist in accordance with the purpose and/or need of application. Accordingly, it is essential to clarify the different types of measures and their mutual relationships. For these reasons, we attempt here to obtain an adequate revision of such fuzzy entropy measures from a mathematical point of view.

  9. Information Entropy Dynamics and Maximum Entropy Production Principle

    OpenAIRE

    Fradkov, Alexander L.; Shalymov, Dmitry S.

    2014-01-01

    The asymptotic convergence of probability density function (pdf) and convergence of differential entropy are examined for the non-stationary processes that follow the maximum entropy principle (MaxEnt) and maximum entropy production principle (MEPP). Asymptotic convergence of pdf provides new justification of MEPP while convergence of differential entropy is important in asymptotic analysis of communication systems. A set of equations describing the dynamics of pdf under mass conservation and...

  10. Entanglement Entropy and Duality

    CERN Document Server

    Radicevic, Djordje

    2016-01-01

    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.

  11. Challenges about entropy

    CERN Document Server

    Gross, D H E

    2006-01-01

    The physical meaning of entropy is analyzed in the context of statistical, nuclear, atomic physics and cosmology. Only the microcanonical Boltzmann entropy leads to no contradictions in several simple, elementary and for thermodynamics important situations. The conventional canonical statistics implies several serious errors and misinterpretations. This has far reaching consequences for phase-separations as well for the usual formulations of the second law. Applications in cosmology suffer under the ubiquitous use of canonical statistics. New reformulations in terms of microcanonical statistics are highly demanded but certainly difficult.

  12. MULTISCALE COMPLEXITY/ENTROPY

    OpenAIRE

    Y. BAR-YAM

    2004-01-01

    We discuss the role of scale dependence of entropy/complexity and its relationship to component interdependence. The complexity as a function of scale of observation is expressed in terms of subsystem entropies for a system having a description in terms of variables that have the same a priori scale. The sum of the complexity over all scales is the same for any system with the same number of underlying degrees of freedom (variables), even though the complexity at specific scales differs due t...

  13. Entropy, materials, and posterity

    Science.gov (United States)

    Cloud, P.

    1977-01-01

    Materials and energy are the interdependent feedstocks of economic systems, and thermodynamics is their moderator. It costs energy to transform the dispersed minerals of Earth's crust into ordered materials and structures. And it costs materials to collect and focus the energy to perform work - be it from solar, fossil fuel, nuclear, or other sources. The greater the dispersal of minerals sought, the more energy is required to collect them into ordered states. But available energy can be used once only. And the ordered materials of industrial economies become disordered with time. They may be partially reordered and recycled, but only at further costs in energy. Available energy everywhere degrades to bound states and order to disorder - for though entropy may be juggled it always increases. Yet industry is utterly dependent on low entropy states of matter and energy, while decreasing grades of ore require ever higher inputs of energy to convert them to metals, with ever increasing growth both of entropy and environmental hazard. Except as we may prize a thing for its intrinsic qualities - beauty, leisure, love, or gold - low-entropy is the only thing of real value. It is worth whatever the market will bear, and it becomes more valuable as entropy increases. It would be foolish of suppliers to sell it more cheaply or in larger amounts than their own enjoyment of life requires, whatever form it may take. For this reason, and because of physical constraints on the availability of all low-entropy states, the recent energy crises is only the first of a sequence of crises to be expected in energy and materials as long as current trends continue. The apportioning of low-entropy states in a modern industrial society is achieved more or less according to the theory of competitive markets. But the rational powers of this theory suffer as the world grows increasingly polarized into rich, over-industrialized nations with diminishing resource bases and poor, supplier nations

  14. Maximum Entropy Fundamentals

    Directory of Open Access Journals (Sweden)

    F. Topsøe

    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

  15. Dimensional Equations of Entropy

    CERN Document Server

    Sparavigna, Amelia Carolina

    2015-01-01

    Entropy is a quantity which is of great importance in physics and chemistry. The concept comes out of thermodynamics, proposed by Rudolf Clausius in his analysis of Carnot cycle and linked by Ludwig Boltzmann to the number of specific ways in which a physical system may be arranged. Any physics classroom, in its task of learning physics, has therefore to face this crucial concept. As we will show in this paper, the lectures can be enriched by discussing dimensional equations linked to the entropy of some physical systems.

  16. Combinatorial Image Entropy

    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....

  17. MoNbTaV Medium-Entropy Alloy

    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.

  18. The entropy balance for boiling flow

    Energy Technology Data Exchange (ETDEWEB)

    Collado, Francisco-Javier E-mail: fjk@posta.unizar.es

    2001-10-01

    Subcooled forced convection boiling of water is recognized as one of the best means of accommodating the very high heat fluxes that plasma facing components of fusion reactors have to withstand. The boiling curve, giving the wall temperature in function of the applied flux and flow conditions, is essential for the design of such cooling configurations. In this paper, a new entropy balance for subcooled boiling flow, which allows the wall temperature to be obtained, is presented and successfully compared with experimental data from the Joint US-EURATOM R and D Program. The derivation of this entropy balance is based on a new strict application of the Reynolds theorem to multiphase flows recently proposed by the author.

  19. The role of configurational entropy in biochemical cooperativity.

    Science.gov (United States)

    Jusuf, Sutjano; Loll, Patrick J; Axelsen, Paul H

    2002-04-10

    Cooperativity is a common biochemical phenomenon in which two or more otherwise independent processes are thermodynamically coupled. Because cooperative processes are usually attended by changes in molecular conformation, thermodynamic coupling is usually attributed to an enthalpy-driven mechanism. In the family of glycopeptide antibiotics that includes vancomycin, however, cooperative phenomena occur that cannot be explained by conformational change. In this communication, we demonstrate that cooperativity in these systems can arise solely from changes in vibrational activity. PMID:11929222

  20. Third law of thermodynamics as a key test of generalized entropies.

    Science.gov (United States)

    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. PMID:25768456

  1. 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.

  2. Estimating Absolute Site Effects

    Energy Technology Data Exchange (ETDEWEB)

    Malagnini, L; Mayeda, K M; Akinci, A; Bragato, P L

    2004-07-15

    The authors use previously determined direct-wave attenuation functions as well as stable, coda-derived source excitation spectra to isolate the absolute S-wave site effect for the horizontal and vertical components of weak ground motion. They used selected stations in the seismic network of the eastern Alps, and find the following: (1) all ''hard rock'' sites exhibited deamplification phenomena due to absorption at frequencies ranging between 0.5 and 12 Hz (the available bandwidth), on both the horizontal and vertical components; (2) ''hard rock'' site transfer functions showed large variability at high-frequency; (3) vertical-motion site transfer functions show strong frequency-dependence, and (4) H/V spectral ratios do not reproduce the characteristics of the true horizontal site transfer functions; (5) traditional, relative site terms obtained by using reference ''rock sites'' can be misleading in inferring the behaviors of true site transfer functions, since most rock sites have non-flat responses due to shallow heterogeneities resulting from varying degrees of weathering. They also use their stable source spectra to estimate total radiated seismic energy and compare against previous results. they find that the earthquakes in this region exhibit non-constant dynamic stress drop scaling which gives further support for a fundamental difference in rupture dynamics between small and large earthquakes. To correct the vertical and horizontal S-wave spectra for attenuation, they used detailed regional attenuation functions derived by Malagnini et al. (2002) who determined frequency-dependent geometrical spreading and Q for the region. These corrections account for the gross path effects (i.e., all distance-dependent effects), although the source and site effects are still present in the distance-corrected spectra. The main goal of this study is to isolate the absolute site effect (as a function of frequency

  3. 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.

  4. Rescaling Temperature and Entropy

    Science.gov (United States)

    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…

  5. Entropy and cosmology.

    Science.gov (United States)

    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

  6. Entropy equilibrium equation and dynamic entropy production in environment liquid

    Institute of Scientific and Technical Information of China (English)

    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.

  7. Be Resolute about Absolute Value

    Science.gov (United States)

    Kidd, Margaret L.

    2007-01-01

    This article explores how conceptualization of absolute value can start long before it is introduced. The manner in which absolute value is introduced to students in middle school has far-reaching consequences for their future mathematical understanding. It begins to lay the foundation for students' understanding of algebra, which can change…

  8. Maximizing Entropy over Markov Processes

    DEFF Research Database (Denmark)

    Biondi, Fabrizio; Legay, Axel; Nielsen, Bo Friis;

    2013-01-01

    computation reduces to finding a model of a specification with highest entropy. Entropy maximization for probabilistic process specifications has not been studied before, even though it is well known in Bayesian inference for discrete distributions. We give a characterization of global entropy of a process...... 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...

  9. Speeding up Derivative Configuration from Product Platforms

    Directory of Open Access Journals (Sweden)

    Ruben Heradio

    2014-06-01

    Full Text Available To compete in the global marketplace, manufacturers try to differentiate their products by focusing on individual customer needs. Fulfilling this goal requires that companies shift from mass production to mass customization. Under this approach, a generic architecture, named product platform, is designed to support the derivation of customized products through a configuration process that determines which components the product comprises. When a customer configures a derivative, typically not every combination of available components is valid. To guarantee that all dependencies and incompatibilities among the derivative constituent components are satisfied, automated configurators are used. Flexible product platforms provide a big number of interrelated components, and so, the configuration of all, but trivial, derivatives involves considerable effort to select which components the derivative should include. Our approach alleviates that effort by speeding up the derivative configuration using a heuristic based on the information theory concept of entropy.

  10. Local Entropy, Metric Entropy and Topological Entropy for Countable Discrete Amenable Group Actions

    Science.gov (United States)

    Ren, Xiankun; Sun, Wenxiang

    2016-06-01

    Let X be a compact metric space and G a countable infinite discrete amenable group acting on X. Like in the ℤ-action cases we define the notion of local entropy and by it we bound the difference between metric entropy and that of a partition, and bound the difference between topological entropy and that of a separated set, which generalize Theorems 1(1) and 1(2) in [Newhouse, 1989] from ℤ-actions to amenable group actions. We further prove that the entropy function hμ(G) is upper semi-continuous on ℳ(X,G) for an asymptotic entropy expansive amenable group action.

  11. Holographic Entanglement Entropy

    CERN Document Server

    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...

  12. Entropy in Social Networks

    OpenAIRE

    Pfaltz, John L.

    2012-01-01

    We introduce the concepts of closed sets and closure operators as mathematical tools for the study of social networks. Dynamic networks are represented by transformations. It is shown that under continuous change/transformation, all networks tend to "break down" and become less complex. It is a kind of entropy. The product of this theoretical decomposition is an abundance of triadically closed clusters which sociologists have observed in practice. This gives credence to the relevance of this ...

  13. 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.

  14. Physical Metallurgy of High-Entropy Alloys

    Science.gov (United States)

    Yeh, Jien-Wei

    2015-08-01

    Two definitions of high-entropy alloys (HEAs), based on composition and entropy, are reviewed. Four core effects, i.e., high entropy, sluggish diffusion, severe lattice distortion, and cocktail effects, are mentioned to show the uniqueness of HEAs. The current state of physical metallurgy is discussed. As the compositions of HEAs are entirely different from that of conventional alloys, physical metallurgy principles might need to be modified for HEAs. The thermodynamics, kinetics, structure, and properties of HEAs are briefly discussed relating with the four core effects of HEAs. Among these, a severe lattice distortion effect is particularly emphasized because it exerts direct and indirect influences on many aspects of microstructure and properties. Because a constituent phase in HEAs can be regarded as a whole-solute matrix, every lattice site in the matrix has atomic-scale lattice distortion. In such a distorted lattice, point defects, line defects, and planar defects are different from those in conventional matrices in terms of atomic configuration, defect energy, and dynamic behavior. As a result, mechanical and physical properties are significantly influenced by such a distortion. Suitable mechanisms and theories correlating composition, microstructure, and properties for HEAs are required to be built in the future. Only these understandings make it possible to complete the physical metallurgy of the alloy world.

  15. Warped entanglement entropy

    International Nuclear Information System (INIS)

    We study the applicability of the covariant holographic entanglement entropy proposal to asymptotically warped AdS3 spacetimes with an SL(2,ℝ)×U(1) isometry. We begin by applying the proposal to locally AdS3 backgrounds which are written as an ℝ1 fibration over AdS2. We then perturb away from this geometry by considering a warping parameter a=1+δ to get an asymptotically warped AdS3 spacetime and compute the dual entanglement entropy perturbatively in δ. We find that for large separation in the fiber coordinate, the entanglement entropy can be computed to all orders in δ and takes the universal form appropriate for two-dimensional CFTs. The warping-dependent central charge thus identified exactly agrees with previous calculations in the literature. Performing the same perturbative calculations for the warped BTZ black hole again gives universal two-dimensional CFT answers, with the left-moving and right-moving temperatures appearing appropriately in the result

  16. Information and Entropy

    Science.gov (United States)

    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.

  17. Information and Entropy

    CERN Document Server

    Caticha, Ariel

    2007-01-01

    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 ...

  18. Entropy and Quantum Gravity

    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.

  19. Quantum Dynamical Entropies and Gács Algorithmic Entropy

    Directory of Open Access Journals (Sweden)

    Fabio Benatti

    2012-07-01

    Full Text Available Several quantum dynamical entropies have been proposed that extend the classical Kolmogorov–Sinai (dynamical entropy. The same scenario appears in relation to the extension of algorithmic complexity theory to the quantum realm. A theorem of Brudno establishes that the complexity per unit time step along typical trajectories of a classical ergodic system equals the KS-entropy. In the following, we establish a similar relation between the Connes–Narnhofer–Thirring quantum dynamical entropy for the shift on quantum spin chains and the Gács algorithmic entropy. We further provide, for the same system, a weaker linkage between the latter algorithmic complexity and a different quantum dynamical entropy proposed by Alicki and Fannes.

  20. ROE Absolute Sea Level Changes

    Data.gov (United States)

    U.S. Environmental Protection Agency — This raster dataset represents changes in absolute sea level along U.S. coasts from 1993 to 2014. Data were provided by the University of Colorado at Boulder (2015)...

  1. Gyrokinetic Statistical Absolute Equilibrium and Turbulence

    Energy Technology Data Exchange (ETDEWEB)

    Jian-Zhou Zhu and Gregory W. Hammett

    2011-01-10

    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.

  2. An exploration for the macroscopic physical meaning of entropy

    Institute of Scientific and Technical Information of China (English)

    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.

  3. Entropy Meters and the Entropy of Non-extensive Systems

    CERN Document Server

    Lieb, Elliott H

    2014-01-01

    In our derivation of the second law of thermodynamics from the relation of adiabatic accessibility of equilibrium states we stressed the importance of being able to scale a system's size without changing its intrinsic properties. This leaves open the question of defining the entropy of macroscopic, but unscalable systems, such as gravitating bodies or systems where surface effects are important. We show here how the problem can be overcome, in principle, with the aid of an `entropy meter'. An entropy meter can also be used to determine entropy functions for non-equilibrium states and mesoscopic systems.

  4. New concept for quantification of similarity relates entropy and energy of objects: First and Second Law entangled, equivalence of temperature and time proposed

    CERN Document Server

    Zimak, Petr; Strazewski, Peter

    2009-01-01

    When the difference between changes in energy and entropy at a given temperature is correlated with the ratio between the same changes in energy and entropy at zero average free energy of an ensemble of similar but distinct molecule-sized objects, a highly significant linear dependence results from which a relationship between energy and entropy is derived and the degree of similarity between the distinctly different members within the group of objects can be quantified. This fundamental energy-entropy relationship is likely to be of general interest in physics, most notably in particle physics and cosmology. We predict a consistent and testable way of classifying mini black holes, to be generated in future Large Hadron Collider experiments, by their gravitational energy and area entropy. For any isolated universe we propose absolute temperature and absolute time to be equivalent, much in the same way as energy and entropy are for an isolated ensemble of similar objects. According to this principle, the cosmo...

  5. Crystallization of an achiral cyclohexanone ethylene ketal in enantiomorphs and determination of the absolute structure.

    Science.gov (United States)

    Graus, Sara; Tejedor, Rosa M; Uriel, Santiago; Serrano, José Luis; Alkorta, Ibon; Elguero, José

    2010-06-16

    The achiral 4-methoxy-4-(p-methoxyphenyl)-cyclohexanone ethylene ketal (1) resolves spontaneously. The crystal structure is solved in chiral spatial group P2(1). Because compound 1 is composed of only light atoms (C, H, O) it is not possible to determine its absolute structure configuration. An efficient procedure for the absolute structure configuration determination of flexible molecules containing only light atoms is proposed, based on the combination of X-ray diffraction, solid-state VCD, and DFT calculations.

  6. 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.

  7. A consistent flow of entropy

    CERN Document Server

    Ansari, Mohammad H

    2016-01-01

    A common approach to evaluate entropy in quantum systems is to solve a master-Bloch equation to determine density matrix and substitute it in entropy definition. However, this method has been recently understood to lack many energy correlators. The new correlators make entropy evaluation to be different from the substitution method described above. The reason for such complexity lies in the nonlinearity of entropy. In this paper we present a pedagogical approach to evaluate the new correlators and explain their contribution in the analysis. We show that the inherent nonlinearity in entropy makes the second law of thermodynamics to carry new terms associated to the new correlators. Our results show important new remarks on quantum black holes. Our formalism reveals that the notion of degeneracy of states at the event horizon makes an indispensable deviation from black hole entropy in the leading order.

  8. Entropy: From Thermodynamics to Hydrology

    OpenAIRE

    Demetris Koutsoyiannis

    2014-01-01

    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)...

  9. Entanglement Entropy of Black Holes

    Science.gov (United States)

    Solodukhin, Sergey N.

    2011-12-01

    The entanglement entropy is a fundamental quantity, which characterizes the correlations between sub-systems in a larger quantum-mechanical system. For two sub-systems separated by a surface the entanglement entropy is proportional to the area of the surface and depends on the UV cutoff, which regulates the short-distance correlations. The geometrical nature of entanglement-entropy calculation is particularly intriguing when applied to black holes when the entangling surface is the black-hole horizon. I review a variety of aspects of this calculation: the useful mathematical tools such as the geometry of spaces with conical singularities and the heat kernel method, the UV divergences in the entropy and their renormalization, the logarithmic terms in the entanglement entropy in four and six dimensions and their relation to the conformal anomalies. The focus in the review is on the systematic use of the conical singularity method. The relations to other known approaches such as ’t Hooft’s brick-wall model and the Euclidean path integral in the optical metric are discussed in detail. The puzzling behavior of the entanglement entropy due to fields, which non-minimally couple to gravity, is emphasized. The holographic description of the entanglement entropy of the blackhole horizon is illustrated on the two- and four-dimensional examples. Finally, I examine the possibility to interpret the Bekenstein-Hawking entropy entirely as the entanglement entropy.

  10. Entanglement Entropy of Black Holes

    Directory of Open Access Journals (Sweden)

    Sergey N. Solodukhin

    2011-10-01

    Full Text Available The entanglement entropy is a fundamental quantity, which characterizes the correlations between sub-systems in a larger quantum-mechanical system. For two sub-systems separated by a surface the entanglement entropy is proportional to the area of the surface and depends on the UV cutoff, which regulates the short-distance correlations. The geometrical nature of entanglement-entropy calculation is particularly intriguing when applied to black holes when the entangling surface is the black-hole horizon. I review a variety of aspects of this calculation: the useful mathematical tools such as the geometry of spaces with conical singularities and the heat kernel method, the UV divergences in the entropy and their renormalization, the logarithmic terms in the entanglement entropy in four and six dimensions and their relation to the conformal anomalies. The focus in the review is on the systematic use of the conical singularity method. The relations to other known approaches such as ’t Hooft’s brick-wall model and the Euclidean path integral in the optical metric are discussed in detail. The puzzling behavior of the entanglement entropy due to fields, which non-minimally couple to gravity, is emphasized. The holographic description of the entanglement entropy of the black-hole horizon is illustrated on the two- and four-dimensional examples. Finally, I examine the possibility to interpret the Bekenstein-Hawking entropy entirely as the entanglement entropy.

  11. Entropy of Causal Horizons

    CERN Document Server

    Howard, Eric M

    2016-01-01

    We analyze spacetimes with horizons and study the thermodynamic aspects of causal horizons, suggesting that the resemblance between gravitational and thermodynamic systems has a deeper quantum mechanical origin. We find that the observer dependence of such horizons is a direct consequence of associating a temperature and entropy to a spacetime. The geometrical picture of a horizon acting as a one-way membrane for information flow can be accepted as a natural interpretation of assigning a quantum field theory to a spacetime with boundary, ultimately leading to a close connection with thermodynamics.

  12. Blog life: Entropy Bound

    Science.gov (United States)

    Steinberg, Peter

    2008-06-01

    Who is the blog written by? Peter Steinberg is a nuclear physicist at the Brookhaven National Laboratory in New York, US. He is acting project manager of the PHOBOS experiment, which used Brookhaven's Relativistic Heavy Ion Collider (RHIC) to search for unusual events produced during collisions between gold nuclei. He is also involved with the PHENIX experiment, which seeks to discover a new state of matter known as the quark-gluon plasma. In addition to his own blog Entropy Bound, Steinberg is currently blogging on a website that was set up last year to publicize the involvement of US scientists with the Large Hadron Collider (LHC) at CERN.

  13. Minimum Error Entropy Classification

    CERN Document Server

    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.

  14. Sphere Renyi entropies

    CERN Document Server

    Dowker, J S

    2012-01-01

    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 Renyi entropies are computed. Massive fields are also considered and a renormalisation 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. For the round sphere, I show how to convert the quadrature form of the conformal Laplacian determinant into the more usual sum of Riemann zeta functions (and log2).

  15. RG flow of entanglement entropy to thermal entropy

    CERN Document Server

    Kim, Ki-Seok

    2016-01-01

    Utilizing the holographic technique, we investigate how the entanglement entropy evolves along the RG flow. After defining a new generalized entanglement temperature which satisfies the thermodynamics-like law even in the IR regime, we show that the renormalized entanglement entropy and temperature in the IR limit approach to the thermal entropy and temperature of a real thermal system. Intriguingly, the thermalization of the IR entanglement entropy generally happens regardless of the detail of a dual field theory. We check such a universality for a two-dimensional CFT, a Lifshitz field theory, and a non-conformal field theory. In addition, we also show that for a two-dimensional scale invariant theory the first quantum correction to the IR entanglement entropy leads to a logarithmic term caused by the remnant of the short distance quantum correlation near the entangling surface.

  16. 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.

  17. 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.

  18. Entropy and the uncertainty principle

    CERN Document Server

    Frank, Rupert L

    2011-01-01

    We generalize, improve and unify theorems of Rumin, and Maassen--Uffink about classical entropies associated to quantum density matrices. These theorems refer to the classical entropies of the diagonals of a density matrix in two different bases. Thus they provide a kind of uncertainty principle. Our inequalities are sharp because they are exact in the high-temperature or semi-classical limit.

  19. Entropy production by resonance decays

    CERN Document Server

    Ochs, S; Ochs, Stefan; Heinz, Ulrich

    1996-01-01

    We investigate entropy production for an expanding system of particles and resonances with isospin symmetry -- in our case pions and \\rho mesons -- within the framework of relativistic kinetic theory. A cascade code to simulate the kinetic equations is developed and results for entropy production and particle spectra are presented.

  20. The Dynamics of EEG Entropy

    CERN Document Server

    Ignaccolo, M; Jernajczyk, W; Grigolini, P; West, B J

    2009-01-01

    EEG time series are analyzed using the diffusion entropy method. The resulting EEG entropy manifests short-time scaling, asymptotic saturation and an attenuated alpha-rhythm modulation. These properties are faithfully modeled by a phenomenological Langevin equation interpreted within a neural network context.

  1. Black brane entropy and hydrodynamics

    NARCIS (Netherlands)

    I. Booth; M.P. Heller; M. Spaliński

    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

  2. Black brane entropy and hydrodynamics

    NARCIS (Netherlands)

    I. Booth; M.P. Heller; M Spalinski

    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

  3. Trajectory versus probability density entropy

    Science.gov (United States)

    Bologna, Mauro; Grigolini, Paolo; Karagiorgis, Markos; Rosa, Angelo

    2001-07-01

    We show that the widely accepted conviction that a connection can be established between the probability density entropy and the Kolmogorov-Sinai (KS) entropy is questionable. We adopt the definition of density entropy as a functional of a distribution density whose time evolution is determined by a transport equation, conceived as the only prescription to use for the calculation. Although the transport equation is built up for the purpose of affording a picture equivalent to that stemming from trajectory dynamics, no direct use of trajectory time evolution is allowed, once the transport equation is defined. With this definition in mind we prove that the detection of a time regime of increase of the density entropy with a rate identical to the KS entropy is possible only in a limited number of cases. The proposals made by some authors to establish a connection between the two entropies in general, violate our definition of density entropy and imply the concept of trajectory, which is foreign to that of density entropy.

  4. The Insights of Algorithmic Entropy

    Directory of Open Access Journals (Sweden)

    Sean Devine

    2009-03-01

    Full Text Available The algorithmic entropy of a system, the length of the shortest algorithm that specifies the system’s exact state adds some missing pieces to the entropy jigsaw. Because the approach embodies the traditional entropies as a special case, problematic issues such as the coarse graining framework of the Gibbs’ entropy manifest themselves in a different and more manageable form, appearing as the description of the system and the choice of the universal computing machine. The provisional algorithmic entropy combines the best information about the state of the system together with any underlying uncertainty; the latter represents the Shannon entropy. The algorithmic approach also specifies structure that the traditional entropies take as given. Furthermore, algorithmic entropy provides insights into how a system can maintain itself off equilibrium, leading to Ashby’s law of requisite variety. This review shows how the algorithmic approach can provide insights into real world systems, by outlining recent work on how replicating structures that generate order can evolve to maintain a system far from equilibrium.

  5. Conditional entropy of glueball states

    CERN Document Server

    Bernardini, Alex E; da Rocha, Roldao

    2016-01-01

    The conditional 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 conditional entropy is studied as a function of the glueball spin and of the mass, providing information about the stability of the glueball states.

  6. Entropy, Its Language, and Interpretation

    Science.gov (United States)

    Leff, Harvey S.

    2007-12-01

    The language of entropy is examined for consistency with its mathematics and physics, and for its efficacy as a guide to what entropy means. Do common descriptors such as disorder, missing information, and multiplicity help or hinder understanding? Can the language of entropy be helpful in cases where entropy is not well defined? We argue in favor of the descriptor spreading, which entails space, time, and energy in a fundamental way. This includes spreading of energy spatially during processes and temporal spreading over accessible microstates states in thermodynamic equilibrium. Various examples illustrate the value of the spreading metaphor. To provide further support for this metaphor’s utility, it is shown how a set of reasonable spreading properties can be used to derive the entropy function. A main conclusion is that it is appropriate to view entropy’s symbol S as shorthand for spreading.

  7. Colossal dielectric constant in high entropy oxides

    Energy Technology Data Exchange (ETDEWEB)

    Berardan, David; Franger, Sylvain; Dragoe, Diana; Meena, Arun Kumar; Dragoe, Nita [ICMMO (UMR 8182 CNRS), Universite Paris-Sud, Universite Paris-Saclay, 91405, Orsay (France)

    2016-04-15

    Entropic contributions to the stability of solids are very well understood and the mixing entropy has been used for forming various solids, for instance such as inverse spinels, see Nawrotsky et al., J. Inorg. Nucl. Chem. 29, 2701 (1967) [1]. A particular development was related to high entropy alloys by Yeh et al., Adv. Eng. Mater. 6, 299 (2004) [2] and Cantor et al., Mater. Sci. Eng. A 375-377, 213 (2004) [3] (for recent reviews see Zhang et al., Prog. Mater. Sci. 61, 1 (2014) [4] and Tsai et al., Mater. Res. Lett. 2, 107 (2014) [5]) in which the configurational disorder is responsible for forming simple solid solutions and which are thoroughly studied for various applications especially due to their mechanical properties, e.g. Gludovatz et al., Science 345, 1153 (2014) [6] and Lu et al., Sci. Rep. 4, 6200 (2014) [7], but also electrical properties, Kozelj et al., Phys. Rev. Lett. 113, 107001 (2014) [8], hydrogen storage, Kao et al., Int. J. Hydrogen Energy 35, 9046 (2010) [9], magnetic properties, Zhang et al., Sci. Rep. 3, 1455 (2013) [10]. Many unexplored compositions and properties still remain for this class of materials due to their large phase space. In a recent report it has been shown that the configurational disorder can be used for stabilizing simple solid solutions of oxides, which should normally not form solid solutions, see Rost et al., Nature Commun. 6, 8485 (2015) [11] these new materials were called ''entropy-stabilized oxides''. In this pioneering report, it was shown that mixing five equimolar binary oxides yielded, after heating at high temperature and quenching, an unexpected rock salt structure compound with statistical distribution of the cations in a face centered cubic lattice. Following this seminal study, we show here that these high entropy oxides (named HEOx hereafter) can be substituted by aliovalent elements with a charge compensation mechanism. This possibility largely increases the potential development of new

  8. Entropy and the Shelf Model: A Quantum Physical Approach to a Physical Property

    Science.gov (United States)

    Jungermann, Arnd H.

    2006-01-01

    In contrast to most other thermodynamic data, entropy values are not given in relation to a certain--more or less arbitrarily defined--zero level. They are listed in standard thermodynamic tables as absolute values of specific substances. Therefore these values describe a physical property of the listed substances. One of the main tasks of…

  9. Absolute transition probabilities of phosphorus.

    Science.gov (United States)

    Miller, M. H.; Roig, R. A.; Bengtson, R. D.

    1971-01-01

    Use of a gas-driven shock tube to measure the absolute strengths of 21 P I lines and 126 P II lines (from 3300 to 6900 A). Accuracy for prominent, isolated neutral and ionic lines is estimated to be 28 to 40% and 18 to 30%, respectively. The data and the corresponding theoretical predictions are examined for conformity with the sum rules.-

  10. Absolute luminosity measurements at LHCb

    CERN Document Server

    Hopchev, Plamen

    2011-01-01

    Absolute luminosity measurements are of general interest for colliding-beam experiments at storage rings. These measurements are necessary to determine the absolute cross-sections of reaction processes and are valuable to quantify the performance of the accelerator. LHCb has applied two methods to determine the absolute scale of its luminosity measurements for proton-proton collisions at the LHC running at a centre-of-mass energy of 7 TeV. In addition to the classic ``van der Meer'' scan method a novel technique has been developed which makes use of direct imaging of the individual beams using both proton-gas and proton-proton interactions. The beam imaging method is made possible by the high resolution of the LHCb vertex detector and the close proximity of the detector to the beams, and allows beam parameters such as positions, angles and widths to be determined. We describe both methods and compare the two results. In addition, we present the techniques used to transport the absolute luminosity measurement ...

  11. Tight Uniform Continuity Bounds for Quantum Entropies: Conditional Entropy, Relative Entropy Distance and Energy Constraints

    Science.gov (United States)

    Winter, Andreas

    2016-10-01

    We present a bouquet of continuity bounds for quantum entropies, falling broadly into two classes: first, a tight analysis of the Alicki-Fannes continuity bounds for the conditional von Neumann entropy, reaching almost the best possible form that depends only on the system dimension and the trace distance of the states. Almost the same proof can be used to derive similar continuity bounds for the relative entropy distance from a convex set of states or positive operators. As applications, we give new proofs, with tighter bounds, of the asymptotic continuity of the relative entropy of entanglement, E R , and its regularization {E_R^{∞}}, as well as of the entanglement of formation, E F . Using a novel "quantum coupling" of density operators, which may be of independent interest, we extend the latter to an asymptotic continuity bound for the regularized entanglement of formation, aka entanglement cost, {E_C=E_F^{∞}}. Second, we derive analogous continuity bounds for the von Neumann entropy and conditional entropy in infinite dimensional systems under an energy constraint, most importantly systems of multiple quantum harmonic oscillators. While without an energy bound the entropy is discontinuous, it is well-known to be continuous on states of bounded energy. However, a quantitative statement to that effect seems not to have been known. Here, under some regularity assumptions on the Hamiltonian, we find that, quite intuitively, the Gibbs entropy at the given energy roughly takes the role of the Hilbert space dimension in the finite-dimensional Fannes inequality.

  12. Numerical Investigation of the Entropy Crisis in Model Glass Formers

    OpenAIRE

    Brumer, Yisroel; Reichman, David R.

    2004-01-01

    We investigate numerically the low temperature equilibration of glassy systems via non-local Monte Carlo methods. We re-examine several systems that have been studied previously and investigate new systems in order to test the performance of such methods near the putative Kauzmann temperature, $T_K$, where the configurational entropy is presumed to vanish. Our results suggest that previous numerical claims in favor of and against a thermodynamic transition at a finite $T_K$ must be re-evaluat...

  13. 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.

  14. Zero Modes and Entanglement Entropy

    CERN Document Server

    Yazdi, Yasaman K

    2016-01-01

    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.

  15. Cumulative Paired φ-Entropy

    Directory of Open Access Journals (Sweden)

    Ingo Klein

    2016-07-01

    Full Text Available A new kind of entropy will be introduced which generalizes both the differential entropy and the cumulative (residual entropy. The generalization is twofold. First, we simultaneously define the entropy for cumulative distribution functions (cdfs and survivor functions (sfs, instead of defining it separately for densities, cdfs, or sfs. Secondly, we consider a general “entropy generating function” φ, the same way Burbea et al. (IEEE Trans. Inf. Theory 1982, 28, 489–495 and Liese et al. (Convex Statistical Distances; Teubner-Verlag, 1987 did in the context of φ-divergences. Combining the ideas of φ-entropy and cumulative entropy leads to the new “cumulative paired φ-entropy” ( C P E φ . This new entropy has already been discussed in at least four scientific disciplines, be it with certain modifications or simplifications. In the fuzzy set theory, for example, cumulative paired φ-entropies were defined for membership functions, whereas in uncertainty and reliability theories some variations of C P E φ were recently considered as measures of information. With a single exception, the discussions in the scientific disciplines appear to be held independently of each other. We consider C P E φ for continuous cdfs and show that C P E φ is rather a measure of dispersion than a measure of information. In the first place, this will be demonstrated by deriving an upper bound which is determined by the standard deviation and by solving the maximum entropy problem under the restriction of a fixed variance. Next, this paper specifically shows that C P E φ satisfies the axioms of a dispersion measure. The corresponding dispersion functional can easily be estimated by an L-estimator, containing all its known asymptotic properties. C P E φ is the basis for several related concepts like mutual φ-information, φ-correlation, and φ-regression, which generalize Gini correlation and Gini regression. In addition, linear rank tests for scale that

  16. Rindler Energy is Wald Entropy

    CERN Document Server

    Halyo, Edi

    2014-01-01

    We show that, in any theory of gravity, the entropy of any nonextreme black hole is given by $2 \\pi E_R$ where $E_R$ is the dimensionless Rindler energy. Separately, we show that $E_R$ is exactly Wald's Noether charge and therefore this entropy is identical to Wald entropy. However, it is off--shell and derived solely from the time evolution of the black hole. We examine Gauss--Bonnet black holes as an example and speculate on the degrees of freedom that $E_R$ counts.

  17. Relative Entropy and Torsion Coupling

    CERN Document Server

    Lin, Feng-Li

    2016-01-01

    We evaluate the relative entropy on a ball region near the UV fixed point of a holographic conformal field theory deformed by a fermionic operator of nonzero vacuum expectation value. The positivity of the relative entropy considered here is implied by the expected monotonicity of decrease of quantum entanglement under RG flow. The calculations are done in the perturbative framework of Einstein-Cartan gravity in four-dimensional asymptotically anti-de Sitter space with a postulated standard bilinear coupling between axial fermion current and torsion. Our results however imply that the positivity of the relative entropy disfavors such a coupling.

  18. Black Hole Entropy, Topological Entropy and Noncommutative Geometry

    OpenAIRE

    Zois, Ioannis P.

    2001-01-01

    Foliated manifolds are particular examples of noncommutative spaces. In this article we try to give a qualitative description of the Godbillon-Vey class and its relation on the one hand to the holonomy and on the other hand to the topological entropy of a foliation, using a remarkable theorem proved recently by G. Duminy relating these three notions in the case of codim-1 foliations. Moreover we shall investigate its possible relation with the black hole entropy adopting the superstring theor...

  19. On quantum Rényi entropies

    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...

  20. Holographic entropy increases in quadratic curvature gravity

    Science.gov (United States)

    Bhattacharjee, Srijit; Sarkar, Sudipta; Wall, Aron C.

    2015-09-01

    Standard methods for calculating the black hole entropy beyond general relativity are ambiguous when the horizon is nonstationary. We fix these ambiguities in all quadratic curvature gravity theories, by demanding that the entropy be increasing at every time, for linear perturbations to a stationary black hole. Our result matches with the entropy formula found previously in holographic entanglement entropy calculations. We explicitly calculate the entropy increase for Vaidya-like solutions in Ricci-tensor gravity to show that (unlike the Wald entropy) the holographic entropy obeys a second law.

  1. 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.

  2. Two aspects of black hole entropy in Lanczos-Lovelock models of gravity

    Science.gov (United States)

    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.

  3. Two Aspects of Black hole entropy in Lanczos-Lovelock models of gravity

    CERN Document Server

    Kolekar, Sanved; Padmanabhan, T

    2011-01-01

    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 m-th 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 ...

  4. Mechanical Properties of Refractory High Entropy Alloys Fabricated by Powder Processing

    Energy Technology Data Exchange (ETDEWEB)

    Kuk, Seoung Woo; Kim, Ki Hwan [Korea Atomic Energy Research Institute, Yuseong, Daejeon (Korea, Republic of); Lim, Woo Jin; Kang, Byung Chul; Hong, Soon Hyung; Ryu, Ho Jin [KAIST, Daejeon (Korea, Republic of)

    2015-10-15

    The effects of high configurational entropy, lattice distortion and sluggish diffusion are attributed to the distinguishable behavior of high entropy alloys. The structural applications of high entropy alloys are also promising in advanced nuclear energy systems for nuclear fission and fusion applications. Because of the randomly occupied lattice points by atoms with different atomic radius, lattice distortions and local atomic level strain were developed. The local lattice distortions influence the mechanical properties of high entropy alloys. The strengthening of high entropy alloys is attributed to the lattice distortions and local atomic level strain that increase the resistance to the dislocation motion. Some high entropy alloys exhibit remarkable irradiation resistance. Nagase et al. reported that the Conference alloy was irradiation resistant up to 40 dpa. Ega mi proposed that the irradiation defects can be self-healed because the recrystallization happens more easily in high entropy alloys. The mechanically alloyed and sintered samples have a much smaller grain size than that in cast high entropy alloys.

  5. Conceptualizing Embedded Configuration

    DEFF Research Database (Denmark)

    Oddsson, Gudmundur Valur; Hvam, Lars; Lysgaard, Ole

    2006-01-01

    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...... 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...

  6. Dynamic black-hole entropy

    OpenAIRE

    Hayward, Sean A.; Mukohyama, Shinji; Ashworth, M. C.

    1998-01-01

    We consider two non-statistical definitions of entropy for dynamic (non-stationary) black holes in spherical symmetry. The first is analogous to the original Clausius definition of thermodynamic entropy: there is a first law containing an energy-supply term which equals surface gravity times a total differential. The second is Wald's Noether-charge method, adapted to dynamic black holes by using the Kodama flow. Both definitions give the same answer for Einstein gravity: one-quarter the area ...

  7. Entropy of dynamical social networks

    OpenAIRE

    Kun Zhao; Márton Karsai; Ginestra Bianconi

    2012-01-01

    Human dynamical social networks encode information and are highly adaptive. To characterize the information encoded in the fast dynamics of social interactions, here we introduce the entropy of dynamical social networks. By analysing a large dataset of phone-call interactions we show evidence that the dynamical social network has an entropy that depends on the time of the day in a typical week-day. Moreover we show evidence for adaptability of human social behavior showing data on duration of...

  8. Entropy distance: New quantum phenomena

    OpenAIRE

    Weis, Stephan; Knauf, Andreas

    2012-01-01

    We study a curve of Gibbsian families of complex 3 × 3-matrices and point out new features, absent in commutative finite-dimensional algebras: a discontinuous maximum-entropy inference, a discontinuous entropy distance, and non-exposed faces of the mean value set. We analyze these problems from various aspects including convex geometry, topology, and information geometry. This research is motivated by a theory of infomax principles, where we contribute by computing first order optimality cond...

  9. Entropy bounds for uncollapsed matter

    Energy Technology Data Exchange (ETDEWEB)

    Abreu, Gabriel; Visser, Matt, E-mail: Gabriel.Abreu@msor.vuw.ac.nz, E-mail: Matt.Visser@msor.vuw.ac.nz [School of Mathematics, Statistics and Operation Research Victoria University of Wellington Wellington (New Zealand)

    2011-09-22

    In any static spacetime the quasilocal Tolman mass contained within a volume can be reduced to a Gauss-like surface integral involving the flux of a suitably defined generalized surface gravity. By introducing some basic thermodynamics, and invoking the Unruh effect, one can then develop elementary bounds on the quasilocal entropy that are very similar in spirit to the holographic bound, and closely related to entanglement entropy.

  10. Boundary effects in entanglement entropy

    Science.gov (United States)

    Berthiere, Clément; Solodukhin, Sergey N.

    2016-09-01

    We present a number of explicit calculations of Renyi and entanglement entropies in situations where the entangling surface intersects the boundary of d-dimensional Minkowski spacetime. When the boundary is a single plane we compute the contribution to the entropy due to this intersection, first in the case of the Neumann and Dirichlet boundary conditions, and then in the case of a generic Robin type boundary condition. The flow in the boundary coupling between the Neumann and Dirichlet phases is analyzed in arbitrary dimension d and is shown to be monotonic, the peculiarity of d = 3 case is noted. We argue that the translational symmetry along the entangling surface is broken due the presence of the boundary which reveals that the entanglement is not homogeneous. In order to characterize this quantitatively, we introduce a density of entanglement entropy and compute it explicitly. This quantity clearly indicates that the entanglement is maximal near the boundary. We then consider the situation where the boundary is composed of two parallel planes at a finite separation and compute the entanglement entropy as well as its density in this case. The complete contribution to entanglement entropy due to the boundaries is shown not to depend on the distance between the planes and is simply twice the entropy in the case of single plane boundary. Additionally, we find how the area law, the part in the entropy proportional to the area of entire entangling surface, depends on the size of the separation between the two boundaries. The latter is shown to appear in the UV finite part of the entropy.

  11. Entropy relaxation of ASDEX plasmas

    International Nuclear Information System (INIS)

    In tokamak discharges with improved ohmic confinement (IOC) in ASDEX a transition is observed from flat density profiles towards more peaked ones, while the normalized temperature profile is preserved. For this behaviour of the radial profiles it is shown that the entropy of the plasma increases during the IOC phase. Hence IOC and entropy relaxation are closely related. If the IOC phase is long enough, one finds stationary plasma states, which are compared with the relaxed state described in theory. (orig.)

  12. On the Smoothed Minimum Error Entropy Criterion

    OpenAIRE

    Badong Chen; Principe, Jose C.

    2012-01-01

    Recent studies suggest that the minimum error entropy (MEE) criterion can outperform the traditional mean square error criterion in supervised machine learning, especially in nonlinear and non-Gaussian situations. In practice, however, one has to estimate the error entropy from the samples since in general the analytical evaluation of error entropy is not possible. By the Parzen windowing approach, the estimated error entropy converges asymptotically to the entropy of the error plus an indepe...

  13. Stereo Selective Synthesis and Absolute Configuration Determination of (2E,4S)-4-(t-butoxycarbonylamino)-5-[ (3S)-2'-oxo-3'-pyrrolidinyl]-2-pentenoic Acid Ethyl Ester%(2E,4S)-4-叔丁氧羰基氨基-5-[(3S)-2'-氧代-3'-吡咯烷基]-2-戊烯酸乙酯的立体选择性合成及绝对构型

    Institute of Scientific and Technical Information of China (English)

    张永坡; 张洋; 孙怀林

    2014-01-01

    (2E,4S)-4-(t-Butoxycarbonylamino)-5-[(3S)-2’-oxo-3’-pyrrolidinyl]-2-pentenoic acid ethyl ester(1) is a key intermediate widely used in drug candidate synthesis, such as the human rhinovious 3C pro-tease inhibitor AG7088 and its related substances which are currently being developed for treatment of common cold, severe acute respiratory syndromes( SARS) and hand, foot, mouth disease( HFMD) . Based on existing synthetic routes using L-glutamic acid as starting material, the optical purities of each intermediate product was rigorously examined, and the effects of reaction conditions on the optical purities of the products were studied in details. Meanwhile, racemic samples of each product were prepared from D, L-glutamic acids using the same procedures and used for comparison in high performance liquid chromatography( HPLC) analyses. Thus, new factors that could influence the optical purities of the final products were discovered, and methods for sol-ving the problems were provided. The molecular structure of intermediate product (2S)-2-( t-butoxycarbonyl-amino)-3-[(3S)-2’-oxo-3’-pyrrolidinyl]propanol(5) was determined by the X-ray diffraction method, which provides direct evidence for the absolute configuration of these products.%在(2E,4S)-4-叔丁氧羰基氨基-5-[(3S)-2'-氧代-3'-吡咯烷基]-2-戊烯酸乙酯(1)已有立体选择性合成路线的基础上,对各步产物的光学纯度进行了严格的检验,研究了反应条件对这些产物光学纯度的影响,并利用单晶X射线衍射方法确定了该类化合物的绝对构型。

  14. Evolutionary algorithm based configuration interaction approach

    CERN Document Server

    Chakraborty, Rahul

    2016-01-01

    A stochastic configuration interaction method based on evolutionary algorithm is designed as an affordable approximation to full configuration interaction (FCI). The algorithm comprises of initiation, propagation and termination steps, where the propagation step is performed with cloning, mutation and cross-over, taking inspiration from genetic algorithm. We have tested its accuracy in 1D Hubbard problem and a molecular system (symmetric bond breaking of water molecule). We have tested two different fitness functions based on energy of the determinants and the CI coefficients of determinants. We find that the absolute value of CI coefficients is a more suitable fitness function when combined with a fixed selection scheme.

  15. Android Apps for Absolute Beginners

    CERN Document Server

    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

  16. On the existence, uniqueness and stability of entropy solutions to scalar conservation laws

    Science.gov (United States)

    Golovaty, Dmitry; Nguyen, Truyen

    We consider one-dimensional scalar conservation laws with and without viscosity where the flux function F(x,t,u) is only assumed to be absolutely continuous in x, locally integrable in t and continuous in u. The existence and uniqueness of entropy solutions for the associated initial-value problem are obtained through the vanishing viscosity method and the doubling variables technique. We also prove the stability of entropy solutions in C([0,T];Lloc1(R)) and in C([0,T];L1(R)) with respect to both initial data and flux functions.

  17. Numerical Stability of Generalized Entropies

    CERN Document Server

    Steinbrecher, György

    2016-01-01

    In many applications, the probability density function is subject to experimental errors. In this work the continuos dependence of a class of generalized entropies on the experimental errors is studied. This class includes the C. Shannon, C. Tsallis, A. R\\'enyi and generalized R\\'enyi entropies. By using the connection between R\\'enyi or Tsallis entropies, and the "distance" in a family of metric functional spaces, family that includes the Lebesgue normed vector spaces, we introduce a further extensive generalizations of the R\\'enyi entropy. In this work we suppose that the experimental error is measured by some $L^{p}$ norm. In line with the methodology normally used for treating the so called "ill-posed problems", auxiliary stabilizing conditions are determined, such that small - in the sense of $L^{p}$ metric - experimental errors provoke small variations of the classical and generalized entropies. These stabilizing conditions are formulated in terms of $L^{p}$ metric in a class of generalized $L^{p}$ spac...

  18. A unix configuration engine

    International Nuclear Information System (INIS)

    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

  19. Information Entropy Production of Spatio-Temporal Maximum Entropy Distributions

    CERN Document Server

    Cofre, Rodrigo

    2015-01-01

    Spiking activity from populations of neurons display causal interactions and memory effects. Therefore, they are expected to show some degree of irreversibility in time. Motivated by the spike train statistics, in this paper we build a framework to quantify the degree of irreversibility of any maximum entropy distribution. Our approach is based on the transfer matrix technique, which enables us to find an homogeneous irreducible Markov chain that shares the same maximum entropy measure. We provide relevant examples in the context of spike train statistics

  20. Kaleidoscopical configurations in groups

    Directory of Open Access Journals (Sweden)

    I. V. Protasov

    2011-11-01

    Full Text Available A subset A of a group G is called a kaleidoscopical configuration if there exists a surjective coloring χ:X→κ such that the restriction χ|gA is a bijection for each g∈G . We give two topological constructions of kaleidoscopical configurations and show that each infinite subset of an Abelian group contains an infinite kaleidoscopical configuration.

  1. Cosmology with Negative Absolute Temperatures

    CERN Document Server

    Vieira, J P P; Lewis, Antony

    2016-01-01

    Negative absolute temperatures (NAT) are an exotic thermodynamical consequence of quantum physics which has been known since the 1950's (having been achieved in the lab on a number of occasions). Recently, the work of Braun et al (2013) has rekindled interest in negative temperatures and hinted at a possibility of using NAT systems in the lab as dark energy analogues. This paper goes one step further, looking into the cosmological consequences of the existence of a NAT component in the Universe. NAT-dominated expanding Universes experience a borderline phantom expansion ($w<-1$) with no Big Rip, and their contracting counterparts are forced to bounce after the energy density becomes sufficiently large. Both scenarios might be used to solve horizon and flatness problems analogously to standard inflation and bouncing cosmologies. We discuss the difficulties in obtaining and ending a NAT-dominated epoch, and possible ways of obtaining density perturbations with an acceptable spectrum.

  2. Cosmology with negative absolute temperatures

    Science.gov (United States)

    Vieira, J. P. P.; Byrnes, Christian T.; Lewis, Antony

    2016-08-01

    Negative absolute temperatures (NAT) are an exotic thermodynamical consequence of quantum physics which has been known since the 1950's (having been achieved in the lab on a number of occasions). Recently, the work of Braun et al. [1] has rekindled interest in negative temperatures and hinted at a possibility of using NAT systems in the lab as dark energy analogues. This paper goes one step further, looking into the cosmological consequences of the existence of a NAT component in the Universe. NAT-dominated expanding Universes experience a borderline phantom expansion (w inflation and bouncing cosmologies. We discuss the difficulties in obtaining and ending a NAT-dominated epoch, and possible ways of obtaining density perturbations with an acceptable spectrum.

  3. Entanglement Entropy for Singular Surfaces

    CERN Document Server

    Myers, Robert C

    2012-01-01

    We study entanglement entropy for regions with a singular boundary in higher dimensions using the AdS/CFT correspondence and find that various singularities make new universal contributions. When the boundary CFT has an even spacetime dimension, we find that the entanglement entropy of a conical surface contains a term quadratic in the logarithm of the UV cut-off. In four dimensions, the coefficient of this contribution is proportional to the central charge 'c'. A conical singularity in an odd number of spacetime dimensions contributes a term proportional to the logarithm of the UV cut-off. We also study the entanglement entropy for various boundary surfaces with extended singularities. In these cases, similar universal terms may appear depending on the dimension and curvature of the singular locus.

  4. Boundary effects in entanglement entropy

    CERN Document Server

    Berthiere, Clement

    2016-01-01

    We present a number of explicit calculations of Renyi and entanglement entropies in situations where the entangling surface intersects the boundary in $d$-dimensional Minkowski spacetime. When the boundary is a single plane we compute the contribution to the entropy due to this intersection, first in the case of the Neumann and Dirichlet boundary conditions, and then in the case of a generic Robin type boundary condition. The flow in the boundary coupling between the Neumann and Dirichlet phases is analyzed in arbitrary dimension $d$ and is shown to be monotonic, the peculiarity of $d=3$ case is noted. We argue that the translational symmetry along the entangling surface is broken due the presence of the boundary which reveals that the entanglement is not homogeneous. In order to characterize this quantitatively, we introduce a density of entanglement entropy and compute it explicitly. This quantity clearly indicates that the entanglement is maximal near the boundary. We then consider the situation where the ...

  5. Quantum geometry and gravitational entropy

    Energy Technology Data Exchange (ETDEWEB)

    Simon, Joan; Balasubramanian, Vijay; Czech, Bart Iomiej; Larjo, Klaus; Marolf, Donald; Simon, Joan

    2007-05-29

    Most quantum states have wavefunctions that are widely spread over the accessible Hilbert space and hence do not have a good description in terms of a single classical geometry. In order to understand when geometric descriptions are possible, we exploit the AdS/CFT correspondence in the half-BPS sector of asymptotically AdS_5 x S5 universes. In this sector we devise a"coarse-grained metric operator" whose eigenstates are well described by a single spacetime topology and geometry. We show that such half-BPS universes have a non-vanishing entropy if and only if the metric is singular, and that the entropy arises from coarse-graining the geometry. Finally, we use our entropy formula to find the most entropic spacetimes with fixed asymptotic moments beyond the global charges.

  6. A student's guide to entropy

    CERN Document Server

    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.

  7. A Simplified Confinement Method (SCM) for Calculating Absolute Free Energies and Free Energy and Entropy Differences

    OpenAIRE

    Ovchinnikov, Victor; Cecchini, Marco; Karplus, Martin

    2013-01-01

    A simple and robust formulation of the path-independent confinement method for the calculation of free energies is presented. The simplified confinement method (SCM) does not require matrix diagonalization or switching off the molecular force field, and has a simple convergence criterion. The method can be readily implemented in molecular dynamics programs with minimal or no code modifications. Because the confinement method is a special case of thermodynamic integration, it is trivially para...

  8. Entropy and Size in HIC

    CERN Document Server

    Barrañon, A; Roa, J E

    2005-01-01

    Distinct entropy definitions have been used to obtain an inverse correlation between the residual size and entropy for Heavy Ion Collisions. This explains the existence of several temperatures for different residual size bins, as reported elsewhere (Natowitz et. al., 2002). HIC collisions were simulated using binary interaction LATINO model where Pandharipande potential replicates internucleonic interaction. System temperature is defined as the temperature obtained when Kinetic Gas Theory is applied to the nucleons in the participant region. Fragments are detected with an Early Cluster Recognition Algorithm that optimizes the partitions in energy space.

  9. Entanglement entropy of scattering particles

    Science.gov (United States)

    Peschanski, Robi; Seki, Shigenori

    2016-07-01

    We study the entanglement entropy between the two outgoing particles in an elastic scattering process. It is formulated within an S-matrix formalism using the partial wave expansion of two-body states, which plays a significant role in our computation. As a result, we obtain a novel formula that expresses the entanglement entropy in a high energy scattering by the use of physical observables, namely the elastic and total cross sections and a physical bound on the impact parameter range, related to the elastic differential cross-section.

  10. Entanglement entropy of round spheres

    Energy Technology Data Exchange (ETDEWEB)

    Solodukhin, Sergey N., E-mail: Sergey.Solodukhin@lmpt.univ-tours.f [Laboratoire de Mathematiques et Physique Theorique, Universite Francois-Rabelais Tours Federation Denis Poisson - CNRS, Parc de Grandmont, 37200 Tours (France)

    2010-10-18

    We propose that the logarithmic term in the entanglement entropy computed in a conformal field theory for a (d-2)-dimensional round sphere in Minkowski spacetime is identical to the logarithmic term in the entanglement entropy of extreme black hole. The near horizon geometry of the latter is H{sub 2}xS{sub d-2}. For a scalar field this proposal is checked by direct calculation. We comment on relation of this and earlier calculations to the 'brick wall' model of 't Hooft. The case of generic 4d conformal field theory is discussed.

  11. Entropy power inequalities for qudits

    Science.gov (United States)

    Audenaert, Koenraad; Datta, Nilanjana; Ozols, Maris

    2016-05-01

    Shannon's entropy power inequality (EPI) can be viewed as a statement of concavity of an entropic function of a continuous random variable under a scaled addition rule: f ( √{ a } X + √{ 1 - a } Y ) ≥ a f ( X ) + ( 1 - a ) f ( Y ) ∀ a ∈ [ 0 , 1 ] . Here, X and Y are continuous random variables and the function f is either the differential entropy or the entropy power. König and Smith [IEEE Trans. Inf. Theory 60(3), 1536-1548 (2014)] and De Palma, Mari, and Giovannetti [Nat. Photonics 8(12), 958-964 (2014)] obtained quantum analogues of these inequalities for continuous-variable quantum systems, where X and Y are replaced by bosonic fields and the addition rule is the action of a beam splitter with transmissivity a on those fields. In this paper, we similarly establish a class of EPI analogues for d-level quantum systems (i.e., qudits). The underlying addition rule for which these inequalities hold is given by a quantum channel that depends on the parameter a ∈ [0, 1] and acts like a finite-dimensional analogue of a beam splitter with transmissivity a, converting a two-qudit product state into a single qudit state. We refer to this channel as a partial swap channel because of the particular way its output interpolates between the states of the two qudits in the input as a is changed from zero to one. We obtain analogues of Shannon's EPI, not only for the von Neumann entropy and the entropy power for the output of such channels, but also for a much larger class of functions. This class includes the Rényi entropies and the subentropy. We also prove a qudit analogue of the entropy photon number inequality (EPnI). Finally, for the subclass of partial swap channels for which one of the qudit states in the input is fixed, our EPIs and EPnI yield lower bounds on the minimum output entropy and upper bounds on the Holevo capacity.

  12. Linear entropy as an entanglement measure in two-fermion systems

    CERN Document Server

    Buscemi, F; Bordone, P; Bertoni, Andrea; Bordone, Paolo; Buscemi, Fabrizio

    2006-01-01

    We describe an efficient theoretical criterion, suitable for indistinguishable particles to quantify the quantum correlations of any pure two-fermion state, based on the Slater rank concept. It represents the natural generalization of the linear entropy used to treat quantum entanglement in systems of non-identical particles. Such a criterion is here applied to an electron-electron scattering in a two-dimensional system in order to perform a quantitative evaluation of the entanglement dynamics for various spin configurations and to compare the linear entropy with alternative approaches. Our numerical results show the dependence of the entanglement evolution upon the initial state of the system and its spin components. The differences with previous analyses accomplished by using the von Neumann entropy are discussed. The evaluation of the entanglement dynamics in terms of the linear entropy results to be much less demanding from the computational point of view, not requiring the diagonalization of the density ...

  13. Unraveling the success and failure of mode coupling theory from consideration of entropy

    Science.gov (United States)

    Nandi, Manoj Kumar; Banerjee, Atreyee; Sengupta, Shiladitya; Sastry, Srikanth; Bhattacharyya, Sarika Maitra

    2015-11-01

    We analyze the dynamics of model supercooled liquids in a temperature regime where predictions of mode coupling theory (MCT) are known to be valid qualitatively. In this regime, the Adam-Gibbs (AG) relation, based on an activation picture of dynamics, also describes the dynamics satisfactorily, and we explore the mutual consistency and interrelation of these descriptions. Although entropy and dynamics are related via phenomenological theories, the connection between MCT and entropy has not been argued for. In this work, we explore this connection and provide a microscopic derivation of the phenomenological Rosenfeld theory. At low temperatures, the overlap between the MCT power law regime and AG relation implies that the AG relation predicts an avoided divergence at Tc, the origin of which can be related to the vanishing of pair configurational entropy, which we find occurring at the same temperature. We also show that the residual multiparticle entropy plays an important role in describing the relaxation time.

  14. Entanglement entropy for non-coplanar regions in quantum field theory

    International Nuclear Information System (INIS)

    We study the entanglement entropy in a relativistic quantum field theory for regions which are not included in a single spatial hyperplane. This geometric configuration cannot be treated with the Euclidean time method and the replica trick. Instead, we use a real time method to calculate the entropy for a massive free Dirac field in two dimensions in some approximations. We find some specifically relativistic features of the entropy. First, there is a large enhancement of entanglement due to boosts. As a result, the mutual information between relatively boosted regions does not vanish in the limit of zero volume and large relative boost. We also find extensivity of the information in a deeply Lorentzian regime with large violations of the triangle inequalities for the distances. This last effect is relevant to an interpretation of the amount of entropy enclosed in the Hawking radiation emitted by a black hole.

  15. Maximum-Entropy Inference with a Programmable Annealer

    CERN Document Server

    Chancellor, Nicholas; Vinci, Walter; Aeppli, Gabriel; Warburton, Paul A

    2015-01-01

    Optimisation problems in science and engineering 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 approach maximises the likelihood that the solution found is correct. An alternative approach is to make use of prior statistical information about the noise in conjunction with Bayes's theorem. The maximum entropy solution to the problem then takes the form of a Boltzmann distribution over the ground and excited states of the cost function. Here we use a programmable Josephson junction array for the information decoding problem which we simulate as a random Ising model in a field. We show experimentally that maximum entropy decoding at finite temperature can in certain cases give competitive and even slightly better bit-error-rates than the maximum likelihood approach at zero temperature, confirming that useful information can be extracted from the excited states of the annealing...

  16. HLT configuration management system

    CERN Document Server

    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...

  17. Duality of Maximum Entropy and Minimum Divergence

    Directory of Open Access Journals (Sweden)

    Shinto Eguchi

    2014-06-01

    Full Text Available We discuss a special class of generalized divergence measures by the use of generator functions. Any divergence measure in the class is separated into the difference between cross and diagonal entropy. The diagonal entropy measure in the class associates with a model of maximum entropy distributions; the divergence measure leads to statistical estimation via minimization, for arbitrarily giving a statistical model. The dualistic relationship between the maximum entropy model and the minimum divergence estimation is explored in the framework of information geometry. The model of maximum entropy distributions is characterized to be totally geodesic with respect to the linear connection associated with the divergence. A natural extension for the classical theory for the maximum likelihood method under the maximum entropy model in terms of the Boltzmann-Gibbs-Shannon entropy is given. We discuss the duality in detail for Tsallis entropy as a typical example.

  18. Holographic entanglement entropy and the extended phase structure of STU black holes

    CERN Document Server

    Caceres, Elena; Pedraza, Juan F

    2015-01-01

    We study the extended thermodynamics, obtained by considering the cosmological constant as a thermodynamic variable, of STU black holes in 4-dimensions in the fixed charge ensemble. The associated phase structure is conjectured to be dual to an RG-flow on the space of field theories. We find that for some charge configurations the phase structure resembles that of a Van der Waals gas: the system exhibits a family of first order phase transitions ending in a second order phase transition at a critical temperature. We calculate the holographic entanglement entropy for several charge configurations and show that for the cases where the gravity background exhibits Van der Waals behavior, the entanglement entropy presents a transition at the same critical temperature. To further characterize the phase transition we calculate appropiate critical exponents show that they coincide. Thus, the holographic entanglement entropy successfully captures the information of the extended phase structure. Finally, we discuss the...

  19. Numerical Study of Entropy Generation Within Thermoacoustic Heat Exchangers with Plane Fins

    Directory of Open Access Journals (Sweden)

    Antonio Piccolo

    2015-12-01

    Full Text Available In this paper a simplified two-dimensional computational model for studying the entropy generation characteristics of thermoacoustic heat exchangers with plane fins is presented. The model integrates the equations of the standard linear thermoacoustic theory into an energy balance-based numerical calculus scheme. Relevant computation results are the spatial distribution of the time-averaged temperature, heat fluxes and entropy generation rates within a channel of a parallel-plate stack and adjoining heat exchangers. For a thermoacoustic device working in the refrigeration mode, this study evidences as a target refrigeration output level can be achieved selecting simultaneously the heat exchangers fin length and fin interspacing for minimum entropy generation and that the resulting configuration is a point of maximum coefficient of performance. The proposed methodology, when extended to other configurations, could be used as a viable design tool for heat exchangers in thermoacoustic applications.

  20. System Design of the ATLAS Absolute Luminosity Monitor

    CERN Document Server

    Anghinolfi, Francis; Franz, Sebastien; Iwanski, W; Lundberg, B; PH-EP

    2007-01-01

    The ATLAS absolute luminosity monitor is composed of 8 roman pots symmetrically located in the LHC tunnel. Each pot contains 23 multi anode photomultiplier tubes, and each one of those is fitted with a front-end assembly called PMF. A PMF provides the high voltage biasing of the tube, the frontend readout chip and the readout logic in a very compact arrangement. The 25 PMFs contained in one roman pot are connected to a motherboard used as an interface to the backend electronics. The system allows to configure the front-end electronics from the ATLAS detector control system and to transmit the luminosity data over Slink.

  1. Absolute Measurement of Quantum-Limited Interferometric Displacements

    CERN Document Server

    Thiel, Valérian; Treps, Nicolas; Roslund, Jonathan

    2016-01-01

    A methodology is introduced that enables an absolute, quantum-limited measurement of sub-wavelength interferometric displacements. The technique utilizes a high-frequency optical path modulation within an interferometer operated in a homodyne configuration. All of the information necessary to fully characterize the resultant path displacement is contained within the relative strengths of the various harmonics of the phase modulation. The method, which is straightforward and readily implementable, allows a direct measurement of the theoretical Cram\\'er-Rao limit of detection without any assumptions on the nature of the light source.

  2. The Hosoya Entropy of a Graph

    Directory of Open Access Journals (Sweden)

    Abbe Mowshowitz

    2015-03-01

    Full Text Available This paper demonstrates properties of Hosoya entropy, a quantitative measure of graph complexity based on a decomposition of the vertices linked to partial Hosoya polynomials. Connections between the information content of a graph and Hosoya entropy are established, and the special case of Hosoya entropy of trees is investigated.

  3. 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.

  4. Remainder terms for some quantum entropy inequalities

    Energy Technology Data Exchange (ETDEWEB)

    Carlen, Eric A.; Lieb, Elliott H. [Department of Mathematics, Hill Center, Rutgers University, 110 Frelinghuysen Road, Piscataway, New Jersey 08854-8019 (United States); Departments of Mathematics and Physics, Jadwin Hall, Princeton University, Washington Road, Princeton, New Jersey 08544-0001 (United States)

    2014-04-15

    We consider three von Neumann entropy inequalities: subadditivity; Pinsker's inequality for relative entropy; and the monotonicity of relative entropy. For these we state conditions for equality, and we prove some new error bounds away from equality, including an improved version of Pinsker's inequality.

  5. The Entropy of Morbidity Trauma and Mortality

    CERN Document Server

    Neal-Sturgess, Clive

    2010-01-01

    In this paper it is shown that statistical mechanics in the form of thermodynamic entropy can be used as a measure of the severity of individual injuries (AIS), and that the correct way to account for multiple injuries is to sum the entropies. It is further shown that summing entropies according to the Planck-Boltzmann (P-B) definition of entropy is formally the same as ISS, which is why ISS works. Approximate values of the probabilities of fatality are used to calculate the Gibb's entropy, which is more accurate than the P-B entropy far from equilibrium, and are shown to be again proportional to ISS. For the categorisation of injury using entropies it is necessary to consider the underlying entropy of the individuals morbidity to which is added the entropy of trauma, which then may result in death. Adding in the underlying entropy and summing entropies of all AIS3+ values gives a more extended scale than ISS, and so entropy is considered the preferred measure. A small scale trial is conducted of these concep...

  6. Algebraic entropy for differential-delay equations

    OpenAIRE

    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.

  7. Uncertainty relations and the Wehrl entropy

    Energy Technology Data Exchange (ETDEWEB)

    Ranade, Kedar S.; Schleich, Wolfgang P. [Institut fuer Quantenphysik, Universitaet Ulm (Germany)

    2012-07-01

    In 1979, A. Wehrl introduced the concept of classical entropies of a quantum state and demonstrated several properties of these entropies. In this talk, we investigate generalisations of the Wehrl entropy with respect to quantum-mechanical uncertainty relations for systems with continuous variables. In important cases, the relevant quantities can be measured with standard techniques from quantum optics.

  8. Entanglement entropy for odd spheres

    CERN Document Server

    Dowker, J S

    2010-01-01

    It is shown, non--rigorously, that the effective action on a Z_q factored odd spheres (lune) has a vanishing derivative at q=1. This leaves the effective action on the ordinary odd d-sphere as (minus) the value of the entanglement entropy associated with a (d-2)-sphere. Some numbers are given.

  9. Entropy of Quantum Black Holes

    Directory of Open Access Journals (Sweden)

    Romesh K. Kaul

    2012-02-01

    Full Text Available In the Loop Quantum Gravity, black holes (or even more general Isolated Horizons are described by a SU(2 Chern-Simons theory. There is an equivalent formulation of the horizon degrees of freedom in terms of a U(1 gauge theory which is just a gauged fixed version of the SU(2 theory. These developments will be surveyed here. Quantum theory based on either formulation can be used to count the horizon micro-states associated with quantum geometry fluctuations and from this the micro-canonical entropy can be obtained. We shall review the computation in SU(2 formulation. Leading term in the entropy is proportional to horizon area with a coefficient depending on the Barbero-Immirzi parameter which is fixed by matching this result with the Bekenstein-Hawking formula. Remarkably there are corrections beyond the area term, the leading one is logarithm of the horizon area with a definite coefficient −3/2, a result which is more than a decade old now. How the same results are obtained in the equivalent U(1 framework will also be indicated. Over years, this entropy formula has also been arrived at from a variety of other perspectives. In particular, entropy of BTZ black holes in three dimensional gravity exhibits the same logarithmic correction. Even in the String Theory, many black hole models are known to possess such properties. This suggests a possible universal nature of this logarithmic correction.

  10. Measurement of the absolute speed is possible?

    OpenAIRE

    Sergey V. Shevchenko; Tokarevsky, Vladimir V.

    2016-01-01

    One of popular problems, which  are experimentally studied in physics in a long time, is the testing of the special relativity theory, first of all – measurements of isotropy and constancy of light speed; as well as attempts to determine so called “absolute speed”, i.e. the Earth speed in the absolute spacetime (absolute reference frame), if this spacetime (ARF) exists.  Corresponding experiments aimed at the measuring of proper speed of some reference frame in oth...

  11. Beyond Gibbs-Boltzmann-Shannon: General Entropies -- The Gibbs-Lorentzian Example

    Science.gov (United States)

    Treumann, Rudolf; Baumjohann, Wolfgang

    2014-08-01

    We propose a generalisation of Gibbs' statistical mechanics into the domain of non-negligible phase space correlations. Derived are the probability distribution and entropy as a generalised ensemble average, replacing Gibbs-Boltzmann-Shannon's entropy definition enabling construction of new forms of statistical mechanics. The general entropy may also be of importance in information theory and data analysis. Application to generalised Lorentzian phase space elements yields the Gibbs-Lorentzian power law probability distribution and statistical mechanics. The corresponding Boltzmann, Fermi and Bose-Einstein distributions are found. They apply only to finite temperature states including correlations. As a by-product any negative absolute temperatures are categorically excluded, supporting a recent ``no-negative T" claim.

  12. Software configuration management

    CERN Document Server

    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.

  13. Airport Configuration Prediction Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Airport configuration is a primary factor in various airport characteristics such as arrival and departure capacities and terminal area traffic patterns. These...

  14. Ansible configuration management

    CERN Document Server

    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.

  15. Generalized gravitational entropy from total derivative action

    Science.gov (United States)

    Dong, Xi; Miao, Rong-Xin

    2015-12-01

    We investigate the generalized gravitational entropy from total derivative terms in the gravitational action. Following the method of Lewkowycz and Maldacena, we find that the generalized gravitational entropy from total derivatives vanishes. We compare our results with the work of Astaneh, Patrushev, and Solodukhin. We find that if total derivatives produced nonzero entropy, the holographic and the field-theoretic universal terms of entanglement entropy would not match. Furthermore, the second law of thermodynamics could be violated if the entropy of total derivatives did not vanish.

  16. Entropy-Corrected Holographic Dark Energy

    CERN Document Server

    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 quantum gravity or other reason. With the modified entropy-area relation, we propose the so-called "entropy-corrected holographic dark energy" (ECHDE) in this note. We consider many aspects of ECHDE and find some interesting results. In addition, we also consider the so-called "entropy-corrected agegraphic dark energy" (ECADE) briefly.

  17. Entropy-Corrected Holographic Dark Energy

    International Nuclear Information System (INIS)

    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)

  18. Entropy-Corrected Holographic Dark Energy

    Science.gov (United States)

    Wei, Hao

    2009-10-01

    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).

  19. Generalized Gravitational Entropy from Total Derivative Action

    CERN Document Server

    Dong, Xi

    2015-01-01

    We investigate the generalized gravitational entropy from total derivative terms in the gravitational action. Following the method of Lewkowycz and Maldacena, we find that the generalized gravitational entropy from total derivatives vanishes. We compare our results with the work of Astaneh, Patrushev, and Solodukhin. We find that if total derivatives produced nonzero entropy, the holographic and the field-theoretic universal terms of entanglement entropy would not match. Furthermore, the second law of thermodynamics could be violated if the entropy of total derivatives did not vanish.

  20. Towards information inequalities for generalized graph entropies.

    Directory of Open Access Journals (Sweden)

    Lavanya Sivakumar

    Full Text Available In this article, we discuss the problem of establishing relations between information measures for network structures. Two types of entropy based measures namely, the Shannon entropy and its generalization, the Rényi entropy have been considered for this study. Our main results involve establishing formal relationships, by means of inequalities, between these two kinds of measures. Further, we also state and prove inequalities connecting the classical partition-based graph entropies and partition-independent entropy measures. In addition, several explicit inequalities are derived for special classes of graphs.

  1. 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.

  2. Enthalpy-entropy compensation in protein unfolding

    Institute of Scientific and Technical Information of China (English)

    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.

  3. Negative temperatures and the definition of entropy

    Science.gov (United States)

    Swendsen, Robert H.; Wang, Jian-Sheng

    2016-07-01

    The concept of negative temperature has recently received renewed interest in the context of debates about the correct definition of the thermodynamic entropy in statistical mechanics. Several researchers have identified the thermodynamic entropy exclusively with the "volume entropy" suggested by Gibbs, and have further concluded that by this definition, negative temperatures violate the principles of thermodynamics. We disagree with these conclusions. We demonstrate that volume entropy is inconsistent with the postulates of thermodynamics for systems with non-monotonic energy densities, while a definition of entropy based on the probability distributions of macroscopic variables does satisfy the postulates of thermodynamics. Our results confirm that negative temperature is a valid extension of thermodynamics.

  4. A violation of the covariant entropy bound?

    CERN Document Server

    Masoumi, Ali

    2014-01-01

    Several arguments suggest that the entropy density at high energy density $\\rho$ should be given by the expression $s=K\\sqrt{\\rho/G}$, where $K$ is a constant of order unity. On the other hand the covariant entropy bound requires that the entropy on a light sheet be bounded by $A/4G$, where $A$ is the area of the boundary of the sheet. We find that in a suitably chosen cosmological geometry, the above expression for $s$ violates the covariant entropy bound. We consider different possible explanations for this fact; in particular the possibility that entropy bounds should be defined in terms of volumes of regions rather than areas of surfaces.

  5. Role of Structure and Entropy in Determining Differences in Dynamics for Glass Formers with Different Interaction Potentials

    Science.gov (United States)

    Banerjee, Atreyee; Sengupta, Shiladitya; Sastry, Srikanth; Bhattacharyya, Sarika Maitra

    2014-11-01

    We present a study of two model liquids with different interaction potentials, exhibiting similar structure but significantly different dynamics at low temperatures. By evaluating the configurational entropy, we show that the differences in the dynamics of these systems can be understood in terms of their thermodynamic differences. Analyzing their structure, we demonstrate that differences in pair correlation functions between the two systems, through their contribution to the entropy, dominate the differences in their dynamics, and indeed overestimate the differences. Including the contribution of higher order structural correlations to the entropy leads to smaller estimates for the relaxation times, as well as smaller differences between the two studied systems.

  6. Entropy-based financial asset pricing.

    Science.gov (United States)

    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.

  7. 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.

  8. How objective is black hole entropy?

    CERN Document Server

    Lau, Y K

    1994-01-01

    The objectivity of black hole entropy is discussed in the particular case of a Schwarzchild black hole. Using Jaynes' maximum entropy formalism and Euclidean path integral evaluation of partition function, it is argued that in the semiclassical limit when the fluctutation of metric is neglected, the black hole entropy of a Schwarzchild black hole is equal to the maximal information entropy of an observer whose sole knowledge of the black hole is its mass. Black hole entropy becomes a measure of number of its internal mass eigenstates in accordance with the Boltzmann principle only in the limit of negligible relative mass fluctutation. {}From the information theoretic perspective, the example of a Schwarzchild black hole seems to suggest that black hole entropy is no different from ordinary thermodynamic entropy. It is a property of the experimental data of a black hole, rather than being an intrinsic physical property of a black hole itself independent of any observer. However, it is still weakly objective in...

  9. Renormalized entanglement entropy flow in mass-deformed ABJM theory

    Science.gov (United States)

    Kim, Kyung Kiu; Kwon, O.-Kab; Park, Chanyong; Shin, Hyeonjoon

    2014-08-01

    We investigate a mass deformation effect on the renormalized entanglement entropy (REE) near the UV fixed point in (2+1)-dimensional field theory. In the context of the gauge/gravity duality, we use the Lin-Lunin-Maldacena geometries corresponding to the vacua of the mass-deformed ABJM theory. We analytically compute the small mass effect for various droplet configurations and show in holographic point of view that the REE is monotonically decreasing, positive, and stationary at the UV fixed point. These properties of the REE in (2+1)-dimensions are consistent with the Zamolodchikov c-function proposed in (1+1)-dimensional conformal field theory.

  10. Riemannian-geometric entropy for measuring network complexity

    Science.gov (United States)

    Franzosi, Roberto; Felice, Domenico; Mancini, Stefano; Pettini, Marco

    2016-06-01

    A central issue in the science of complex systems is the quantitative characterization of complexity. In the present work we address this issue by resorting to information geometry. Actually we propose a constructive way to associate with a—in principle, any—network a differentiable object (a Riemannian manifold) whose volume is used to define the entropy. The effectiveness of the latter in measuring network complexity is successfully proved through its capability of detecting a classical phase transition occurring in both random graphs and scale-free networks, as well as of characterizing small exponential random graphs, configuration models, and real networks.

  11. 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.

  12. Universal crossovers between entanglement entropy and thermal entropy

    Science.gov (United States)

    Swingle, Brian; Senthil, T.

    2013-01-01

    We postulate the existence of universal crossover functions connecting the universal parts of the entanglement entropy to the low-temperature thermal entropy in gapless quantum many-body systems. These scaling functions encode the intuition that the same low-energy degrees of freedom which control low-temperature thermal physics are also responsible for the long-range entanglement in the quantum ground state. We demonstrate the correctness of the proposed scaling form and determine the scaling function for certain classes of gapless systems whose low-energy physics is described by a conformal field theory. We also use our crossover formalism to argue that local systems which are “natural” can violate the boundary law at most logarithmically. In particular, we show that several non-Fermi-liquid phases of matter have entanglement entropy that is at most of order Ld-1log(L) for a region of linear size L thereby confirming various earlier suggestions in the literature. We also briefly apply our crossover formalism to the study of fluctuations in conserved quantities and discuss some subtleties that occur in systems that spontaneously break a continuous symmetry.

  13. 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).

  14. Business Model Process Configurations

    DEFF Research Database (Denmark)

    Taran, Yariv; Nielsen, Christian; Thomsen, Peter;

    2015-01-01

    strategic preference, as part of their business model innovation activity planned. Practical implications – This paper aimed at strengthening researchers and, particularly, practitioner’s perspectives into the field of business model process configurations. By insuring an [abstracted] alignment between......Purpose – The paper aims: 1) To develop systematically a structural list of various business model process configuration and to group (deductively) these selected configurations in a structured typological categorization list. 2) To facilitate companies in the process of BM innovation......, 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...

  15. Inequalities, Absolute Value, and Logical Connectives.

    Science.gov (United States)

    Parish, Charles R.

    1992-01-01

    Presents an approach to the concept of absolute value that alleviates students' problems with the traditional definition and the use of logical connectives in solving related problems. Uses a model that maps numbers from a horizontal number line to a vertical ray originating from the origin. Provides examples solving absolute value equations and…

  16. Absolute Income, Relative Income, and Happiness

    Science.gov (United States)

    Ball, Richard; Chernova, Kateryna

    2008-01-01

    This paper uses data from the World Values Survey to investigate how an individual's self-reported happiness is related to (i) the level of her income in absolute terms, and (ii) the level of her income relative to other people in her country. The main findings are that (i) both absolute and relative income are positively and significantly…

  17. Investigating Absolute Value: A Real World Application

    Science.gov (United States)

    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…

  18. Monolithically integrated absolute frequency comb laser system

    Energy Technology Data Exchange (ETDEWEB)

    Wanke, Michael C.

    2016-07-12

    Rather than down-convert optical frequencies, a QCL laser system directly generates a THz frequency comb in a compact monolithically integrated chip that can be locked to an absolute frequency without the need of a frequency-comb synthesizer. The monolithic, absolute frequency comb can provide a THz frequency reference and tool for high-resolution broad band spectroscopy.

  19. Entanglement Entropy in Jammed CFTs

    CERN Document Server

    Mefford, Eric

    2016-01-01

    We construct solutions to the Einstein equations for asymptotically locally Anti-de Sitter spacetimes with four, five, and six dimensional Reissner-Nordstr\\"om boundary metrics. These spacetimes are gravitational duals to "jammed" CFTs on those backgrounds at infinite N and strong coupling. For these spacetimes, we calculate the boundary stress tensor as well as compute entanglement entropies for ball shaped regions as functions of the boundary black hole temperature $T_{BH}$. From this, we see how the CFT prevents heat flow from the black hole to the vacuum at spatial infinity. We also compute entanglement entropies for a three dimensional boundary black hole using the AdS C-metric. We compare our results to previous work done in similar spacetimes.

  20. Entropy of unimodular Lattice Triangulations

    CERN Document Server

    Knauf, Johannes F; Mecke, Klaus

    2014-01-01

    Triangulations are important objects of study in combinatorics, finite element simulations and quantum gravity, where its entropy is crucial for many physical properties. Due to their inherent complex topological structure even the number of possible triangulations is unknown for large systems. We present a novel algorithm for an approximate enumeration which is based on calculations of the density of states using the Wang-Landau flat histogram sampling. For triangulations on two-dimensional integer lattices we achive excellent agreement with known exact numbers of small triangulations as well as an improvement of analytical calculated asymptotics. The entropy density is $C=2.196(3)$ consistent with rigorous upper and lower bounds. The presented numerical scheme can easily be applied to other counting and optimization problems.

  1. [Multiscale entropy analysis of electrocardiogram].

    Science.gov (United States)

    Wang, Jun; Ning, Xinbao; Li, Jin; Ma, Qianli; Xu, Yinlin; Bian, Chunhua

    2007-10-01

    Using the algorithm proposed by Costa M, et al., we studied the multiscale entropy (MSE) of electrocardiogram. The sample entropy (SampEn) of the healthy subjects was found to be higher than that of the subjects with coronary heart disease or myocardial infarction. The healthy subjects' complexity was found to be the highest. The SampEn of the subjects with coronary heart disease was noted to be only slightly higher than that of the subjects with myocardial infarction. These findings show that the complexity of the subjects with coronary heart disease or myocardial infarction is distinctly lower than the complexity of the healthy ones, and the subjects suffereing from coronary heart disease are liable to the onset of myocardial infarction. PMID:18027679

  2. Preserved entropy and fragile magnetism.

    Science.gov (United States)

    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.

  3. Preserved entropy and fragile magnetism

    Science.gov (United States)

    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.

  4. Entropy, Duality and Cross Diffusion

    OpenAIRE

    Desvillettes, Laurent; Lepoutre, Thomas; Moussa, Ayman

    2013-01-01

    This paper is devoted to the use of the entropy and duality methods for the existence theory of reaction-cross diffusion systems consisting of two equations, in any dimension of space. Those systems appear in population dynamics when the diffusion rates of individuals of two species depend on the concentration of individuals of the same species (self-diffusion), or of the other species (cross diffusion).

  5. The entropy of network ensembles

    OpenAIRE

    Bianconi, Ginestra

    2008-01-01

    In this paper we generalize the concept of random networks to describe networks with non trivial features by a statistical mechanics approach. This framework is able to describe ensembles of undirected, directed as well as weighted networks. These networks might have not trivial community structure or, in the case of networks embedded in a given space, non trivial distance dependence of the link probability. These ensembles are characterized by their entropy which evaluate the cardinality of ...

  6. Holographic Entanglement Entropy in NMG

    CERN Document Server

    Basanisi, Luca

    2016-01-01

    In this paper, we show that a higher derivative theory, such as New Massive Gravity, allows the existence of new entangling surfaces with non-zero extrinsic curvature. We perform the analysis for Lifshitz and Warped $AdS$ space times, revealing the role of the higher derivative contributions in the calculation of the holographic entanglement entropy. Finally, as an outcome of our holographic analysis we briefly comment on the dual boundary theory.

  7. ASSESSMENT OF MOTIVATION BY ENTROPY

    OpenAIRE

    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.

  8. Multicomponent and High Entropy Alloys

    Directory of Open Access Journals (Sweden)

    Brian Cantor

    2014-08-01

    Full Text Available This paper describes some underlying principles of multicomponent and high entropy alloys, and gives some examples of these materials. Different types of multicomponent alloy and different methods of accessing multicomponent phase space are discussed. The alloys were manufactured by conventional and high speed solidification techniques, and their macroscopic, microscopic and nanoscale structures were studied by optical, X-ray and electron microscope methods. They exhibit a variety of amorphous, quasicrystalline, dendritic and eutectic structures.

  9. Entropy Bounds in Spherical Space

    CERN Document Server

    Brevik, I; Odintsov, S D; Brevik, Iver; Milton, Kimball A.; Odintsov, Sergei D.

    2002-01-01

    Exact calculations are given for the Casimir energy for various fields in $R\\times S^3$ geometry. The Green's function method naturally gives a result in a form convenient in the high-temperature limit, while the statistical mechanical approach gives a form appropriate for low temperatures. The equivalence of these two representations is demonstrated. Some discrepancies with previous work are noted. In no case, even for ${\\cal N}=4$ SUSY, is the ratio of entropy to energy found to be bounded.

  10. Indistinguishability, symmetrisation and maximum entropy

    International Nuclear Information System (INIS)

    It is demonstrated that the distributions over single-particle states for Boltzmann, Bose-Einstein and Fermi-Dirac statistics describing N non-interacting identical particles follow directly from the principle of maximum entropy. It is seen that the notions of indistinguishability and coarse graining are secondary, if not irrelevant. A detailed examination of the structure of the Boltzmann limit is provided. (author)

  11. Maximum-Entropy Inference with a Programmable Annealer.

    Science.gov (United States)

    Chancellor, Nicholas; Szoke, Szilard; Vinci, Walter; Aeppli, Gabriel; Warburton, Paul A

    2016-03-03

    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.

  12. Maximum-Entropy Inference with a Programmable Annealer

    Science.gov (United States)

    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.

  13. ENTROPY OF LANGUAGE SYSTEM AS MAIN DEVELOPMENT INDICATOR

    OpenAIRE

    Ирина Михайловна Некипелова

    2014-01-01

    Article is devoted to the research of language system entropy. It is one of the main concept of synergetics and synergy. Entropy can be applied to description of language processes and detection of functioning and development features of language. Bilateral representation of entropy is caused by dichotomy of language and speech and it is feature of transference of entropy concept to linguistics area. Entropy can be representing by language entropy and speech entropy. These concepts are interd...

  14. Linearity of Holographic Entanglement Entropy

    CERN Document Server

    Almheiri, Ahmed; Swingle, Brian

    2016-01-01

    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 genera...

  15. Economics and Maximum Entropy Production

    Science.gov (United States)

    Lorenz, R. D.

    2003-04-01

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

  16. 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.

  17. Crowd macro state detection using entropy model

    Science.gov (United States)

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

    2015-08-01

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

  18. 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.

  19. Equivariant configuration spaces

    OpenAIRE

    Rourke, Colin; Sanderson, Brian

    1997-01-01

    We use the compression theorem (arxiv:math.GT/9712235) cf section 7, to prove results for equivariant configuration spaces analogous to the well-known non-equivariant results of May, Milgram and Segal.

  20. FEL phased array configurations

    Science.gov (United States)

    Shellan, Jeffrey B.

    1986-01-01

    The advantages and disadvantages of various phased array and shared aperture concepts for FEL configurations are discussed. Consideration is given to the characteristics of intra- and inter-micropulse phasing; intra-macropulse phasing; an internal coupled resonator configuration; and an injection locked oscillator array. The use of a master oscillator power amplifier (MOPA) configuration with multiple or single master oscillators for FELs is examined. The venetian blind, rotating plate, single grating, and grating rhomb shared aperture concepts are analyzed. It is noted that the shared aperture approach using a grating rhomb and the MOPA concept with a single master oscillator and a coupled resonator are useful for FEL phased array configurations; and the MOPA concept is most applicable.

  1. Firewall Configuration Errors Revisited

    CERN Document Server

    Wool, Avishai

    2009-01-01

    The first quantitative evaluation of the quality of corporate firewall configurations appeared in 2004, based on Check Point FireWall-1 rule-sets. In general that survey indicated that corporate firewalls were often enforcing poorly written rule-sets, containing many mistakes. The goal of this work is to revisit the first survey. The current study is much larger. Moreover, for the first time, the study includes configurations from two major vendors. The study also introduce a novel "Firewall Complexity" (FC) measure, that applies to both types of firewalls. The findings of the current study indeed validate the 2004 study's main observations: firewalls are (still) poorly configured, and a rule-set's complexity is (still) positively correlated with the number of detected risk items. Thus we can conclude that, for well-configured firewalls, ``small is (still) beautiful''. However, unlike the 2004 study, we see no significant indication that later software versions have fewer errors (for both vendors).

  2. Drupal 8 configuration management

    CERN Document Server

    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.

  3. Configuration Management Automation (CMA)

    Data.gov (United States)

    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...

  4. ATLAS DAQ Configuration Databases

    Institute of Scientific and Technical Information of China (English)

    I.Alexandrov; A.Amorim; 等

    2001-01-01

    The configuration databases are an important part of the Trigger/DAQ system of the future ATLAS experiment .This paper describes their current status giving details of architecture,implementation,test results and plans for future work.

  5. Airport Configuration Prediction Project

    Data.gov (United States)

    National Aeronautics and Space Administration — There is presently poor knowledge throughout the National Airspace System (NAS) of the airport configurations currently in use at each airport. There is even less...

  6. Relative entropy and the RG flow

    CERN Document Server

    Casini, Horacio; Torroba, Gonzalo

    2016-01-01

    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 $\\Delta$ of the perturbation that triggers the RG flow.

  7. Generalized Gravitational Entropy from Fermion Fields

    CERN Document Server

    Huang, Wung-Hong

    2016-01-01

    The generalized gravitational entropy proposed in recent by Lewkowycz and Maldacena [1] is extended to the system of Fermion fields. We first find the regular wave solution of Fermion field which has arbitrary frequency and mode number on the BTZ spacetime, and then use it to calculate the exact gravitational entropy. The results show that there is a threshold frequency below which the Fermion fields could not contribute the generalized gravitational entropy. Also, the static and zero-mode solutions have not entropy, contrast to that in scalar field. We also found that the entropy of the static scalar fields and non-static fermions is an increasing function of mode number and, after arriving the maximum entropy it becomes a deceasing function and is derived to the asymptotic value.

  8. Black hole entropy and the renormalization group

    CERN Document Server

    Satz, Alejandro

    2013-01-01

    Four decades after its first postulation by Bekenstein, black hole entropy remains mysterious. It has long been suggested that the entanglement entropy of quantum fields on the black hole gravitational background should represent at least an important contribution to the total Bekenstein-Hawking entropy, and that the divergences in the entanglement entropy should be absorbed in the renormalization of the gravitational couplings. In this talk, we describe how an improved understanding of black hole entropy is obtained by combining these notions with the renormalization group. By introducing an RG flow scale, we investigate whether the total entropy of the black hole can be partitioned in a "gravitational" part related to the flowing gravitational action, and a "quantum" part related to the unintegrated degrees of freedom. We describe the realization of this idea for free fields, and the complications and qualifications arising for interacting fields.

  9. Black hole versus cosmological horizon entropy

    CERN Document Server

    Davis, T M; Lineweaver, C H; Davis, Tamara M.; 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 show 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.

  10. Black hole versus cosmological horizon entropy

    International Nuclear Information System (INIS)

    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

  11. 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.

  12. Bulk entropy in loop quantum gravity

    Energy Technology Data Exchange (ETDEWEB)

    Livine, Etera R. [Laboratoire de Physique ENS Lyon, CNRS UMR 5672, 46 Allee d' Italie, 69364 Lyon Cedex 07 (France)], E-mail: etera.livine@ens-lyon.fr; Terno, Daniel R. [Centre for Quantum Computer Technology, Department of Physics, Macquarie University, Sydney NSW 2109 (Australia)], E-mail: dterno@physics.mq.edu.au

    2008-05-01

    In the framework of loop quantum gravity (LQG), we generalize previous boundary state counting for black hole entropy [E.R. Livine, D.R. Terno, Quantum black holes: Entropy and entanglement on the horizon, Nucl. Phys. B 741 (2006) 131, (gr-qc/0508085)] to a full bulk state counting. After suitable gauge fixing, we show how to compute the bulk entropy of a bounded region of space (the 'black hole') with fixed boundary conditions. This allows to study in detail the relationship between the entropy and the boundary area and to identify a holographic regime for LQG where the leading order of the entropy scales with the area. In this regime we can fine tune the factor between entropy and area without changing the Immirzi parameter.

  13. Entropy type complexity of quantum processes

    International Nuclear Information System (INIS)

    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)

  14. 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...... 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....

  15. Compact Torsatron configurations

    International Nuclear Information System (INIS)

    Low-aspect-ratio stellarator configurations can be realized by using torsatron winding. Plasmas with aspect ratios in the range of 3.5 to 5 can be confined by these Compact Torsatron configurations. Stable operation at high Β should be possible in these devices, if a vertical field coil system is adequately designed to avoid breaking of the magnetic surfaces at finite Β. 17 refs., 21 figs., 1 tab

  16. Entropy landscape of solutions in the binary perceptron problem

    International Nuclear Information System (INIS)

    The statistical picture of the solution space for a binary perceptron is studied. The binary perceptron learns a random classification of input random patterns by a set of binary synaptic weights. The learning of this network is difficult especially when the pattern (constraint) density is close to the capacity, which is supposed to be intimately related to the structure of the solution space. The geometrical organization is elucidated by the entropy landscape from a reference configuration and of solution-pairs separated by a given Hamming distance in the solution space. We evaluate the entropy at the annealed level as well as replica symmetric level and the mean field result is confirmed by the numerical simulations on single instances using the proposed message passing algorithms. From the first landscape (a random configuration as a reference), we see clearly how the solution space shrinks as more constraints are added. From the second landscape of solution-pairs, we deduce the coexistence of clustering and freezing in the solution space. (paper)

  17. Black Hole Entropy without Brick Walls

    OpenAIRE

    Demers, J. -G.; Lafrance, R.; Myers, R. C.

    1995-01-01

    We present evidence which confirms a suggestion by Susskind and Uglum regarding black hole entropy. Using a Pauli-Villars regulator, we find that 't Hooft's approach to evaluating black hole entropy through a statistical-mechanical counting of states for a scalar field propagating outside the event horizon yields precisely the one-loop renormalization of the standard Bekenstein-Hawking formula, $S=\\A/(4G)$. Our calculation also yields a constant contribution to the black hole entropy, a contr...

  18. Extreme Entropy Machines: Robust information theoretic classification

    OpenAIRE

    Czarnecki, Wojciech Marian; Tabor, Jacek

    2015-01-01

    Most of the existing classification methods are aimed at minimization of empirical risk (through some simple point-based error measured with loss function) with added regularization. We propose to approach this problem in a more information theoretic way by investigating applicability of entropy measures as a classification model objective function. We focus on quadratic Renyi's entropy and connected Cauchy-Schwarz Divergence which leads to the construction of Extreme Entropy Machines (EEM). ...

  19. 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.

  20. de Sitter entropy from conformal field theory

    CERN Document Server

    Kabat, D; Kabat, Daniel; Lifschytz, Gilad

    2002-01-01

    We propose that the entropy of de Sitter space can be identified with the mutual entropy of a dual conformal field theory. We argue that unitary time evolution in de Sitter space restricts the total number of excited degrees of freedom to be bounded by the de Sitter entropy, and we give a CFT interpretation of this restriction. We also clarify issues arising from the fact that both de Sitter and anti de Sitter have dual descriptions in terms of conformal field theory.

  1. Gravity Quanta, Entropy and Black Holes

    CERN Document Server

    Alfonso-Faus, A

    1999-01-01

    We propose the use of a gravitational uncertainty principle for gravitation.We define the corresponding gravitational Planck's constant and thegravitational quantum of mass. We define entropy in terms of the quantum ofgravity with the property of having an extensive quality. The equivalent 2ndlaw of thermodynamics is derived, the entropy increasing linearly withcosmological time. These concepts are applied to the case of black holes,finding their entropy and discussing their radiation.

  2. Entanglement entropy, conformal invariance and extrinsic geometry

    OpenAIRE

    Solodukhin, Sergey N.

    2008-01-01

    We use the conformal invariance and the holographic correspondence to fully specify the dependence of entanglement entropy on the extrinsic geometry of the 2d surface $\\Sigma$ that separates two subsystems of quantum strongly coupled ${\\mathcal{N}}=4$ SU(N) superconformal gauge theory. We extend this result and calculate entanglement entropy of a generic 4d conformal field theory. As a byproduct, we obtain a closed-form expression for the entanglement entropy in flat space-time when $\\Sigma$ ...

  3. Entropy computing via integration over fractal measures.

    Science.gov (United States)

    Słomczynski, Wojciech; Kwapien, Jarosław; Zyczkowski, Karol

    2000-03-01

    We discuss the properties of invariant measures corresponding to iterated function systems (IFSs) with place-dependent probabilities and compute their Renyi entropies, generalized dimensions, and multifractal spectra. It is shown that with certain dynamical systems, one can associate the corresponding IFSs in such a way that their generalized entropies are equal. This provides a new method of computing entropy for some classical and quantum dynamical systems. Numerical techniques are based on integration over the fractal measures. (c) 2000 American Institute of Physics.

  4. Time Series Analysis Using Composite Multiscale Entropy

    OpenAIRE

    Kung-Yen Lee; Chun-Chieh Wang; Shiou-Gwo Lin; Chiu-Wen Wu; Shuen-De Wu

    2013-01-01

    Multiscale entropy (MSE) was recently developed to evaluate the complexity of time series over different time scales. Although the MSE algorithm has been successfully applied in a number of different fields, it encounters a problem in that the statistical reliability of the sample entropy (SampEn) of a coarse-grained series is reduced as a time scale factor is increased. Therefore, in this paper, the concept of a composite multiscale entropy (CMSE) is introduced to overcome this difficulty. S...

  5. Holographic actions from black hole entropy

    OpenAIRE

    Caravelli, Francesco; Modesto, Leonardo

    2010-01-01

    Using the Wald's relation between the Noether charge of diffeomorphisms and the entropy for a generic spacetime possessing a bifurcation surface, we introduce a method to obtain a family of higher order derivatives effective actions from the entropy of black holes. Our point of view is to consider fundamental the black hole entropy and the action an emerged object. We then specialize to a particular class of effective theories: the f(R) theories. We apply the idea, using a simple mind ansatz,...

  6. Quantum aspects of black hole entropy

    Indian Academy of Sciences (India)

    Parthasarathi Majumdar

    2000-10-01

    This survey intends to cover recent approaches to black hole entropy which attempt to go beyond the standard semiclassical perspective. 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 holes in string-based = 2 supergravity are also discussed, albeit more briefly.

  7. Link prediction based on path entropy

    CERN Document Server

    Xu, Zhongqi; Yang, Jian

    2015-01-01

    Information theory has been taken as a prospective tool for quantifying the complexity of complex networks. In this paper, we first study the information entropy or uncertainty of a path using the information theory. Then we apply the path entropy to the link prediction problem in real-world networks. Specifically, we propose a new similarity index, namely Path Entropy (PE) index, which considers the information entropies of shortest paths between node pairs with penalization to long paths. Empirical experiments demonstrate that PE index outperforms the mainstream link predictors.

  8. Entropy-Corrected Holographic Dark Energy

    OpenAIRE

    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 i...

  9. Standard entropies of anhydrous metal selenates

    International Nuclear Information System (INIS)

    Data available in literature on the solubility products and solution heats of difficultly soluble selenates of Ag, Sr, Ba, Tl, and Pb are examined. Standard entropies of the above-mentioned compounds are calculated on the basis of thus selected and recent reference data. A linear correlation between standard entropies of these selenates and corresponding sulfates is found. Standard entropy of RaSeO4 (151.9 J/(mol K)) has been estimated making use of the correlation. Standard entropies of selenates of Cd, Zn, etc., have been estimated, as well. 25 refs.; 3 tabs

  10. Dynamical entropy for systems with stochastic perturbation

    CERN Document Server

    Ostruszka, A; Slomczynski, W; Zyczkowski, K; Ostruszka, Andrzej; Pakonski, Prot; Slomczynski, Wojciech; Zyczkowski, Karol

    1999-01-01

    Dynamics of deterministic systems perturbed by random additive noise is characterized quantitatively. Since for such systems the KS-entropy diverges we analyse the difference between the total entropy of a noisy system and the entropy of the noise itself. We show that this quantity is non negative and in the weak noise limit is conjectured to tend to the KS-entropy of the deterministic system. In particular, we consider one-dimensional systems with noise described by a finite-dimensional kernel, for which the Frobenius-Perron operator can be represented by a finite matrix.

  11. Limitations on Dimensional Regularization in Renyi Entropy

    CERN Document Server

    Bao, Ning

    2016-01-01

    Dimensional regularization is a common method used to regulate the UV divergence of field theoretic quantities. When it is used in the context of Renyi entropy, however, it is important to consider whether such a procedure eliminates the statistical interpretation thereof as a measure of entanglement of states living on a Hilbert space. We therefore examine the dimensionally regularized Renyi entropy of a 4d unitary CFT and show that it admits no underlying Hilbert space in the state-counting sense. This gives a concrete proof that dimensionally regularized Renyi entropy cannot always be obtained as a limit of the Renyi entropy of some finite-dimensional quantum system.

  12. Holographic actions from black hole entropy

    CERN Document Server

    Caravelli, Francesco

    2010-01-01

    Using the Wald's relation between the Noether charge of diffeomorphisms and the entropy for a generic spacetime possessing a bifurcation surface, we introduce a method to obtain a family of higher order derivatives effective actions from the entropy of black holes. Our point of view is to consider fundamental the black hole entropy and the action an emerged object. We then specialize to a particular class of effective theories: the f(R) theories. We apply the idea, using a simple mind ansatz, to loop quantum gravity and to a general class of log-corrected entropy formulas.

  13. Bulk Entropy in Loop Quantum Gravity

    CERN Document Server

    Livine, Etera R

    2007-01-01

    In the framework of loop quantum gravity (LQG), having quantum black holes in mind, we generalize the previous boundary state counting (gr-qc/0508085) to a full bulk state counting. After a suitable gauge fixing we are able to compute the bulk entropy of a bounded region (the "black hole") with fixed boundary. This allows us to study the relationship between the entropy and the boundary area in details and we identify a holographic regime of LQG where the leading order of the entropy scales with the area. We show that in this regime we can fine tune the factor between entropy and area without changing the Immirzi parameter.

  14. Can Holographic Entanglement Entropy Distinguish Relaxation Timescales?

    CERN Document Server

    Rahimi, M; Lezgi, M

    2016-01-01

    We use gauge-gravity duality to compute entanglement entropy in a non-conformal background with an energy scale $\\Lambda$. At zero temperature, we observe that entanglement entropy decreases by raising $\\Lambda$. However, at finite temperature, we realize that both $\\frac{\\Lambda}{T}$ and entanglement entropy rise together. Comparing entanglement entropy of the non-conformal theory, $S_{A(N)}$, and of its conformal theory at the $UV$ limit, $ S_{A(C)}$, rereals that $S_{A(N)}$ can be larger or smaller than $S_{A(C)}$, depending on the value of $\\frac{\\Lambda}{T}$

  15. Entropy of images after wavelet transform

    Institute of Scientific and Technical Information of China (English)

    TIAN Feng-chun; JI Yan-li; HAN Liang; KADRI Chaibou

    2008-01-01

    We studied the variation of image entropy before and after wavelet decomposition, the optimal number of wavelet decomposition layers, and the effect of wavelet bases and image frequency components on entropy. Numerous experiments were done on typical images to calculate (using Matlab) the entropy before and after wavelet transform. It was verified that, to obtain minimal entropy, a three-layer decomposition should be adopted rather than higher orders. The result achieved by using biorthogonal wavelet decomposition is better than that of the orthogonal wavelet decomposition. The results are not directly proportional to the vanishing moment, however.

  16. Metric Entropy of Nonautonomous Dynamical Systems

    Directory of Open Access Journals (Sweden)

    Kawan Christoph

    2014-01-01

    Full Text Available We introduce the notion of metric entropy for a nonautonomous dynamical system given by a sequence (Xn; μn of probability spaces and a sequence of measurable maps fn : Xn → Xn+1 with fnμn = μn+1. This notion generalizes the classical concept of metric entropy established by Kolmogorov and Sinai, and is related via a variational inequality to the topological entropy of nonautonomous systems as defined by Kolyada, Misiurewicz, and Snoha. Moreover, it shares several properties with the classical notion of metric entropy. In particular, invariance with respect to appropriately defined isomorphisms, a power rule, and a Rokhlin-type inequality are proved

  17. The Simplicity Argument and Absolute Morality

    Science.gov (United States)

    Mijuskovic, Ben

    1975-01-01

    In this paper the author has maintained that there is a similarity of thought to be found in the writings of Cudworth, Emerson, and Husserl in his investigation of an absolute system of morality. (Author/RK)

  18. Absolute calibration technique for spontaneous fission sources

    International Nuclear Information System (INIS)

    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

  19. Information Entropy and Co-entropy of Crisp and Fuzzy granulations

    OpenAIRE

    Bianucci, D; G. Cattaneo; Ciucci, DE

    2007-01-01

    The standard approach to information entropy applied to partitions of a universe is equivalently formulated as the entropy of the corresponding crisp identity resolutions, interpreted as crisp granulations, by the corresponding characteristic functionals. Moreover, in this crisp context the co–entropy notion is introduced. The extension to the case of fuzzy identity resolutions, a particular case of fuzzy granulation, is studied.

  20. Mechanically Alloyed High Entropy Composite

    Science.gov (United States)

    Popescu, G.; Adrian, M. M.; Csaki, I.; Popescu, C. A.; Mitrică, D.; Vasile, S.; Carcea, I.

    2016-08-01

    In the last years high entropy alloys have been investigated due to their high hardness, high temperature stability and unusual properties that make these alloys to have significant interest. In comparison with traditional alloys that are based on two or three major elements, this new generation alloys consists at least of 5 principal elements, with the concentration between 5 and 35 at.%. The present paper reports synthesis of high entropy alloys (HEA) and high entropy composites (HEC) synthesized by mechanical alloying (MA). The equiatomic AlCrFeNiMn matrix was used for creating the HEA matrix, starting from elemental powders and as reinforcing material for composites was used pure graphite. The mechanical alloying process was carried out at different duration, in a high energy planetary ball mill, under argon atmosphere. The elemental powders alloying began after '5 hours of milling and was complete after 40 hours. The mechanical alloyed matrix and composite was pressed and heat treated under argon protection. The elemental powers were investigated for physical - technological properties, and by X-ray diffraction and scanning electron microscopy. Phase pressing operation was realized with a hydraulic press and the applied pressure was progressive. The sintering process was carried out at 850°C for 2 h. The X-ray diffraction revealed that the MA process resulted in solid solutions formation and also revealed body- centred cubic (BCC) and face-centred cubic (FCC) structures with average grain size around 40 nm. In addition, nanoscale particles were highlighted by scanning electron microscopy, as well as the homogeneity of the chemical composition of the matrix and composite that was confirmed by EDX microanalysis. It was noted that HEA matrix and HEA composites were processed with a high degree of compaction and with a quite large capacity of mixed powder densification (around 70%).

  1. Absolute distance metrology for space interferometers

    OpenAIRE

    Swinkels, B L; Wendrich, T.J.; Bhattacharya, N; Wielders, A.A.; Braat, J.J.M.

    2004-01-01

    Space interferometers consisting of several free flying telescopes, such as the planned Darwin mission, require a complex metrology system to make all the components operate as a single instrument. Our research focuses on one of its sub-systems that measures the absolute distance between two satellites with high accuracy. For Darwin the required accuracy would be in the order of 10 μm over 250 meter. To measure this absolute distance, we are currently exploring the frequency sweeping interfer...

  2. Entanglement Entropy of Periodic Sublattices

    CERN Document Server

    He, Temple; Vandoren, Stefan

    2016-01-01

    We study the entanglement entropy (EE) of Gaussian systems on a lattice with periodic boundary conditions, both in the vacuum and at nonzero temperatures. By restricting the reduced subsystem to periodic sublattices, we can compute the entanglement spectrum and EE exactly. We illustrate this for a free (1+1)-dimensional massive scalar field at a fixed temperature. Consistent with previous literature, we demonstrate that for a sufficiently large periodic sublattice the EE grows extensively, even in the vacuum. Furthermore, the analytic expression for the EE allows us probe its behavior both in the massless limit and in the continuum limit at any temperature.

  3. Absolute Configuration of (-)-2-(4-Hydroxyphenyl)propionic acid: Stereochemistry of Soy Isoflavone Metabolism

    International Nuclear Information System (INIS)

    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

  4. Absolute Configuration of (-)-2-(4-Hydroxyphenyl)propionic acid: Stereochemistry of Soy Isoflavone Metabolism

    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.

  5. Direct Determination of Absolute Configuration of Methyl-Substituted Phenyloxiranes: A Combined Experimental and Theoretical Approach

    DEFF Research Database (Denmark)

    Fristrup, Peter; Lassen, Peter Rygaard; Johannessen, Christian;

    2006-01-01

    Three possible methyl-substituted phenyloxiranes have been synthesized in enantioenriched form (89-99% enantiomeric excess (ee)), and their vibrational absorption (VA) and vibrational circular dichroism (VCD) spectra have been recorded. The experimental spectra are compared to theoretical spectra...... by comparing experimental and theoretical spectra. In addition, we have been able to document the changes that occur both in structures and in the VA and VCD spectra due to substituent effects on the oxirane ring....

  6. Time dependence of Hawking radiation entropy

    International Nuclear Information System (INIS)

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

  7. The LHCb configuration database

    CERN Document Server

    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...

  8. Configuration Control Office

    CERN Multimedia

    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.

  9. Exact Probability Distribution versus Entropy

    Directory of Open Access Journals (Sweden)

    Kerstin Andersson

    2014-10-01

    Full Text Available The problem  addressed concerns the determination of the average number of successive attempts  of guessing  a word of a certain  length consisting of letters with given probabilities of occurrence. Both first- and second-order approximations  to a natural language are considered.  The guessing strategy used is guessing words in decreasing order of probability. When word and alphabet sizes are large, approximations  are necessary in order to estimate the number of guesses.  Several  kinds of approximations  are discussed demonstrating moderate requirements regarding both memory and central processing unit (CPU time. When considering realistic  sizes of alphabets and words (100, the number of guesses can be estimated  within minutes with reasonable accuracy (a few percent and may therefore constitute an alternative to, e.g., various entropy expressions.  For many probability  distributions,  the density of the logarithm of probability products is close to a normal distribution. For those cases, it is possible to derive an analytical expression for the average number of guesses. The proportion  of guesses needed on average compared to the total number  decreases almost exponentially with the word length. The leading term in an asymptotic  expansion can be used to estimate the number of guesses for large word lengths. Comparisons with analytical lower bounds and entropy expressions are also provided.

  10. A global algorithm for estimating Absolute Salinity

    Directory of Open Access Journals (Sweden)

    T. J. McDougall

    2012-12-01

    Full Text Available 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.

  11. Renormalized entropies in a de Sitter spacetime

    Science.gov (United States)

    Xiang, Li; Shen, You-Gen

    2005-07-01

    The quantum entropies due to the scalar and Dirac fields are investigated in a pure de Sitter spacetime. The leading divergent terms in both cases are regularized by the Pauli-Villars scheme. It is shown that the explosive entropies can be renormalized according to the Bekenstein-Hawking formula.

  12. Entropy Generation in a Chemical Reaction

    Science.gov (United States)

    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…

  13. Black hole entropy in loop quantum gravity

    Science.gov (United States)

    Agulló, Iván; Barbero G, J. Fernando; Borja, E. F.; Díaz-Polo, Jacobo; Villaseñor, Eduardo J. S.

    2012-05-01

    We discuss the recent progress on black hole entropy in loop quantum gravity, focusing in particular on the recently discovered discretization effect for microscopic black holes. Powerful analytical techniques have been developed to perform the exact computation of entropy. A statistical analysis of the structures responsible for this effect shows its progressive damping and eventual disappearance as one increases the considered horizon area.

  14. Estimating the entropy of DNA sequences.

    Science.gov (United States)

    Schmitt, A O; Herzel, H

    1997-10-01

    The Shannon entropy is a standard measure for the order state of symbol sequences, such as, for example, DNA sequences. In order to incorporate correlations between symbols, the entropy of n-mers (consecutive strands of n symbols) has to be determined. Here, an assay is presented to estimate such higher order entropies (block entropies) for DNA sequences when the actual number of observations is small compared with the number of possible outcomes. The n-mer probability distribution underlying the dynamical process is reconstructed using elementary statistical principles: The theorem of asymptotic equi-distribution and the Maximum Entropy Principle. Constraints are set to force the constructed distributions to adopt features which are characteristic for the real probability distribution. From the many solutions compatible with these constraints the one with the highest entropy is the most likely one according to the Maximum Entropy Principle. An algorithm performing this procedure is expounded. It is tested by applying it to various DNA model sequences whose exact entropies are known. Finally, results for a real DNA sequence, the complete genome of the Epstein Barr virus, are presented and compared with those of other information carriers (texts, computer source code, music). It seems as if DNA sequences possess much more freedom in the combination of the symbols of their alphabet than written language or computer source codes. PMID:9344742

  15. 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.

  16. Emission and Absorption Entropy Generation in Semiconductors

    DEFF Research Database (Denmark)

    Reck, Kasper; Varpula, Aapo; Prunnila, Mika;

    2013-01-01

    While emission and absorption entropy generation is well known in black bodies, it has not previously been studied in semiconductors, even though semiconductors are widely used for solar light absorption in modern solar cells [1]. We present an analysis of the entropy generation in semiconductor ...

  17. 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.

  18. 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.

  19. Absolute rate of thermal desorption from first-principles simulation

    International Nuclear Information System (INIS)

    We present a technique for computing by first-principles simulation the absolute desorption rate γ of adsorbate molecules from a surface for any coverage and temperature. The technique is valid when the thermal equilibration rate on the surface is faster than γ, and is based on an exact expression for γ in terms of the difference of non-configurational chemical potentials of gas-phase and adsorbed molecules. This difference is expressed in terms of a potential of mean force, which is computed by constrained first-principles molecular dynamics. The technique is applied to D2O on the MgO(001) surface at low coverage, using the generalized gradient approximation (GGA) for exchange-correlation energy. Comparisons with experimental temperature programmed desorption data allow an assessment of the accuracy of the GGA for the adsorption of D2O on MgO(001). (letter to the editor)

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

    CERN Document Server

    Hanel, Rudolf; Gell-Mann, Murray

    2014-01-01

    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 exists an ongoing controversy whether the notion of the maximum entropy principle can be extended in a meaningful way to non-extensive, non-ergodic, 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 non-ergodic and complex statistical systems if their relative entropy can be factored into a general...

  1. Control Volume Analysis, Entropy Balance and the Entropy Production in Flow Systems

    CERN Document Server

    Niven, Robert K

    2014-01-01

    This chapter concerns "control volume analysis", the standard engineering tool for the analysis of flow systems, and its application to entropy balance calculations. Firstly, the principles of control volume analysis are enunciated and applied to flows of conserved quantities (e.g. mass, momentum, energy) through a control volume, giving integral (Reynolds transport theorem) and differential forms of the conservation equations. Several definitions of steady state are discussed. The concept of "entropy" is then established using Jaynes' maximum entropy method, both in general and in equilibrium thermodynamics. The thermodynamic entropy then gives the "entropy production" concept. Equations for the entropy production are then derived for simple, integral and infinitesimal flow systems. Some technical aspects are examined, including discrete and continuum representations of volume elements, the effect of radiation, and the analysis of systems subdivided into compartments. A Reynolds decomposition of the entropy ...

  2. Entropy as an adiabatic invariant

    OpenAIRE

    Montakhab, Afshin; Tavassoli, Arash

    2016-01-01

    This short article was submitted to Nature Physics as a Correspondence. The intention was to provide a brief albeit significant criticism of the work of J. Dunkel and S. Hilbert, \\textit{Consistent Thermostatistics Forbids Negative Absolute Temperatures}, Nature Physics \\textbf{10}, (2014). The respected editor decided not to publish the Correspondence. We have therefore decided to submit the paper to arXiv. Comments/criticisms are welcomed, particularly from the authors of the mentioned paper.

  3. Analysis of complex time series using refined composite multiscale entropy

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Shuen-De; Wu, Chiu-Wen [Department of Mechatronic Technology, National Taiwan Normal University, Taipei 10610, Taiwan (China); Lin, Shiou-Gwo [Department of Communications, Navigation and Control Engineering, National Taiwan Ocean University, Keelung 20224, Taiwan (China); Lee, Kung-Yen [Department of Engineering Science and Ocean Engineering, National Taiwan University, Taipei 10617, Taiwan (China); Peng, Chung-Kang [College of Health Sciences and Technology, National Central University, Chung-Li 32001, Taiwan (China); Division of Interdisciplinary Medicine and Biotechnology, Beth Israel Deaconess Medical Center/Harvard Medical School, Boston (United States)

    2014-04-01

    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.

  4. Entanglement entropy in top-down models

    CERN Document Server

    Jones, Peter A R

    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.

  5. A Comment on Entropy and Area

    CERN Document Server

    Kabat, D

    1994-01-01

    For an arbitrary quantum field in flat space with a planar boundary, an entropy of entanglement, associated with correlations across the boundary, is present when the field is in its vacuum state. The vacuum state of the same quantum field appears thermal in Rindler space, with an associated thermal entropy. We show that the density matrices describing the two situations are identical, and therefore that the two entropies are equal. We comment on the generality and significance of this result, and make use of it in analyzing the area and cutoff dependence of the entropy. The equivalence of the density matrices leads us to speculate that a planar boundary in Minkowski space has a classical entropy given by the Bekenstein--Hawking formula.

  6. Entanglement entropy in top-down models

    Science.gov (United States)

    Jones, Peter A. R.; Taylor, Marika

    2016-08-01

    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 entan-glement entropy thus computed agrees with the entanglement entropy computed using the Ryu-Takayanagi formula from the lower-dimensional Einstein metric obtained from reduc-tion 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.

  7. 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.

  8. Dynamical entropy for systems with stochastic perturbation

    Science.gov (United States)

    Ostruszka; Pakonski; Slomczynski; Zyczkowski

    2000-08-01

    Dynamics of deterministic systems perturbed by random additive noise is characterized quantitatively. Since for such systems the Kolmogorov-Sinai (KS) entropy diverges if the diameter of the partition tends to zero, we analyze the difference between the total entropy of a noisy system and the entropy of the noise itself. We show that this quantity is finite and non-negative and we call it the dynamical entropy of the noisy system. In the weak noise limit this quantity is conjectured to tend to the KS entropy of the deterministic system. In particular, we consider one-dimensional systems with noise described by a finite-dimensional kernel for which the Frobenius-Perron operator can be represented by a finite matrix.

  9. Relativistic Entropy and Related Boltzmann Kinetics

    CERN Document Server

    Kaniadakis, G

    2009-01-01

    It is well known that the particular form of the two-particle correlation function, in the collisional integral of the classical Boltzmman equation, fix univocally the entropy of the system, which turn out to be the Boltzmann-Gibbs-Shannon entropy. In the ordinary relativistic Boltzmann equation, some standard generalizations, with respect its classical version, imposed by the special relativity, are customarily performed. The only ingredient of the equation, which tacitely remains in its original classical form, is the two-particle correlation function, and this fact imposes that also the relativistic kinetics is governed by the Boltzmann-Gibbs-Shannon entropy. Indeed the ordinary relativistic Boltzmann equation admits as stationary stable distribution, the exponential Juttner distribution. Here, we show that the special relativity laws and the maximum entropy principle, suggest a relativistic generalization also of the two-particle correlation function and then of the entropy. The so obtained, fully relativ...

  10. The role of entropy in magnetotail dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Birn, Joachim [Los Alamos National Laboratory; Zaharia, Sorin [Los Alamos National Laboratory; Hesse, Michael [NASA/GSFC; Schindler, K [INSTITUT FOR THEORETISCHE

    2008-01-01

    The role of entropy conservation and loss in magnetospheric dynamics, particularly in relation to substorm phases, is discussed on the basis of MHD theory and simulations, using comparisons with PIC simulations for validation. Entropy conservation appears to be a crucial element leading to the formation of thin embedded current sheets in the late substorm growth phase and the potential loss of equilibrium. Entropy loss (in the form of plasmoids) is essential in the earthward transport of flux tubes (bubbles, bursty bulk flows). Entropy loss also changes the tail stability properties and may render ballooning modes unstable and thus contribute to cross-tail variability. We illustrate these effects through results from theory and simulations. Entropy conservation also governs the accessibility of final states of evolution and the amount of energy that may be released.

  11. Generalized Gibbs Entropy, Irreversibility and Stationary States

    Directory of Open Access Journals (Sweden)

    A. Pérez-Madrid

    2005-12-01

    Full Text Available A generalization of the Gibbs entropy postulate is proposed, based on the BBGKY hierarchy as the non-equilibrium entropy for a system of N interacting particles. This entropy satisfies the basic principles of thermodynamics in the sense that it reaches its maximum at equilibrium and is coherent with the second law. By using this entropy and the methods of non-equilibrium thermodynamics in the phase space, a generalization of the Liouville equation describing the evolution of the distribution vector in the form of a master equation is obtained. After neglecting correlations in this master equation, the Boltzmann equation was obtained. Moreover, this entropy remains constant in nonequilibrium stationary states and leads to macroscopic hydrodynamics. Non-equilibrium Green-Kubo type relations and the probability for the non-equilibrium fluctuations are also derived.

  12. Charged Renyi entropies and holographic superconductors

    CERN Document Server

    Belin, Alexandre; Maloney, Alexander; Matsuura, Shunji

    2014-01-01

    Charged Renyi entropies were recently introduced as a measure of entanglement between different charge sectors of a theory. We investigate the phase structure of charged Renyi entropies for CFTs with a light, charged scalar operator. The charged Renyi entropies are calculated holographically via areas of charged hyperbolic black holes. These black holes can become unstable to the formation of scalar hair at sufficiently low temperature; this is the holographic superconducting instability in hyperbolic space. This implies that the Renyi entropies can be non-analytic in the Renyi parameter n. We find the onset of this instability as a function of the charge and dimension of the scalar operator. We also comment on the relation between the phase structure of these entropies and the phase structure of a holographic superconductor in flat space.

  13. Trends of stellar entropy along stellar evolution

    International Nuclear Information System (INIS)

    This paper is devoted to discussing the difference in the thermodynamic entropy budget per baryon in each type of stellar object found in the Universe. We track and discuss the actual decrease of the stored baryonic thermodynamic entropy from the most primitive molecular cloud up to the final fate of matter in black holes, passing through evolved states of matter as found in white dwarfs and neutron stars. We then discuss the case of actual stars with different masses throughout their evolution, clarifying the role of the virial equilibrium condition for the decrease in entropy and related issues. Finally, we discuss the role of gravity in driving the composition and the structural changes of stars with different Main Sequence masses during their evolution up to the final product. Particularly, we discuss the entropy of a black hole in this context arguing that the dramatic increase in its entropy, differently from the other cases, is due to the gravitational field itself. (paper)

  14. Ansible configuration management

    CERN Document Server

    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.

  15. Space Station Final Configuration

    Science.gov (United States)

    1994-01-01

    An artist's conception of what the final configuration of the International Space Station (ISS) will look like when it is fully built and deployed. The ISS is a multidisciplinary laboratory, technology test bed, and observatory that will provide an unprecedented undertaking in scientific, technological, and international experimentation.

  16. Inclusive Services Innovation Configuration

    Science.gov (United States)

    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…

  17. DNS BIND Server Configuration

    Directory of Open Access Journals (Sweden)

    Radu MARSANU

    2011-01-01

    Full Text Available After a brief presentation of the DNS and BIND standard for Unix platforms, the paper presents an application which has a principal objective, the configuring of the DNS BIND 9 server. The general objectives of the application are presented, follow by the description of the details of designing the program.

  18. Isosteric Vapor Pressure – Temperature Data for Water Sorption in Hardened Cement Paste: Enthalpy, Entropy and Sorption Isotherms at Different Temperatures

    DEFF Research Database (Denmark)

    Radjy, Fariborz; Sellevold, Erik J.; Hansen, Kurt Kielsgaard

    -T data automatically during slow heating and cooling. The generated data are subjected to regression analysis leading to very close curve fitting of the P-T data and enabling appropriate enthalpy and entropy computations. The TPA system's absolute accuracy is checked by generating P-T data for pure water...

  19. Universal Cosmic Absolute and Modern Science

    Science.gov (United States)

    Kostro, Ludwik

    The official Sciences, especially all natural sciences, respect in their researches the principle of methodic naturalism i.e. they consider all phenomena as entirely natural and therefore in their scientific explanations they do never adduce or cite supernatural entities and forces. The purpose of this paper is to show that Modern Science has its own self-existent, self-acting, and self-sufficient Natural All-in Being or Omni-Being i.e. the entire Nature as a Whole that justifies the scientific methodic naturalism. Since this Natural All-in Being is one and only It should be considered as the own scientifically justified Natural Absolute of Science and should be called, in my opinion, the Universal Cosmic Absolute of Modern Science. It will be also shown that the Universal Cosmic Absolute is ontologically enormously stratified and is in its ultimate i.e. in its most fundamental stratum trans-reistic and trans-personal. It means that in its basic stratum. It is neither a Thing or a Person although It contains in Itself all things and persons with all other sentient and conscious individuals as well, On the turn of the 20th century the Science has begun to look for a theory of everything, for a final theory, for a master theory. In my opinion the natural Universal Cosmic Absolute will constitute in such a theory the radical all penetrating Ultimate Basic Reality and will substitute step by step the traditional supernatural personal Absolute.

  20. First principle nonlinear quantum dynamics using a correlation-based von Neumann entropy

    Science.gov (United States)

    Westermann, Till; Manthe, Uwe

    2012-05-01

    A new concept to describe the quantum dynamics in complex systems is suggested. It extends established schemes based on the Dirac-Frenkel variation principle, e.g., the multi-configurational time-dependent Hartree (MCTDH) approach. The concept is based on a correlation-based von Neumann entropy (CvN-entropy) definition measuring the complexity of the wavefunction. Equations of motion are derived using a CvN-entropy constraint in the variational principle and result in a generally applicable effective Hamiltonian. It consists of the standard Hamilton operator and an additional nonlinear operator which limits the complexity of the wavefunction. Effectively, this nonlinear operator absorbs complex structures which are emerging in the wavefunction and allows one to introduce non-norm conserving equations of motion. Important aspects of the new concept are outlined studying the wave packet propagation on the diabatic B2 potential energy surfaces of NO2. First, it is demonstrated that during standard wave packet propagation the CvN-entropy increases strongly with time roughly independent of the coordinate systems employed. Second, one finds that employing CvN-entropy constrained MCTDH propagation yields improved wave function accuracy on longer time scales while compromising on the short time accuracy. Third, the loss of the wavefunction's norm is directly related to the overlap with the exact wavefunction. This provides an error estimate available without knowing an exact reference.

  1. Reference frame for Product Configuration

    DEFF Research Database (Denmark)

    Ladeby, Klaes Rohde; Oddsson, Gudmundur Valur

    2011-01-01

    This paper presents a reference frame for configuration. The reference frame is established by review of existing literature, and consequently it is a theoretical frame of reference. The review of literature shows a deterioration of the understanding of configuration. Most recent literature reports...... on configuration systems in the shape of anecdotal reporting on the development of information systems that perhaps support the configuration task – perhaps not. Consequently, the definition of configuration has become ambiguous as different research groups defines configuration differently. This paper propose...... 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...

  2. Absolute calibration in vivo measurement systems

    International Nuclear Information System (INIS)

    Lawrence Livermore National Laboratory (LLNL) is currently investigating a new method for obtaining absolute calibration factors for radiation measurement systems used to measure internally deposited radionuclides in vivo. Absolute calibration of in vivo measurement systems will eliminate the need to generate a series of human surrogate structures (i.e., phantoms) for calibrating in vivo measurement systems. The absolute calibration of in vivo measurement systems utilizes magnetic resonance imaging (MRI) to define physiological structure, size, and composition. The MRI image provides a digitized representation of the physiological structure, which allows for any mathematical distribution of radionuclides within the body. Using Monte Carlo transport codes, the emission spectrum from the body is predicted. The in vivo measurement equipment is calibrated using the Monte Carlo code and adjusting for the intrinsic properties of the detection system. The calibration factors are verified using measurements of existing phantoms and previously obtained measurements of human volunteers. 8 refs

  3. Quantum theory allows for absolute maximal contextuality

    Science.gov (United States)

    Amaral, Barbara; Cunha, Marcelo Terra; Cabello, Adán

    2015-12-01

    Contextuality is a fundamental feature of quantum theory and a necessary resource for quantum computation and communication. It is therefore important to investigate how large contextuality can be in quantum theory. Linear contextuality witnesses can be expressed as a sum S of n probabilities, and the independence number α and the Tsirelson-like number ϑ of the corresponding exclusivity graph are, respectively, the maximum of S for noncontextual theories and for the theory under consideration. A theory allows for absolute maximal contextuality if it has scenarios in which ϑ /α approaches n . Here we show that quantum theory allows for absolute maximal contextuality despite what is suggested by the examination of the quantum violations of Bell and noncontextuality inequalities considered in the past. Our proof is not constructive and does not single out explicit scenarios. Nevertheless, we identify scenarios in which quantum theory allows for almost-absolute-maximal contextuality.

  4. Absolute photoacoustic thermometry in deep tissue.

    Science.gov (United States)

    Yao, Junjie; Ke, Haixin; Tai, Stephen; Zhou, Yong; Wang, Lihong V

    2013-12-15

    Photoacoustic thermography is a promising tool for temperature measurement in deep tissue. Here we propose an absolute temperature measurement method based on the dual temperature dependences of the Grüneisen parameter and the speed of sound in tissue. By taking ratiometric measurements at two adjacent temperatures, we can eliminate the factors that are temperature irrelevant but difficult to correct for in deep tissue. To validate our method, absolute temperatures of blood-filled tubes embedded ~9 mm deep in chicken tissue were measured in a biologically relevant range from 28°C to 46°C. The temperature measurement accuracy was ~0.6°C. The results suggest that our method can be potentially used for absolute temperature monitoring in deep tissue during thermotherapy.

  5. Entanglement entropy in particle decay

    CERN Document Server

    Lello, Louis; Holman, Richard

    2013-01-01

    The decay of a parent particle into two or more daughter particles results in an entangled quantum state, as a consequence of conservation laws in the decay process. We use the Wigner-Weisskopf formalism to construct an approximation to this state that evolves in time in a {\\em manifestly unitary} way. We then construct the entanglement entropy for one of the daughter particles by use of the reduced density matrix obtained by tracing out the unobserved states and follow its time evolution. We find that it grows over a time scale determined by the lifetime of the parent particle to a maximum, which when the width of the parent particle is narrow, describes the phase space distribution of maximally entangled Bell-like states.

  6. Area terms in entanglement entropy

    CERN Document Server

    Casini, Horacio; Lino, Eduardo Testé

    2014-01-01

    We discuss area terms in entanglement entropy and show that a recent formula by Rosenhaus and Smolkin is equivalent to the term involving a correlator of traces of the stress tensor in Adler-Zee formula for the renormalization of the Newton constant. We elaborate on how to fix the ambiguities in these formulas: Improving terms for the stress tensor of free fields, boundary terms in the modular Hamiltonian, and contact terms in the Euclidean correlation functions. We make computations for free fields and show how to apply these calculations to understand some results for interacting theories which have been studied in the literature. We also discuss an application to the F-theorem.

  7. Area terms in entanglement entropy

    Science.gov (United States)

    Casini, Horacio; Mazzitelli, F. D.; Testé, Eduardo

    2015-05-01

    We discuss area terms in entanglement entropy and show that a recent formula by Rosenhaus and Smolkin is equivalent to the term involving a correlator of traces of the stress tensor in the Adler-Zee formula for the renormalization of the Newton constant. We elaborate on how to fix the ambiguities in these formulas: Improving terms for the stress tensor of free fields, boundary terms in the modular Hamiltonian, and contact terms in the Euclidean correlation functions. We make computations for free fields and show how to apply these calculations to understand some results for interacting theories which have been studied in the literature. We also discuss an application to the F-theorem.

  8. Absolute Stability And Hyperstability In Hilbert Space

    Science.gov (United States)

    Wen, John Ting-Yung

    1989-01-01

    Theorems on stabilities of feedback control systems proved. Paper presents recent developments regarding theorems of absolute stability and hyperstability of feedforward-and-feedback control system. Theorems applied in analysis of nonlinear, adaptive, and robust control. Extended to provide sufficient conditions for stability in system including nonlinear feedback subsystem and linear time-invariant (LTI) feedforward subsystem, state space of which is Hilbert space, and input and output spaces having finite numbers of dimensions. (In case of absolute stability, feedback subsystem memoryless and possibly time varying. For hyperstability, feedback system dynamical system.)

  9. Absolute-Magnitude Distributions of Supernovae

    CERN Document Server

    Richardson, Dean; Wright, John; Maddox, Larry

    2014-01-01

    The absolute-magnitude distributions of seven supernova types are presented. The data used here were primarily taken from the Asiago Supernova Catalogue, but were supplemented with additional data. We accounted for both foreground and host-galaxy extinction. A bootstrap method is used to correct the samples for Malmquist bias. Separately, we generate volume-limited samples, restricted to events within 100 Mpc. We find that the superluminous events (M_B -15) make up about 3%. The normal Ia distribution was the brightest with a mean absolute blue magnitude of -19.25. The IIP distribution was the dimmest at -16.75.

  10. Precise Measurement of the Absolute Fluorescence Yield

    Science.gov (United States)

    Ave, M.; Bohacova, M.; Daumiller, K.; Di Carlo, P.; di Giulio, C.; San Luis, P. Facal; Gonzales, D.; Hojvat, C.; Hörandel, J. R.; Hrabovsky, M.; Iarlori, M.; Keilhauer, B.; Klages, H.; Kleifges, M.; Kuehn, F.; Monasor, M.; Nozka, L.; Palatka, M.; Petrera, S.; Privitera, P.; Ridky, J.; Rizi, V.; D'Orfeuil, B. Rouille; Salamida, F.; Schovanek, P.; Smida, R.; Spinka, H.; Ulrich, A.; Verzi, V.; Williams, C.

    2011-09-01

    We present preliminary results of the absolute yield of fluorescence emission in atmospheric gases. Measurements were performed at the Fermilab Test Beam Facility with a variety of beam particles and gases. Absolute calibration of the fluorescence yield to 5% level was achieved by comparison with two known light sources--the Cherenkov light emitted by the beam particles, and a calibrated nitrogen laser. The uncertainty of the energy scale of current Ultra-High Energy Cosmic Rays experiments will be significantly improved by the AIRFLY measurement.

  11. 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.

  12. 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.

  13. Polysoaps: Configurations and Elasticity

    Science.gov (United States)

    Halperin, A.

    1997-03-01

    Simple polymers are very long, flexible, linear molecules. Amphiphiles, soaps, are small molecules comprising of a part that prefers water over oil and a part that prefers oil over water. By combining the two we arrive at an interesting, little explored, class of materials: Polysoaps. These comprise of a water soluble backbone incorporating, at intervals, covalently bound amphiphilic monomers. In water, the polymerised amphiphiles aggregate into self assembled units known as micelles. This induces a dramatic modification of the spatial configurations of the polymers. What were featureless random coils now exhibit intramolecular, hierachial self organisation. Due to this self organisation it is necessary to modify the paradigms describing the large scale behaviour of these polymers: Their configurations, dimensions and elasticity. Understanding the behaviour of these polymers is of practical interest because of their wide range of industrial applications, ranging from cosmetics to paper coating. It is of fundamental interest because polysoaps are characterised by a rugged free energy landscape that is reminiscent of complex systems such as proteins and glasses. The talk concerns theoretical arguments regarding the following issues: (i) The design parameters that govern the spatial configurations of the polysoaps, (ii) The interaction between polysoaps and free amphiphiles, (iii) The effect of the intramolecular self organisation on the elasticity of the chains.

  14. Black hole entropy without brick walls

    Science.gov (United States)

    Demers, Jean-Guy; Lafrance, René; Myers, Robert C.

    1995-08-01

    We present evidence which confirms a suggestion by Susskind and Uglum regarding black hole entropy. Using a Pauli-Villars regulator, we find that 't Hooft's approach to evaluating black hole entropy through a statistical-mechanical counting of states for a scalar field propagating outside the event horizon yields precisely the one-loop renormalization of the standard Bekenstein-Hawking formula S=scrA/(4G). Our calculation also yields a constant contribution to the black hole entropy, a contribution associated with the one-loop renormalization of higher curvature terms in the gravitational action.

  15. Boundary Fluctuations and A Reduction Entropy

    CERN Document Server

    Herzog, Christopher

    2016-01-01

    The boundary Weyl anomalies live on a codimension-1 boundary, $\\partial {\\cal M}$. The entanglement entropy originates from infinite correlations on both sides of a codimension-2 surface, $\\Sigma$. Motivated to have a further understanding of the boundary effects, we introduce a notion of reduction entropy, which, guided by thermodynamics, is a combination of the boundary effective action and the boundary stress tensor defined by allowing the metric on $\\partial {\\cal M}$ to fluctuate. We discuss how a reduction might be performed so that the reduction entropy reproduces the entanglement structure.

  16. Black hole entropy in two dimensions

    CERN Document Server

    Myers, R C

    1994-01-01

    Black hole entropy is studied for an exactly solvable model of two-dimensional gravity\\cite{rst1}, using recently developed Noether charge techniques\\cite{wald1}. This latter approach is extended to accomodate the non-local form of the semiclassical effective action. In the two-dimensional model, the final black hole entropy can be expressed as a local quantity evaluated on the horizon. This entropy is shown to satisfy an increase theorem on either the global or apparent horizon of a two-dimensional black hole.

  17. Permutation Entropy for Random Binary Sequences

    Directory of Open Access Journals (Sweden)

    Lingfeng Liu

    2015-12-01

    Full Text Available In this paper, we generalize the permutation entropy (PE measure to binary sequences, which is based on Shannon’s entropy, and theoretically analyze this measure for random binary sequences. We deduce the theoretical value of PE for random binary sequences, which can be used to measure the randomness of binary sequences. We also reveal the relationship between this PE measure with other randomness measures, such as Shannon’s entropy and Lempel–Ziv complexity. The results show that PE is consistent with these two measures. Furthermore, we use PE as one of the randomness measures to evaluate the randomness of chaotic binary sequences.

  18. Interacting holographic dark energy with entropy corrections

    CERN Document Server

    Jamil, Mubasher

    2010-01-01

    The holographic dark energy (HDE) is considered to be the most promising candidate of dark energy. Its definition is originally motivated from the entropy-area relation which depends on the theory of gravity under consideration. Recently a new definition of HDE is proposed with the help of quantum corrections to the entropy-area relation in the setup of loop quantum cosmology. Using this new definition, we investigate the model of interacting dark energy and derive its effective equation of state. Finally we establish a correspondence between generalized Chaplygin gas and entropy-corrected holographic dark energy.

  19. Entropy viscosity method for nonlinear conservation laws

    KAUST Repository

    Guermond, Jean-Luc

    2011-05-01

    A new class of high-order numerical methods for approximating nonlinear conservation laws is described (entropy viscosity method). The novelty is that a nonlinear viscosity based on the local size of an entropy production is added to the numerical discretization at hand. This new approach does not use any flux or slope limiters, applies to equations or systems supplemented with one or more entropy inequalities and does not depend on the mesh type and polynomial approximation. Various benchmark problems are solved with finite elements, spectral elements and Fourier series to illustrate the capability of the proposed method. © 2010 Elsevier Inc.

  20. Component analysis of the protein hydration entropy

    Science.gov (United States)

    Chong, Song-Ho; Ham, Sihyun

    2012-05-01

    We report the development of an atomic decomposition method of the protein solvation entropy in water, which allows us to understand global change in the solvation entropy in terms of local changes in protein conformation as well as in hydration structure. This method can be implemented via a combined approach based on molecular dynamics simulation and integral-equation theory of liquids. An illustrative application is made to 42-residue amyloid-beta protein in water. We demonstrate how this method enables one to elucidate the molecular origin for the hydration entropy change upon conformational transitions of protein.

  1. Multiscale entropy analysis of electroseismic time series

    OpenAIRE

    L. Guzmán-Vargas; Ramírez-Rojas, A.; Angulo-Brown, F.

    2008-01-01

    In this work we use the multiscale entropy method to analyse the variability of geo-electric time series monitored in two sites located in Mexico. In our analysis we consider a period of time from January 1995 to December 1995. We systematically calculate the sample entropy of electroseismic time series. Important differences in the entropy profile for several time scales are observed in records from the same station. In particular, a complex behaviour is observed in the vicinity of a

  2. Bulk Entropy in Loop Quantum Gravity

    OpenAIRE

    Livine, Etera R; Terno, Daniel R.

    2007-01-01

    In the framework of loop quantum gravity (LQG), having quantum black holes in mind, we generalize the previous boundary state counting (gr-qc/0508085) to a full bulk state counting. After a suitable gauge fixing we are able to compute the bulk entropy of a bounded region (the "black hole") with fixed boundary. This allows us to study the relationship between the entropy and the boundary area in details and we identify a holographic regime of LQG where the leading order of the entropy scales w...

  3. Wald entropy formula and loop quantum gravity

    Science.gov (United States)

    Bodendorfer, N.; Neiman, Y.

    2014-10-01

    We outline how the Wald entropy formula naturally arises in loop quantum gravity based on recently introduced dimension-independent connection variables. The key observation is that in a loop quantization of a generalized gravity theory, the analog of the area operator turns out to measure, morally speaking, the Wald entropy rather than the area. We discuss the explicit example of (higher-dimensional) Lanczos-Lovelock gravity and comment on recent work on finding the correct numerical prefactor of the entropy by comparing it to a semiclassical effective action.

  4. Quantum information entropies of ultracold atomic gases in a harmonic trap

    Indian Academy of Sciences (India)

    Tutul Biswas; Tarun Kanti Ghosh

    2011-10-01

    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 containing atoms confined in a $D(≤ 3)$-dimensional harmonic trap has a universal form as $S^{(D)}_t = N(a D − b ln N)$, where ∼ 2.332 and = 2 for interacting bosonic systems and a ∼ 1.982 and = 1 for ideal fermionic systems. These results obey the entropic uncertainty relation given by Beckner, Bialynicki-Birula and Myceilski.

  5. Det demokratiske argument for absolut ytringsfrihed

    DEFF Research Database (Denmark)

    Lægaard, Sune

    2014-01-01

    Artiklen diskuterer den påstand, at absolut ytringsfrihed er en nødvendig forudsætning for demokratisk legitimitet med udgangspunkt i en rekonstruktion af et argument fremsat af Ronald Dworkin. Spørgsmålet er, hvorfor ytringsfrihed skulle være en forudsætning for demokratisk legitimitet, og hvorf...

  6. Time Function and Absolute Black Hole

    DEFF Research Database (Denmark)

    Javadi, Hossein; Forouzbakhsh, Farshid

    2006-01-01

    Einstein’s theory of gravity is not consistent with quantum mechanics, because general relativity cannot be quantized. [1] But without conversion of force and energy, it is impossible to find a grand unified theory. A very important result of CPH theory is time function that allows we give a new ...... description of absolute black hole and before the big bang....

  7. Teaching Absolute Value Inequalities to Mature Students

    Science.gov (United States)

    Sierpinska, Anna; Bobos, Georgeana; Pruncut, Andreea

    2011-01-01

    This paper gives an account of a teaching experiment on absolute value inequalities, whose aim was to identify characteristics of an approach that would realize the potential of the topic to develop theoretical thinking in students enrolled in prerequisite mathematics courses at a large, urban North American university. The potential is…

  8. ABSOLUTE MEASUREMENT OF THE GANIL BEAM ENERGY

    NARCIS (Netherlands)

    CASANDJIAN, JM; MITTIG, W; BEUNARD, R; GAUDARD, L; LEPINESZILY, A; VILLARI, ACC; AUGER, G; BIANCHI, L; CUNSOLO, A; FOTI, A; LICHTENTHALER, R; PLAGNOL, E; SCHUTZ, Y; SIEMSSEN, RH; WIELECZKO, JP

    1993-01-01

    The energy of the GANIL cyclotron beam was measured on-line during the Pb-208 + Pb-208 elastic scattering experiment ''Search for Color van der Waals Force in the Pb-208 + Pb-208 Mott scattering'' with an absolute precision of 7 x 10(-5) at approximately 1.0 GeV, which represents an improvement of o

  9. Stimulus Probability Effects in Absolute Identification

    Science.gov (United States)

    Kent, Christopher; Lamberts, Koen

    2016-01-01

    This study investigated the effect of stimulus presentation probability on accuracy and response times in an absolute identification task. Three schedules of presentation were used to investigate the interaction between presentation probability and stimulus position within the set. Data from individual participants indicated strong effects of…

  10. Solving Absolute Value Equations Algebraically and Geometrically

    Science.gov (United States)

    Shiyuan, Wei

    2005-01-01

    The way in which students can improve their comprehension by understanding the geometrical meaning of algebraic equations or solving algebraic equation geometrically is described. Students can experiment with the conditions of the absolute value equation presented, for an interesting way to form an overall understanding of the concept.

  11. Absolute-stability results in infinite dimensions

    NARCIS (Netherlands)

    Curtain, RF; Logemann, H; Staffans, O

    2004-01-01

    We derive absolute-stability results of Popov and circle-criterion type for infinite-dimensional systems in an input-output setting. Our results apply to feedback systems in which the linear part is the series interconnection of an input-output stable linear system and an integrator, and the nonline

  12. Magnetoresistive sensor for absolute position detection

    NARCIS (Netherlands)

    Groenland, J.P.J.

    1984-01-01

    A digital measurement principle for absolute position is decscribed. The position data is recorded serially into a single track of a hard-magnetic layer with the help of longitudinal saturation recording. Detection is possible by means of an array of sensor elements which can be made of a substrate.

  13. Thin-film magnetoresistive absolute position detector

    NARCIS (Netherlands)

    Groenland, Johannes Petrus Jacobus

    1990-01-01

    The subject of this thesis is the investigation of a digital absolute posi- tion-detection system, which is based on a position-information carrier (i.e. a magnetic tape) with one single code track on the one hand, and an array of magnetoresistive sensors for the detection of the informatio

  14. Magnetoresistive transducer for absolute position detection

    NARCIS (Netherlands)

    Groenland, J.P.J.

    1984-01-01

    In this paper a new method is presented for the measurement of absolute linear or angular position. The digital position information is recorded serially into one track of a suitable hard-magnetic medium. The stray field of this information layer determines the angular magnetisation distribution in

  15. Photochirogenesis: Photochemical models on the absolute asymmetric formation of amino acids in interstellar space

    DEFF Research Database (Denmark)

    Meinert, Cornelia; de Marcellus, Pierre; Le Sergeant d'Hendecourt, Louis;

    2011-01-01

    Proteins of all living organisms including plants, animals, and humans are made up of amino acid monomers that show identical stereochemical L-configuration. Hypotheses for the origin of this symmetry breaking in biomolecules include the absolute asymmetric photochemistry model by which interstel...... of how life’s precursor molecules were possibly built and how life selected the left-handed form of proteinogenic amino acids....

  16. Smooth R\\'enyi Entropy of Ergodic Quantum Information Sources

    OpenAIRE

    Schoenmakers, Berry; Tjoelker, Jilles; Tuyls, Pim; Verbitskiy, Evgeny

    2007-01-01

    We prove that the average smooth Renyi entropy rate will approach the entropy rate of a stationary, ergodic information source, which is equal to the Shannon entropy rate for a classical information source and the von Neumann entropy rate for a quantum information source.

  17. Exploration and Development of High Entropy Alloys for Structural Applications

    Directory of Open Access Journals (Sweden)

    Daniel B. Miracle

    2014-01-01

    Full Text Available We develop a strategy to design and evaluate high-entropy alloys (HEAs for structural use in the transportation and energy industries. We give HEA goal properties for low (≤150 °C, medium (≤450 °C and high (≥1,100 °C use temperatures. A systematic design approach uses palettes of elements chosen to meet target properties of each HEA family and gives methods to build HEAs from these palettes. We show that intermetallic phases are consistent with HEA definitions, and the strategy developed here includes both single-phase, solid solution HEAs and HEAs with intentional addition of a 2nd phase for particulate hardening. A thermodynamic estimate of the effectiveness of configurational entropy to suppress or delay compound formation is given. A 3-stage approach is given to systematically screen and evaluate a vast number of HEAs by integrating high-throughput computations and experiments. CALPHAD methods are used to predict phase equilibria, and high-throughput experiments on materials libraries with controlled composition and microstructure gradients are suggested. Much of this evaluation can be done now, but key components (materials libraries with microstructure gradients and high-throughput tensile testing are currently missing. Suggestions for future HEA efforts are given.

  18. A positivity property of the dimer entropy of graphs

    CERN Document Server

    Butera, P; Pernici, M

    2014-01-01

    The entropy of a monomer-dimer system on an infinite bipartite lattice can be written as a mean-field part plus a series expansion in the dimer density. In a previous paper it has been conjectured that all coefficients of this series are positive. Analogously on a connected regular graph with $v$ vertices, the "entropy" of the graph ${\\rm ln} N(i)/v$, where $N(i)$ is the number of ways of setting down $i$ dimers on the graph, can be written as a part depending only on the number of the dimer configurations over the completed graph plus a Newton series in the dimer density on the graph. In this paper, we investigate for which connected regular graphs all the coefficients of the Newton series are positive (for short, these graphs will be called positive). In the class of connected regular bipartite graphs, up to $v=20$, the only non positive graphs have vertices of degree $3$. From $v=14$ to $v=30$, the frequency of the positivity violations in the $3$-regular graphs decreases with increasing $v$. In the case o...

  19. The Friedmann equation in modified entropy-area relation from entropy force

    OpenAIRE

    Liu, Bin; Dai, Yun-Chuan; Hu, Xian-Ru; Deng, Jian-Bo

    2010-01-01

    According to the formal holographic principle, a modification to the assumption of holographic principle in Verlinder's investigation of entropy force is obtained. A more precise relation between entropy and area in the holographic system is proposed. With the entropy corrections to the area-relation, we derivate Newton's laws and Einstein equation with a static spherically symmetric holographic screen. Furthermore we derived the correction terms to the modified Friedmann equation of the FRW ...

  20. Black hole entropy, topological entropy and the Baum-Connes conjecture in K-theory

    International Nuclear Information System (INIS)

    We shall try to show a relation between black hole (BH) entropy and topological entropy using the famous Baum-Connes conjecture for foliated manifolds which are particular examples of noncommutative spaces. Our argument is qualitative and it is based on the microscopic origin of the Beckenstein-Hawking area-entropy formula for BHs, provided by superstring theory, in the more general noncommutative geometric context of M-theory following the approach of Connes-Douglas-Schwarz. (author)

  1. Black hole entropy, topological entropy and the Baum-Connes conjecture in K-theory

    Energy Technology Data Exchange (ETDEWEB)

    Zois, Ioannis P. [Mathematical Institute, Oxford University, Oxford (United Kingdom)]. E-mail: izois@maths.ox.ac.uk

    2002-03-29

    We shall try to show a relation between black hole (BH) entropy and topological entropy using the famous Baum-Connes conjecture for foliated manifolds which are particular examples of noncommutative spaces. Our argument is qualitative and it is based on the microscopic origin of the Beckenstein-Hawking area-entropy formula for BHs, provided by superstring theory, in the more general noncommutative geometric context of M-theory following the approach of Connes-Douglas-Schwarz. (author)

  2. Black Hole Entropy, Topological Entropy and the Baum-Connes Conjecture in K-Theory

    OpenAIRE

    Zois, Ioannis P.

    2001-01-01

    We shall try to exhibit a relation between black hole entropy and topological entropy using the famous Baum-Connes conjecture for foliated manifolds which are particular examples of noncommutative spaces. Our argument is qualitative and it is based on the microscopic origin of the Beckenstein-Hawking area-entropy formula for black holes, provided by superstring theory, in the more general noncommutative geometric context of M-Theory following the Connes- Douglas-Schwarz article.

  3. The holographic entropy increases in quadratic curvature gravity

    CERN Document Server

    Bhattacharjee, Srijit; Wall, Aron

    2015-01-01

    Standard methods for calculating the black hole entropy beyond general relativity are ambiguous when the horizon is non stationary. We fix these ambiguities in all quadratic curvature gravity theories, by demanding that the entropy be increasing at every time, for linear perturbations to a stationary black hole. Our result matches with the entropy formula found previously in holographic entanglement entropy calculations. We explicitly calculate the entropy increase for Vaidya-like solutions in Ricci-tensor gravity to show that (unlike the Wald entropy) the holographic entropy obeys a Second Law.

  4. Black hole entropy in the O(N) model

    CERN Document Server

    Kabat, D; Strassler, M J

    1995-01-01

    We consider corrections to the entropy of a black hole from an O(N) invariant linear \\s-model. We obtain the entropy from a 1/N expansion of the partition function on a cone. The entropy arises from diagrams which are analogous to those introduced by Susskind and Uglum to explain black hole entropy in string theory. The interpretation of the \\sm entropy depends on scale. At short distances, it has a state counting interpretation, as the entropy of entanglement of the N fields \\pa. In the infrared, the effective theory has a single composite field \\s \\sim \\pa \\pa, and the state counting interpretation of the entropy is lost.

  5. Primordial Trispectrum from Entropy Perturbations in Multifield DBI Model

    CERN Document Server

    Gao, Xian

    2009-01-01

    We compute the leading-order contributions to the trispectrum of primordial curvature perturbation from the entropic modes in multifield DBI inflationary models. We focus on the case from exchanging one mode. We investigate four-point functions for entropy fluctuations, in which four external entropic modes exchange one adiabatic mode. In the limit of small sound speed ($c_s\\ll1$) and large transfer coefficient ($T_{\\textrm{RS}}\\gg1$), our result shows that the nonlinear parameter $\\tau_{NL}$ is of order $T^{-2}_{RS}c^{-4}_s$ in the equilateral configuration. This result implies that trispectrum from exchanging one mode is approximately the same order as from direct four-point interaction in single-field models $c^{-4}_s$, but suppressed by the large transfer coefficient $T_{\\textrm{RS}}$.

  6. Equivalent Relation between Normalized Spatial Entropy and Fractal Dimension

    CERN Document Server

    Chen, Yanguang

    2016-01-01

    Fractal dimension is defined on the base of entropy, including macro state entropy and information entropy. The generalized dimension of multifractals is based on Renyi entropy. However, the mathematical transform from entropy to fractal dimension is not yet clear in both theory and practice. This paper is devoted to revealing the equivalence relation between spatial entropy and fractal dimension using box-counting method. Based on varied regular fractals, the numerical relationship between spatial entropy and fractal dimension is examined. The results show that the ratio of actual entropy (Mq) to the maximum entropy (Mmax) equals the ratio of actual dimension (Dq) to the maximum dimension (Dmax), that is, Mq/Mmax=Dq/Dmax. For real systems, the spatial entropy and fractal dimension of complex spatial systems such as cities can be converted into one another by means of functional box-counting method. The theoretical inference is verified by observational data of urban form. A conclusion is that normalized spat...

  7. Entropy production in a cell and reversal of entropy flow as an anticancer therapy

    Institute of Scientific and Technical Information of China (English)

    Liao-fu LUO

    2009-01-01

    The entropy production rate of cancer cells is always higher than healthy cells in the case where no external field is applied. Different entropy production between two kinds of cells determines the direction of entropy flow among cells. The entropy flow is the carrier of information flow. The entropy flow from cancerous cells to healthy cells takes along the harmful information of cancerous cells, propagating its toxic action to healthy tissues. We demonstrate that a low-frequency and low- intensity electromagnetic field or ultrasound irradiation may increase the entropy production rate of a cell in normal tissue than that in cancer and consequently re- verse the direction of entropy current between two kinds of cells. The modification of the PH value of cells may also cause the reversal of the direction of entropy flow between healthy and cancerous cells. Therefore, the bio- logical tissue under the irradiation of an electromagnetic field or ultrasound or under the appropriate change of cell acidity can avoid the propagation of harmful infor- marion from cancer cells. We suggest that this entropy mechanism possibly provides a basis for a novel approach to anticancer therapy.

  8. Logarithmic Black Hole Entropy Corrections and Holographic R\\'enyi Entropy

    CERN Document Server

    Mahapatra, Subhash

    2016-01-01

    The entanglement and R\\'{e}nyi 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 horizon area. With the corrected black hole entropy expression, we then find corrections to the R\\'{e}nyi entropies. We calculate these corrections for both Einstein as well as Gauss-Bonnet gravity duals. Corrections with logarithmic dependence on the area of the entangling surface naturally occur at the order $G_{D}^0$ and it seems to be a general feature of entanglement and R\\'{e}nyi entropies for CFTs with gravity duals. In particular, there is...

  9. Densities and entropies in cellular automata

    CERN Document Server

    Guillon, Pierre

    2012-01-01

    Following work by Hochman and Meyerovitch on multidimensional SFT, we give computability-theoretic characterizations of the real numbers that can appear as the topological entropies of one-dimensional and two-dimensional cellular automata.

  10. Phase transitions and entropies for synchronizing oscillators.

    Science.gov (United States)

    Bier, Martin; Lisowski, Bartosz; Gudowska-Nowak, Ewa

    2016-01-01

    We study a generic model of coupled oscillators. In the model there is competition between phase synchronization and diffusive effects. For a model with a finite number of states we derive how a phase transition occurs when the coupling parameter is varied. The phase transition is characterized by a symmetry breaking and a discontinuity in the first derivative of the order parameter. We quantitatively account for how the synchronized pulse is a low-entropy structure that facilitates the production of more entropy by the system as a whole. For a model with many states we apply a continuum approximation and derive a potential Burgers' equation for a propagating pulse. No phase transition occurs in that case. However, positive entropy production by diffusive effects still exceeds negative entropy production by the shock formation. PMID:26871059

  11. Entropy of Vaidya-deSitter Spacetime

    Institute of Scientific and Technical Information of China (English)

    LI Xiang; ZHAO Zheng

    2001-01-01

    As a statistical model of black hole entropy, the brick-wall method based on the thermal equilibrium in a large scale cannot be applied to the cases out of equilibrium, such as the non-static hole or the case with two horizons.However, the leading term of hole entropy called the Bekenstein-Hawking entropy comes from the contribution of the field near the horizon. According to this idea, the entropy of Vaidya-deSitter spacetime is calculated. A difference from the static case is that the result proportional to the area of horizon relies on a time-dependent cut-off. The condition of local equilibrium near the horizon is used as a working postulate.

  12. Probabilistic solution of relative entropy weighted control

    CERN Document Server

    Bierkens, Joris

    2012-01-01

    We show that stochastic control problems with a particular cost structure involving a relative entropy term admit a purely probabilistic solution, without the necessity of applying the dynamic programming principle. The argument is as follows. Minimization of the expectation of a random variable with respect to the underlying probability measure, penalized by relative entropy, may be solved exactly. In the case where the randomness is generated by a standard Brownian motion, this exact solution can be written as a Girsanov density. The stochastic process appearing in the Girsanov exponent has the role of control process, and the relative entropy of the change of probability measure is equal to the integral of the square of this process. An explicit expression for the control process may be obtained in terms of the Malliavin derivative of the density process. The theory is applied to the problem of minimizing the maximum of a Brownian motion (penalized by the relative entropy), leading to an explicit expressio...

  13. Scaling Behavior of Black Hole Entropy

    CERN Document Server

    Schimmrigk, R

    2000-01-01

    It is shown that the entropy of fourdimensional black holes in string theory compactified on weighted Calabi-Yau hypersurfaces shows scaling behavior in a certain limit. This leads to non-monotonic functions on the moduli space.

  14. Relevant Perturbation of Entanglement Entropy and Stationarity

    CERN Document Server

    Nishioka, Tatsuma

    2014-01-01

    A relevant perturbation of the entanglement entropy of a sphere is examined holographically near the UV fixed point. Varying the conformal dimension of the relevant operator, we obtain three different sectors: 1) the entanglement entropy is stationary and the perturbative expansion is well-defined with respect to the relevant coupling, 2) the entropy is stationary, but the perturbation fails, 3) the entropy is neither stationary nor perturbative. We compare our holographic results with the numerical calculation for a free massive scalar field in three-dimensions, and find a qualitative agreement between them. We argue that these statements hold for any relevant perturbation in any quantum field theory invariant under the Poincare symmetry.

  15. Zero modes and divergence of entanglement entropy

    CERN Document Server

    Mallayya, Krishnanand; Shankaranarayanan, S; Padmanabhan, T

    2014-01-01

    We investigate the cause of the divergence of the entanglement entropy for the free scalar fields in $(1+1)$ and $(D + 1)$ dimensional space-times. In a canonically equivalent set of variables, we show explicitly that the divergence in the entanglement entropy in $(1 + 1)-$ dimensions is due to the accumulation of large number of near-zero frequency modes as opposed to the commonly held view of divergence having UV origin. The feature revealing the divergence in zero modes is related to the observation that the entropy is invariant under a hidden scaling transformation even when the Hamiltonian is not. We discuss the role of dispersion relations and the dimensionality of the space-time on the behavior of entanglement entropy.

  16. Entropy current for non-relativistic fluid

    CERN Document Server

    Banerjee, Nabamita; Jain, Akash; Roychowdhury, Dibakar

    2014-01-01

    We study transport properties of a parity-odd, non-relativistic charged fluid in presence of background electric and magnetic fields. To obtain stress tensor and charged current for the non-relativistic system we start with the most generic relativistic fluid, living in one higher dimension and reduce the constituent equations along the light-cone direction. We also reduce the equation satisfied by the entropy current of the relativistic theory and obtain a consistent entropy current for the non-relativistic system (we call it "canonical form" of the entropy current). Demanding that the non-relativistic fluid satisfies the second law of thermodynamics we impose constraints on various first order transport coefficients. For parity even fluid, this is straight forward; it tells us positive definiteness of different transport coefficients like viscosity, thermal conductivity, electric conductivity etc. However for parity-odd fluid, canonical form of the entropy current fails to confirm the second law of thermody...

  17. Source extension based on ε-entropy

    Institute of Scientific and Technical Information of China (English)

    ZHANG Jian; YU Sheng-sheng; ZHOU Jing-li; ZHENG Xin-wei

    2005-01-01

    It is known by entropy theory that image is a source correlated with a certain characteristic of probability. The entropy rate of the source and ? entropy (rate-distortion function theory) are the information content to identify the characteristics of video images, and hence are essentially related with video image compression. They are fundamental theories of great significance to image compression, though impossible to be directly turned into a compression method. Based on the entropy theory and the image compression theory, by the application of the rate-distortion feature mathematical model and Lagrange multipliers to some theoretical problems in the H.264 standard, this paper presents a new the algorithm model of coding rate-distortion. This model is introduced into complete test on the capability of the test model of JM61e (JUT Test Model). The result shows that the speed of coding increases without significant reduction of the rate-distortion performance of the coder.

  18. Quantum dynamical entropy and decoherence rate

    Energy Technology Data Exchange (ETDEWEB)

    Alicki, Robert [Institute of Theoretical Physics and Astrophysics, University of Gdansk, ul. Wita Stwosza 57, PL 80-952 Gdansk (Poland); Lozinski, Artur [Institute of Physics, Jagiellonian University, ul. Reymonta 4, 30-059 Cracow (Poland); Pakonski, Prot [Institute of Physics, Jagiellonian University, ul. Reymonta 4, 30-059 Cracow (Poland); Zyczkowski, Karol [Institute of Physics, Jagiellonian University, ul. Reymonta 4, 30-059 Krakow (Poland)

    2004-05-14

    We investigate quantum dynamical systems defined on a finite-dimensional Hilbert space and subjected to an interaction with an environment. The rate of decoherence of initially pure states, measured by the increase of their von Neumann entropy, averaged over an ensemble of random pure states, is proved to be bounded from above by the partial entropy used to define the ALF-dynamical entropy. The rate of decoherence induced by the sequence of the von Neumann projectors measurements is shown to be maximal, if the measurements are performed in a randomly chosen basis. The numerically observed linear increase of entropies is attributed to free independence of the measured observable and the unitary dynamical map.

  19. Quantum dynamical entropy and decoherence rate

    CERN Document Server

    Alicki, R; Pakonski, P; Zyczkowski, K; Alicki, Robert; Lozinski, Artur; Pakonski, Prot; Zyczkowski, Karol

    2004-01-01

    We investigate quantum dynamical systems defined on a finite dimensional Hilbert space and subjected to an interaction with an environment. The rate of decoherence of initially pure states, measured by the increase of their von Neumann entropy, averaged over an ensemble of random pure states, is proved to be bounded from above by the partial entropy used to define the ALF dynamical entropy. The rate of decoherence induced by the sequence of the von Neumann projectors measurements is shown to be maximal, if the measurements are performed in a randomly chosen basis. The numerically observed linear increase of entropies is attributed to free-independence of the measured observable and the unitary dynamical map.

  20. Multiscale entropy analysis of electroseismic time series

    Directory of Open Access Journals (Sweden)

    L. Guzmán-Vargas

    2008-08-01

    Full Text Available In this work we use the multiscale entropy method to analyse the variability of geo-electric time series monitored in two sites located in Mexico. In our analysis we consider a period of time from January 1995 to December 1995. We systematically calculate the sample entropy of electroseismic time series. Important differences in the entropy profile for several time scales are observed in records from the same station. In particular, a complex behaviour is observed in the vicinity of a M=7.4 EQ occurred on 14 September 1995. Besides, we also compare the changes in the entropy of the original data with their corresponding shuffled version.