The Role of Shape Complementarity in the Protein-Protein Interactions

NASA Astrophysics Data System (ADS)

Li, Ye; Zhang, Xianren; Cao, Dapeng

2013-11-01

We use a dissipative particle dynamic simulation to investigate the effects of shape complementarity on the protein-protein interactions. By monitoring different kinds of protein shape-complementarity modes, we gave a clear mechanism to reveal the role of the shape complementarity in the protein-protein interactions, i.e., when the two proteins with shape complementarity approach each other, the conformation of lipid chains between two proteins would be restricted significantly. The lipid molecules tend to leave the gap formed by two proteins to maximize the configuration entropy, and therefore yield an effective entropy-induced protein-protein attraction, which enhances the protein aggregation. In short, this work provides an insight into understanding the importance of the shape complementarity in the protein-protein interactions especially for protein aggregation and antibody-antigen complexes. Definitely, the shape complementarity is the third key factor affecting protein aggregation and complex, besides the electrostatic-complementarity and hydrophobic complementarity.

LensEnt2: Maximum-entropy weak lens reconstruction

NASA Astrophysics Data System (ADS)

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

2013-08-01

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

Thermodynamic Properties of a Double Ring-Shaped Quantum Dot at Low and High Temperatures

NASA Astrophysics Data System (ADS)

Khordad, R.; Sedehi, H. R. Rastegar

2018-02-01

In this work, we study thermodynamic properties of a GaAs double ring-shaped quantum dot under external magnetic and electric fields. To this end, we first solve the Schrödinger equation and obtain the energy levels and wave functions, analytically. Then, we calculate the entropy, heat capacity, average energy and magnetic susceptibility of the quantum dot in the presence of a magnetic field using the canonical ensemble approach. According to the results, it is found that the entropy is an increasing function of temperature. At low temperatures, the entropy increases monotonically with raising the temperature for all values of the magnetic fields and it is independent of the magnetic field. But, the entropy depends on the magnetic field at high temperatures. The entropy also decreases with increasing the magnetic field. The heat capacity and magnetic susceptibility show a peak structure. The heat capacity reduces with increasing the magnetic field at low temperatures. The magnetic susceptibility shows a transition between diamagnetic and paramagnetic below for T<4 K. The transition temperature depends on the magnetic field.

Entropy of space-time outcome in a movement speed-accuracy task.

PubMed

Hsieh, Tsung-Yu; Pacheco, Matheus Maia; Newell, Karl M

2015-12-01

The experiment reported was set-up to investigate the space-time entropy of movement outcome as a function of a range of spatial (10, 20 and 30 cm) and temporal (250-2500 ms) criteria in a discrete aiming task. The variability and information entropy of the movement spatial and temporal errors considered separately increased and decreased on the respective dimension as a function of an increment of movement velocity. However, the joint space-time entropy was lowest when the relative contribution of spatial and temporal task criteria was comparable (i.e., mid-range of space-time constraints), and it increased with a greater trade-off between spatial or temporal task demands, revealing a U-shaped function across space-time task criteria. The traditional speed-accuracy functions of spatial error and temporal error considered independently mapped to this joint space-time U-shaped entropy function. The trade-off in movement tasks with joint space-time criteria is between spatial error and timing error, rather than movement speed and accuracy. Copyright © 2015 Elsevier B.V. All rights reserved.

On the shape of things: From holography to elastica

NASA Astrophysics Data System (ADS)

Fonda, Piermarco; Jejjala, Vishnu; Veliz-Osorio, Alvaro

2017-10-01

We explore the question of which shape a manifold is compelled to take when immersed in another one, provided it must be the extremum of some functional. We consider a family of functionals which depend quadratically on the extrinsic curvatures and on projections of the ambient curvatures. These functionals capture a number of physical setups ranging from holography to the study of membranes and elastica. We present a detailed derivation of the equations of motion, known as the shape equations, placing particular emphasis on the issue of gauge freedom in the choice of normal frame. We apply these equations to the particular case of holographic entanglement entropy for higher curvature three dimensional gravity and find new classes of entangling curves. In particular, we discuss the case of New Massive Gravity where we show that non-geodesic entangling curves have always a smaller on-shell value of the entropy functional. Then we apply this formalism to the computation of the entanglement entropy for dual logarithmic CFTs. Nevertheless, the correct value for the entanglement entropy is provided by geodesics. Then, we discuss the importance of these equations in the context of classical elastica and comment on terms that break gauge invariance.

Quantifying and minimizing entropy generation in AMTEC cells

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

Hendricks, T.J.; Huang, C.

1997-12-31

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

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

Sattari, Sulimon, E-mail: ssattari2@ucmerced.edu; Chen, Qianting, E-mail: qchen2@ucmerced.edu; Mitchell, Kevin A., E-mail: kmitchell@ucmerced.edu

Topological approaches to mixing are important tools to understand chaotic fluid flows, ranging from oceanic transport to the design of micro-mixers. Typically, topological entropy, the exponential growth rate of material lines, is used to quantify topological mixing. Computing topological entropy from the direct stretching rate is computationally expensive and sheds little light on the source of the mixing. Earlier approaches emphasized that topological entropy could be viewed as generated by the braiding of virtual, or “ghost,” rods stirring the fluid in a periodic manner. Here, we demonstrate that topological entropy can also be viewed as generated by the braiding ofmore » ghost rods following heteroclinic orbits instead. We use the machinery of homotopic lobe dynamics, which extracts symbolic dynamics from finite-length pieces of stable and unstable manifolds attached to fixed points of the fluid flow. As an example, we focus on the topological entropy of a bounded, chaotic, two-dimensional, double-vortex cavity flow. Over a certain parameter range, the topological entropy is primarily due to the braiding of a period-three orbit. However, this orbit does not explain the topological entropy for parameter values where it does not exist, nor does it explain the excess of topological entropy for the entire range of its existence. We show that braiding by heteroclinic orbits provides an accurate computation of topological entropy when the period-three orbit does not exist, and that it provides an explanation for some of the excess topological entropy when the period-three orbit does exist. Furthermore, the computation of symbolic dynamics using heteroclinic orbits has been automated and can be used to compute topological entropy for a general 2D fluid flow.« less

Shape Dependence of Holographic Rényi Entropy in Conformal Field Theories

NASA Astrophysics Data System (ADS)

Dong, Xi

2016-06-01

We develop a framework for studying the well-known universal term in the Rényi entropy for an arbitrary entangling region in four-dimensional conformal field theories that are holographically dual to gravitational theories. The shape dependence of the Rényi entropy Sn is described by two coefficients: fb(n ) for traceless extrinsic curvature deformations and fc(n ) for Weyl tensor deformations. We provide the first calculation of the coefficient fb(n ) in interacting theories by relating it to the stress tensor one-point function in a deformed hyperboloid background. The latter is then determined by a straightforward holographic calculation. Our results show that a previous conjecture fb(n )=fc(n ), motivated by surprising evidence from a variety of free field theories and studies of conical defects, fails holographically.

Entropy-based financial asset pricing.

PubMed

Ormos, Mihály; Zibriczky, Dávid

2014-01-01

We investigate entropy as a financial risk measure. Entropy explains the equity premium of securities and portfolios in a simpler way and, at the same time, with higher explanatory power than the beta parameter of the capital asset pricing model. For asset pricing we define the continuous entropy as an alternative measure of risk. Our results show that entropy decreases in the function of the number of securities involved in a portfolio in a similar way to the standard deviation, and that efficient portfolios are situated on a hyperbola in the expected return-entropy system. For empirical investigation we use daily returns of 150 randomly selected securities for a period of 27 years. Our regression results show that entropy has a higher explanatory power for the expected return than the capital asset pricing model beta. Furthermore we show the time varying behavior of the beta along with entropy.

Entropy-Based Financial Asset Pricing

PubMed Central

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. PMID:25545668

Entropy Generation Across Earth's Bow Shock

NASA Technical Reports Server (NTRS)

Parks, George K.; McCarthy, Michael; Fu, Suiyan; Lee E. s; Cao, Jinbin; Goldstein, Melvyn L.; Canu, Patrick; Dandouras, Iannis S.; Reme, Henri; Fazakerley, Andrew;

Entropy, pricing and macroeconomics of pumped-storage systems

NASA Astrophysics Data System (ADS)

Karakatsanis, Georgios; Mamassis, Nikos; Koutsoyiannis, Demetris; Efstratiadis, Andreas

2014-05-01

We propose a pricing scheme for the enhancement of macroeconomic performance of pumped-storage systems, based on the statistical properties of both geophysical and economic variables. The main argument consists in the need of a context of economic values concerning the hub energy resource; defined as the resource that comprises the reference energy currency for all involved renewable energy sources (RES) and discounts all related uncertainty. In the case of pumped-storage systems the hub resource is the reservoir's water, as a benchmark for all connected intermittent RES. The uncertainty of all involved natural and economic processes is statistically quantifiable by entropy. It is the relation between the entropies of all involved RES that shapes the macroeconomic state of the integrated pumped-storage system. Consequently, there must be consideration on the entropy of wind, solar and precipitation patterns, as well as on the entropy of economic processes -such as demand preferences on either current energy use or storage for future availability. For pumped-storage macroeconomics, a price on the reservoir's capacity scarcity should also be imposed in order to shape a pricing field with upper and lower limits for the long-term stability of the pricing range and positive net energy benefits, which is the primary issue of the generalized deployment of pumped-storage technology. Keywords: Entropy, uncertainty, pricing, hub energy resource, RES, energy storage, capacity scarcity, macroeconomics

Measurement of Renyi Entropies in Multiparticle Production: a Do-List II

NASA Astrophysics Data System (ADS)

Bialas, A.; Czyz, W.; Zalewski, K.

2006-09-01

Recently suggested method of measuring Renyi entropies of multiparticle systems produced in high-energy collisions is presented in the form of a ``do-list'', explaining explicitely how to perform the measurement and suggesting improvements in the treatment of the data.

Branch length similarity entropy-based descriptors for shape representation

NASA Astrophysics Data System (ADS)

Kwon, Ohsung; Lee, Sang-Hee

2017-11-01

In previous studies, we showed that the branch length similarity (BLS) entropy profile could be successfully used for the shape recognition such as battle tanks, facial expressions, and butterflies. In the present study, we proposed new descriptors, roundness, symmetry, and surface roughness, for the recognition, which are more accurate and fast in the computation than the previous descriptors. The roundness represents how closely a shape resembles to a circle, the symmetry characterizes how much one shape is similar with another when the shape is moved in flip, and the surface roughness quantifies the degree of vertical deviations of a shape boundary. To evaluate the performance of the descriptors, we used the database of leaf images with 12 species. Each species consisted of 10 - 20 leaf images and the total number of images were 160. The evaluation showed that the new descriptors successfully discriminated the leaf species. We believe that the descriptors can be a useful tool in the field of pattern recognition.

Apparent diffusion coefficient histogram shape analysis for monitoring early response in patients with advanced cervical cancers undergoing concurrent chemo-radiotherapy.

PubMed

Meng, Jie; Zhu, Lijing; Zhu, Li; Wang, Huanhuan; Liu, Song; Yan, Jing; Liu, Baorui; Guan, Yue; Ge, Yun; He, Jian; Zhou, Zhengyang; Yang, Xiaofeng

2016-10-22

To explore the role of apparent diffusion coefficient (ADC) histogram shape related parameters in early assessment of treatment response during the concurrent chemo-radiotherapy (CCRT) course of advanced cervical cancers. This prospective study was approved by the local ethics committee and informed consent was obtained from all patients. Thirty-two patients with advanced cervical squamous cell carcinomas underwent diffusion weighted magnetic resonance imaging (b values, 0 and 800 s/mm 2 ) before CCRT, at the end of 2nd and 4th week during CCRT and immediately after CCRT completion. Whole lesion ADC histogram analysis generated several histogram shape related parameters including skewness, kurtosis, s-sD av , width, standard deviation, as well as first-order entropy and second-order entropies. The averaged ADC histograms of 32 patients were generated to visually observe dynamic changes of the histogram shape following CCRT. All parameters except width and standard deviation showed significant changes during CCRT (all P < 0.05), and their variation trends fell into four different patterns. Skewness and kurtosis both showed high early decline rate (43.10 %, 48.29 %) at the end of 2nd week of CCRT. All entropies kept decreasing significantly since 2 weeks after CCRT initiated. The shape of averaged ADC histogram also changed obviously following CCRT. ADC histogram shape analysis held the potential in monitoring early tumor response in patients with advanced cervical cancers undergoing CCRT.

Shape Dependence of Holographic Rényi Entropy in Conformal Field Theories.

PubMed

Dong, Xi

2016-06-24

We develop a framework for studying the well-known universal term in the Rényi entropy for an arbitrary entangling region in four-dimensional conformal field theories that are holographically dual to gravitational theories. The shape dependence of the Rényi entropy S_{n} is described by two coefficients: f_{b}(n) for traceless extrinsic curvature deformations and f_{c}(n) for Weyl tensor deformations. We provide the first calculation of the coefficient f_{b}(n) in interacting theories by relating it to the stress tensor one-point function in a deformed hyperboloid background. The latter is then determined by a straightforward holographic calculation. Our results show that a previous conjecture f_{b}(n)=f_{c}(n), motivated by surprising evidence from a variety of free field theories and studies of conical defects, fails holographically.

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

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

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

Entropy of the Bose-Einstein-condensate ground state: Correlation versus ground-state entropy

NASA Astrophysics Data System (ADS)

Kim, Moochan B.; Svidzinsky, Anatoly; Agarwal, Girish S.; Scully, Marlan O.

2018-01-01

Calculation of the entropy of an ideal Bose-Einstein condensate (BEC) in a three-dimensional trap reveals unusual, previously unrecognized, features of the canonical ensemble. It is found that, for any temperature, the entropy of the Bose gas is equal to the entropy of the excited particles although the entropy of the particles in the ground state is nonzero. We explain this by considering the correlations between the ground-state particles and particles in the excited states. These correlations lead to a correlation entropy which is exactly equal to the contribution from the ground state. The correlations themselves arise from the fact that we have a fixed number of particles obeying quantum statistics. We present results for correlation functions between the ground and excited states in a Bose gas, so as to clarify the role of fluctuations in the system. We also report the sub-Poissonian nature of the ground-state fluctuations.

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

DOE PAGES

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

2017-08-18

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

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

PubMed

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

2017-08-18

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

Entropy of Mixing of Distinguishable Particles

ERIC Educational Resources Information Center

Kozliak, Evguenii I.

2014-01-01

The molar entropy of mixing yields values that depend only on the number of mixing components rather than on their chemical nature. To explain this phenomenon using the logic of chemistry, this article considers mixing of distinguishable particles, thus complementing the well-known approach developed for nondistinguishable particles, for example,…

Explanation to the difference in the ketyl radical formation yields of benzophenone and benzil

NASA Astrophysics Data System (ADS)

Okutsu, Tetsuo; Muramatsu, Hidenori; Horiuchi, Hiroaki; Hiratsuka, Hiroshi

2005-03-01

p Ka values of benzophenone ketyl and benzil ketyl radicals were determined as 9.4 and 12.4, respectively. We can successfully explain the difference in quantum yield of the proton transfer between benzophenone ketyl and benzil ketyl radicals by these values. Reaction enthalpies of the proton transfer are the same (-80 kJ mol -1) for these radicals, and the difference in p Ka value can be explained by that reaction entropies. Reaction entropies between two radicals are discussed by the possible structure of the radicals.

Entropy of adsorption of mixed surfactants from solutions onto the air/water interface

USGS Publications Warehouse

Chen, L.-W.; Chen, J.-H.; Zhou, N.-F.

1995-01-01

The partial molar entropy change for mixed surfactant molecules adsorbed from solution at the air/water interface has been investigated by surface thermodynamics based upon the experimental surface tension isotherms at various temperatures. Results for different surfactant mixtures of sodium dodecyl sulfate and sodium tetradecyl sulfate, decylpyridinium chloride and sodium alkylsulfonates have shown that the partial molar entropy changes for adsorption of the mixed surfactants were generally negative and decreased with increasing adsorption to a minimum near the maximum adsorption and then increased abruptly. The entropy decrease can be explained by the adsorption-orientation of surfactant molecules in the adsorbed monolayer and the abrupt entropy increase at the maximum adsorption is possible due to the strong repulsion between the adsorbed molecules.

Allostery: Absence of a change in shape does not imply that allostery is not at play

PubMed Central

Tsai, Chung-Jung; Sol, Antonio del; Nussinov, Ruth

2009-01-01

Allostery is essential for controlled catalysis, signal transmission, receptor trafficking, turning genes on and off, and apoptosis. It governs the organism’s response to environmental and metabolic cues, dictating transient partner interactions in the cellular network. Textbooks taught us that allostery is a change of shape at one site on the protein surface brought about by ligand binding to another. For already several years it has been broadly accepted that the change of shape is not induced; rather, it is observed simply because a larger protein population presents it. Current data indicate that while side-chains can reorient and rewire, allostery may not even involve a change of (backbone) shape. Assuming that the enthalpy change does not reverse the free energy change due to the change in entropy, entropy is mainly responsible for binding. PMID:18353365

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

Faulkner, Thomas; Leigh, Robert G.; Parrikar, Onkar

Here, we study universal features in the shape dependence of entanglement entropy in the vacuum state of a conformal field theory (CFT) on R 1,d--1. We consider the entanglement entropy across a deformed planar or spherical entangling surface in terms of a perturbative expansion in the infinitesimal shape deformation. In particular, we focus on the second order term in this expansion, known as the entanglement density. This quantity is known to be non-positive by the strong-subadditivity property. We also show from a purely field theory calculation that the non-local part of the entanglement density in any CFT is universal, andmore » proportional to the coefficient C T appearing in the two-point function of stress tensors in that CFT. As applications of our result, we prove the conjectured universality of the corner term coefficient σ/CT=π 2/24 in d = 3 CFTs, and the holographic Mezei formula for entanglement entropy across deformed spheres.« less

Analysis of natural convection in nanofluid-filled H-shaped cavity by entropy generation and heatline visualization using lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Rahimi, Alireza; Sepehr, Mohammad; Lariche, Milad Janghorban; Mesbah, Mohammad; Kasaeipoor, Abbas; Malekshah, Emad Hasani

2018-03-01

The lattice Boltzmann simulation of natural convection in H-shaped cavity filled with nanofluid is performed. The entropy generation analysis and heatline visualization are employed to analyze the considered problem comprehensively. The produced nanofluid is SiO2-TiO2/Water-EG (60:40) hybrid nanofluid, and the thermal conductivity and dynamic viscosity of used nanofluid are measured experimentally. To use the experimental data of thermal conductivity and dynamic viscosity, two sets of correlations based on temperature for six different solid volume fractions of 0.5, 1, 1.5, 2, 2.5 and 3 vol% are derived. The influences of different governing parameters such different aspect ratio, solid volume fractions of nanofluid and Rayleigh numbers on the fluid flow, temperature filed, average/local Nusselt number, total/local entropy generation and heatlines are presented.

Rényi entropies characterizing the shape and the extension of the phase space representation of quantum wave functions in disordered systems.

PubMed

Varga, Imre; Pipek, János

2003-08-01

We discuss some properties of the generalized entropies, called Rényi entropies, and their application to the case of continuous distributions. In particular, it is shown that these measures of complexity can be divergent; however, their differences are free from these divergences, thus enabling them to be good candidates for the description of the extension and the shape of continuous distributions. We apply this formalism to the projection of wave functions onto the coherent state basis, i.e., to the Husimi representation. We also show how the localization properties of the Husimi distribution on average can be reconstructed from its marginal distributions that are calculated in position and momentum space in the case when the phase space has no structure, i.e., no classical limit can be defined. Numerical simulations on a one-dimensional disordered system corroborate our expectations.

A simple model of entropy relaxation for explaining effective activation energy behavior below the glass transition temperature.

PubMed

Bisquert, Juan; Henn, François; Giuntini, Jean-Charles

2005-03-01

Strong changes in relaxation rates observed at the glass transition region are frequently explained in terms of a physical singularity of the molecular motions. We show that the unexpected trends and values for activation energy and preexponential factor of the relaxation time tau, obtained at the glass transition from the analysis of the thermally stimulated current signal, result from the use of the Arrhenius law for treating the experimental data obtained in nonstationary experimental conditions. We then demonstrate that a simple model of structural relaxation based on a time dependent configurational entropy and Adam-Gibbs relaxation time is sufficient to explain the experimental behavior, without invoking a kinetic singularity at the glass transition region. The pronounced variation of the effective activation energy appears as a dynamic signature of entropy relaxation that governs the change of relaxation time in nonstationary conditions. A connection is demonstrated between the peak of apparent activation energy measured in nonequilibrium dielectric techniques, with the overshoot of the dynamic specific heat that is obtained in calorimetry techniques.

Entropy from State Probabilities: Hydration Entropy of Cations

PubMed Central

2013-01-01

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

Entropy generation in biophysical systems

NASA Astrophysics Data System (ADS)

Lucia, U.; Maino, G.

2013-03-01

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

Fusion of disubstituted benzenes.

PubMed

Martin, E; Yalkowsky, S H; Wells, J E

1979-05-01

The entropy of fusion of 84 disubstituted benzenes was essentially constant and independent of the participation of the compounds in intramolecular or intermolecular hydrogen bonding. It was also independent of the shapes, sizes, and dipole moments of the rigid molecules studied. While the entropy of fusion was independent of these parameters, the melting point and the heat of fusion showed a direct dependence on molecular properties.

Understanding the Thermodynamic Properties of the Elastocaloric Effect Through Experimentation and Modelling

NASA Astrophysics Data System (ADS)

Tušek, Jaka; Engelbrecht, Kurt; Mañosa, Lluis; Vives, Eduard; Pryds, Nini

2016-12-01

This paper presents direct and indirect methods for studying the elastocaloric effect (eCE) in shape memory materials and its comparison. The eCE can be characterized by the adiabatic temperature change or the isothermal entropy change (both as a function of applied stress/strain). To get these quantities, the evaluation of the eCE can be done using either direct methods, where one measures (adiabatic) temperature changes or indirect methods where one can measure the stress-strain-temperature characteristics of the materials and from these deduce the adiabatic temperature and isothermal entropy changes. The former can be done using the basic thermodynamic relations, i.e. Maxwell relation and Clausius-Clapeyron equation. This paper further presents basic thermodynamic properties of shape memory materials, such as the adiabatic temperature change, isothermal entropy change and total entropy-temperature diagrams (all as a function of temperature and applied stress/strain) of two groups of materials (Ni-Ti and Cu-Zn-Al alloys) obtained using indirect methods through phenomenological modelling and Maxwell relation. In the last part of the paper, the basic definition of the efficiency of the elastocaloric thermodynamic cycle (coefficient of performance) is defined and discussed.

All the entropies on the light-cone

NASA Astrophysics Data System (ADS)

Casini, Horacio; Testé, Eduardo; Torroba, Gonzalo

2018-05-01

We determine the explicit universal form of the entanglement and Renyi entropies, for regions with arbitrary boundary on a null plane or the light-cone. All the entropies are shown to saturate the strong subadditive inequality. This Renyi Markov property implies that the vacuum behaves like a product state. For the null plane, our analysis applies to general quantum field theories, and we show that the entropies do not depend on the region. For the light-cone, our approach is restricted to conformal field theories. In this case, the construction of the entropies is related to dilaton effective actions in two less dimensions. In particular, the universal logarithmic term in the entanglement entropy arises from a Wess-Zumino anomaly action. We also consider these properties in theories with holographic duals, for which we construct the minimal area surfaces for arbitrary shapes on the light-cone. We recover the Markov property and the universal form of the entropy, and argue that these properties continue to hold upon including stringy and quantum corrections. We end with some remarks on the recently proved entropic a-theorem in four spacetime dimensions.

Entanglement entropy of electromagnetic edge modes.

PubMed

Donnelly, William; Wall, Aron C

2015-03-20

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

Shape dependence of two-cylinder Rényi entropies for free bosons on a lattice

NASA Astrophysics Data System (ADS)

Chojnacki, Leilee; Cook, Caleb Q.; Dalidovich, Denis; Hayward Sierens, Lauren E.; Lantagne-Hurtubise, Étienne; Melko, Roger G.; Vlaar, Tiffany J.

2016-10-01

Universal scaling terms occurring in Rényi entanglement entropies have the potential to bring new understanding to quantum critical points in free and interacting systems. Quantitative comparisons between analytical continuum theories and numerical calculations on lattice models play a crucial role in advancing such studies. In this paper, we exactly calculate the universal two-cylinder shape dependence of entanglement entropies for free bosons on finite-size square lattices, and compare to approximate functions derived in the continuum using several different Ansätze. Although none of these Ansätze are exact in the thermodynamic limit, we find that numerical fits are in good agreement with continuum functions derived using the anti-de Sitter/conformal field theory correspondence, an extensive mutual information model, and a quantum Lifshitz model. We use fits of our lattice data to these functions to calculate universal scalars defined in the thin-cylinder limit, and compare to values previously obtained for the free boson field theory in the continuum.

A Two-Dimensional Liquid Structure Explains the Elevated Melting Temperatures of Gallium Nanoclusters.

PubMed

Steenbergen, Krista G; Gaston, Nicola

2016-01-13

Melting in finite-sized materials differs in two ways from the solid-liquid phase transition in bulk systems. First, there is an inherent scaling of the melting temperature below that of the bulk, known as melting point depression. Second, at small sizes changes in melting temperature become nonmonotonic and show a size-dependence that is sensitive to the structure of the particle. Melting temperatures that exceed those of the bulk material have been shown to occur for a very limited range of nanoclusters, including gallium, but have still never been ascribed a convincing physical explanation. Here, we analyze the structure of the liquid phase in gallium clusters based on molecular dynamics simulations that reproduce the greater-than-bulk melting behavior observed in experiments. We observe persistent nonspherical shape distortion indicating a stabilization of the surface, which invalidates the paradigm of melting point depression. This shape distortion suggests that the surface acts as a constraint on the liquid state that lowers its entropy relative to that of the bulk liquid and thus raises the melting temperature.

Maximization of the connectivity repertoire as a statistical principle governing the shapes of dendritic arbors

PubMed Central

Wen, Quan; Stepanyants, Armen; Elston, Guy N.; Grosberg, Alexander Y.; Chklovskii, Dmitri B.

2009-01-01

The shapes of dendritic arbors are fascinating and important, yet the principles underlying these complex and diverse structures remain unclear. Here, we analyzed basal dendritic arbors of 2,171 pyramidal neurons sampled from mammalian brains and discovered 3 statistical properties: the dendritic arbor size scales with the total dendritic length, the spatial correlation of dendritic branches within an arbor has a universal functional form, and small parts of an arbor are self-similar. We proposed that these properties result from maximizing the repertoire of possible connectivity patterns between dendrites and surrounding axons while keeping the cost of dendrites low. We solved this optimization problem by drawing an analogy with maximization of the entropy for a given energy in statistical physics. The solution is consistent with the above observations and predicts scaling relations that can be tested experimentally. In addition, our theory explains why dendritic branches of pyramidal cells are distributed more sparsely than those of Purkinje cells. Our results represent a step toward a unifying view of the relationship between neuronal morphology and function. PMID:19622738

Entropy in bimolecular simulations: A comprehensive review of atomic fluctuations-based methods.

PubMed

Kassem, Summer; Ahmed, Marawan; El-Sheikh, Salah; Barakat, Khaled H

2015-11-01

Entropy of binding constitutes a major, and in many cases a detrimental, component of the binding affinity in biomolecular interactions. While the enthalpic part of the binding free energy is easier to calculate, estimating the entropy of binding is further more complicated. A precise evaluation of entropy requires a comprehensive exploration of the complete phase space of the interacting entities. As this task is extremely hard to accomplish in the context of conventional molecular simulations, calculating entropy has involved many approximations. Most of these golden standard methods focused on developing a reliable estimation of the conformational part of the entropy. Here, we review these methods with a particular emphasis on the different techniques that extract entropy from atomic fluctuations. The theoretical formalisms behind each method is explained highlighting its strengths as well as its limitations, followed by a description of a number of case studies for each method. We hope that this brief, yet comprehensive, review provides a useful tool to understand these methods and realize the practical issues that may arise in such calculations. Copyright © 2015 Elsevier Inc. All rights reserved.

Shape dependence of holographic Rényi entropy in general dimensions

DOE PAGES

Bianchi, Lorenzo; Chapman, Shira; Dong, Xi; ...

2016-11-29

We present a holographic method for computing the response of Rényi entropies in conformal field theories to small shape deformations around a flat (or spherical) entangling surface. Our strategy employs the stress tensor one-point function in a deformed hyperboloid background and relates it to the coefficient in the two-point function of the displacement operator. We obtain explicit numerical results for d = 3, · · · , 6 spacetime dimensions, and also evaluate analytically the limits where the Rényi index approaches 1 and 0 in general dimensions. We use our results to extend the work of 1602.08493 and disprove amore » set of conjectures in the literature regarding the relation between the Rényi shape dependence and the conformal weight of the twist operator. As a result, we also extend our analysis beyond leading order in derivatives in the bulk theory by studying Gauss-Bonnet gravity.« less

Is the hypothesis about a low entropy initial state of the Universe necessary for explaining the arrow of time?

NASA Astrophysics Data System (ADS)

Goldstein, Sheldon; Tumulka, Roderich; Zanghı, Nino

2016-07-01

According to statistical mechanics, microstates of an isolated physical system (say, a gas in a box) at time t0 in a given macrostate of less-than-maximal entropy typically evolve in such a way that the entropy at time t increases with |t -t0| in both time directions. In order to account for the observed entropy increase in only one time direction, the thermodynamic arrow of time, one usually appeals to the hypothesis that the initial state of the Universe was one of very low entropy. In certain recent models of cosmology, however, no hypothesis about the initial state of the Universe is invoked. We discuss how the emergence of a thermodynamic arrow of time in such models can nevertheless be compatible with the above-mentioned consequence of statistical mechanics, appearances to the contrary notwithstanding.

DNA entropy reveals a significant difference in complexity between housekeeping and tissue specific gene promoters.

PubMed

Thomas, David; Finan, Chris; Newport, Melanie J; Jones, Susan

2015-10-01

The complexity of DNA can be quantified using estimates of entropy. Variation in DNA complexity is expected between the promoters of genes with different transcriptional mechanisms; namely housekeeping (HK) and tissue specific (TS). The former are transcribed constitutively to maintain general cellular functions, and the latter are transcribed in restricted tissue and cells types for specific molecular events. It is known that promoter features in the human genome are related to tissue specificity, but this has been difficult to quantify on a genomic scale. If entropy effectively quantifies DNA complexity, calculating the entropies of HK and TS gene promoters as profiles may reveal significant differences. Entropy profiles were calculated for a total dataset of 12,003 human gene promoters and for 501 housekeeping (HK) and 587 tissue specific (TS) human gene promoters. The mean profiles show the TS promoters have a significantly lower entropy (p<2.2e-16) than HK gene promoters. The entropy distributions for the 3 datasets show that promoter entropies could be used to identify novel HK genes. Functional features comprise DNA sequence patterns that are non-random and hence they have lower entropies. The lower entropy of TS gene promoters can be explained by a higher density of positive and negative regulatory elements, required for genes with complex spatial and temporary expression. Copyright © 2015 Elsevier Ltd. All rights reserved.

Systematic study of aggregation structure and thermal behavior of a series of unique H-shape alkane molecules.

PubMed

Yamamoto, Hiroko; Tashiro, Kohji; Nemoto, Norio; Motoyama, Yukihiro; Takahashi, Yoshiaki

2011-08-11

The H-shape alkanes of various arm lengths have been synthesized successfully through the Grignard reaction. The detailed investigation of these novel compounds may allow us to widen the topological chemistry field furthermore. The molecular form and molecular packing structure in the crystal lattice have been revealed successfully on the basis of X-ray structure analysis as well as the analysis of Raman longitudinal acoustic modes (LAM) sensitive to the alkyl zigzag chain segments. The molecular conformation in the crystal lattice is deformed markedly from the originally imagined H-shape. In the cases of C3HOH to C6HOH, for example, the molecules are packed in a complicated manner and the OH···O hydrogen bonds govern the whole intermolecular interactions mainly. Since the alkyl segmental length is not very long, the conformational change is not very drastic, i.e., the small configurational entropy. Synergic effect of the hydrogen bonds and the small configurational entropy gives the higher melting point as known from the thermal data. On the other hand, in the cases of C10HOH and C12HOH, one of the long alkyl chain arms is found to be bent by 90° so that all of the alky chain segments of planar-zigzag conformation can be packed as closely as possible, and the intermolecular OH···O hydrogen bonds are also formed effectively without any mistake. As a result, the contribution of nonbonded intra- and intermolecular van der Waals interactions between the trans-zigzag alkyl chain segments become major, and the coupling of this enthalpy effect with the larger configurational entropy effect of the molecular shape results in the decrement of the melting point which approaches gradually that of longer n-alkane compound. In this way a sensitive balance between the nonbonded van der Waals interactions, the OH···O hydrogen bonds, as well as the configurational entropy effect gives the characteristic thermal behavior of the H-shape compounds. The thus-newly synthesized H-shape alkane compounds should give us new insight into the packing topology of complicated molecules, leading to the development of new functionality unexpected for normal linear alkane compounds. © 2011 American Chemical Society

Investigation of Heat and Mass Transfer and Irreversibility Phenomena Within a Three-Dimensional Tilted Enclosure for Different Shapes

NASA Astrophysics Data System (ADS)

Oueslati, F.; Ben-Beya, B.

2018-01-01

Three-dimensional thermosolutal natural convection and entropy generation within an inclined enclosure is investigated in the current study. A numerical method based on the finite volume method and a full multigrid technique is implemented to solve the governing equations. Effects of various parameters, namely, the aspect ratio, buoyancy ratio, and tilt angle on the flow patterns and entropy generation are predicted and discussed.

Minimum relative entropy distributions with a large mean are Gaussian

NASA Astrophysics Data System (ADS)

Smerlak, Matteo

2016-12-01

Entropy optimization principles are versatile tools with wide-ranging applications from statistical physics to engineering to ecology. Here we consider the following constrained problem: Given a prior probability distribution q , find the posterior distribution p minimizing the relative entropy (also known as the Kullback-Leibler divergence) with respect to q under the constraint that mean (p ) is fixed and large. We show that solutions to this problem are approximately Gaussian. We discuss two applications of this result. In the context of dissipative dynamics, the equilibrium distribution of a Brownian particle confined in a strong external field is independent of the shape of the confining potential. We also derive an H -type theorem for evolutionary dynamics: The entropy of the (standardized) distribution of fitness of a population evolving under natural selection is eventually increasing in time.

Entropy Growth in the Early Universe and Confirmation of Initial Big Bang Conditions

NASA Astrophysics Data System (ADS)

Beckwith, Andrew

2009-09-01

This paper shows how increased entropy values from an initially low big bang level can be measured experimentally by counting relic gravitons. Furthermore the physical mechanism of this entropy increase is explained via analogies with early-universe phase transitions. The role of Jack Ng's (2007, 2008a, 2008b) revised infinite quantum statistics in the physics of gravitational wave detection is acknowledged. Ng's infinite quantum statistics can be used to show that ΔS~ΔNgravitons is a startmg point to the increasing net universe cosmological entropy. Finally, in a nod to similarities AS ZPE analysis, it is important to note that the resulting ΔS~ΔNgravitons ≠ 1088, that in fact it is much lower, allowing for evaluating initial graviton production as an emergent field phenomena, which may be similar to how ZPE states can be used to extract energy from a vacuum if entropy is not maximized. The rapid increase in entropy so alluded to without near sudden increases to 1088 may be enough to allow successful modeling of relic graviton production for entropy in a manner similar to ZPE energy extraction from a vacuum state.

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

NASA Astrophysics Data System (ADS)

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

2018-06-01

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

High-quality lossy compression: current and future trends

NASA Astrophysics Data System (ADS)

McLaughlin, Steven W.

1995-01-01

This paper is concerned with current and future trends in the lossy compression of real sources such as imagery, video, speech and music. We put all lossy compression schemes into common framework where each can be characterized in terms of three well-defined advantages: cell shape, region shape and memory advantages. We concentrate on image compression and discuss how new entropy constrained trellis-based compressors achieve cell- shape, region-shape and memory gain resulting in high fidelity and high compression.

Music viewed by its entropy content: A novel window for comparative analysis.

PubMed

Febres, Gerardo; Jaffe, Klaus

2017-01-01

Polyphonic music files were analyzed using the set of symbols that produced the Minimal Entropy Description, which we call the Fundamental Scale. This allowed us to create a novel space to represent music pieces by developing: (a) a method to adjust a textual description from its original scale of observation to an arbitrarily selected scale, (b) a method to model the structure of any textual description based on the shape of the symbol frequency profiles, and (c) the concept of higher order entropy as the entropy associated with the deviations of a frequency-ranked symbol profile from a perfect Zipfian profile. We call this diversity index the '2nd Order Entropy'. Applying these methods to a variety of musical pieces showed how the space of 'symbolic specific diversity-entropy' and that of '2nd order entropy' captures characteristics that are unique to each music type, style, composer and genre. Some clustering of these properties around each musical category is shown. These methods allow us to visualize a historic trajectory of academic music across this space, from medieval to contemporary academic music. We show that the description of musical structures using entropy, symbol frequency profiles and specific symbolic diversity allows us to characterize traditional and popular expressions of music. These classification techniques promise to be useful in other disciplines for pattern recognition and machine learning.

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

PubMed

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

2012-04-05

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

Information entropy method and the description of echo hologram formation in gaseous media

NASA Astrophysics Data System (ADS)

Garnaeva, G. I.; Nefediev, L. A.; Akhmedshina, E. N.

2018-02-01

The effect of collisions with a change in velocity of gas particles, on the value of information entropy, is associated with the spectral structure of the echo hologram’s response, where its temporal form is considered. It is shown that collisions with a change in gas particle velocity increase the ‘parasitical’ information, on the background of which the information contained in the temporary shape of the object laser pulse is lost.

Generating Multivariate Ordinal Data via Entropy Principles.

PubMed

Lee, Yen; Kaplan, David

2018-03-01

When conducting robustness research where the focus of attention is on the impact of non-normality, the marginal skewness and kurtosis are often used to set the degree of non-normality. Monte Carlo methods are commonly applied to conduct this type of research by simulating data from distributions with skewness and kurtosis constrained to pre-specified values. Although several procedures have been proposed to simulate data from distributions with these constraints, no corresponding procedures have been applied for discrete distributions. In this paper, we present two procedures based on the principles of maximum entropy and minimum cross-entropy to estimate the multivariate observed ordinal distributions with constraints on skewness and kurtosis. For these procedures, the correlation matrix of the observed variables is not specified but depends on the relationships between the latent response variables. With the estimated distributions, researchers can study robustness not only focusing on the levels of non-normality but also on the variations in the distribution shapes. A simulation study demonstrates that these procedures yield excellent agreement between specified parameters and those of estimated distributions. A robustness study concerning the effect of distribution shape in the context of confirmatory factor analysis shows that shape can affect the robust [Formula: see text] and robust fit indices, especially when the sample size is small, the data are severely non-normal, and the fitted model is complex.

Logarithmic entropy of Kehagias-Sfetsos black hole with self-gravitation in asymptotically flat IR modified Hořava gravity

NASA Astrophysics Data System (ADS)

Liu, Molin; Lu, Junwang

2011-05-01

Motivated by recent logarithmic entropy of Hořava-Lifshitz gravity, we investigate Hawking radiation for Kehagias-Sfetsos black hole from tunneling perspective. After considering the effect of self-gravitation, we calculate the emission rate and entropy of quantum tunneling by using Kraus-Parikh-Wilczek method. Meanwhile, both massless and massive particles are considered in this Letter. Interestingly, two types tunneling particles have the same emission rate Γ and entropy Sb whose analytical formulae are Γ=exp[π(rin2-rout2)/2+π/αln rin/rout] and Sb=A/4+π/αln(A/4), respectively. Here, α is the Hořava-Lifshitz field parameter. The results show that the logarithmic entropy of Hořava-Lifshitz gravity could be explained well by the self-gravitation, which is totally different from other methods. The study of this semiclassical tunneling process may shed light on understanding the Hořava-Lifshitz gravity.

Entanglement entropy of 2D conformal quantum critical points: hearing the shape of a quantum drum.

PubMed

Fradkin, Eduardo; Moore, Joel E

2006-08-04

The entanglement entropy of a pure quantum state of a bipartite system A union or logical sumB is defined as the von Neumann entropy of the reduced density matrix obtained by tracing over one of the two parts. In one dimension, the entanglement of critical ground states diverges logarithmically in the subsystem size, with a universal coefficient that for conformally invariant critical points is related to the central charge of the conformal field theory. We find that the entanglement entropy of a standard class of z=2 conformal quantum critical points in two spatial dimensions, in addition to a nonuniversal "area law" contribution linear in the size of the AB boundary, generically has a universal logarithmically divergent correction, which is completely determined by the geometry of the partition and by the central charge of the field theory that describes the critical wave function.

Higher Curvature Gravity from Entanglement in Conformal Field Theories.

PubMed

Haehl, Felix M; Hijano, Eliot; Parrikar, Onkar; Rabideau, Charles

2018-05-18

By generalizing different recent works to the context of higher curvature gravity, we provide a unifying framework for three related results: (i) If an asymptotically anti-de Sitter (AdS) spacetime computes the entanglement entropies of ball-shaped regions in a conformal field theory using a generalized Ryu-Takayanagi formula up to second order in state deformations around the vacuum, then the spacetime satisfies the correct gravitational equations of motion up to second order around the AdS background. (ii) The holographic dual of entanglement entropy in higher curvature theories of gravity is given by the Wald entropy plus a particular correction term involving extrinsic curvatures. (iii) Conformal field theory relative entropy is dual to gravitational canonical energy (also in higher curvature theories of gravity). Especially for the second point, our novel derivation of this previously known statement does not involve the Euclidean replica trick.

Higher Curvature Gravity from Entanglement in Conformal Field Theories

NASA Astrophysics Data System (ADS)

Haehl, Felix M.; Hijano, Eliot; Parrikar, Onkar; Rabideau, Charles

2018-05-01

By generalizing different recent works to the context of higher curvature gravity, we provide a unifying framework for three related results: (i) If an asymptotically anti-de Sitter (AdS) spacetime computes the entanglement entropies of ball-shaped regions in a conformal field theory using a generalized Ryu-Takayanagi formula up to second order in state deformations around the vacuum, then the spacetime satisfies the correct gravitational equations of motion up to second order around the AdS background. (ii) The holographic dual of entanglement entropy in higher curvature theories of gravity is given by the Wald entropy plus a particular correction term involving extrinsic curvatures. (iii) Conformal field theory relative entropy is dual to gravitational canonical energy (also in higher curvature theories of gravity). Especially for the second point, our novel derivation of this previously known statement does not involve the Euclidean replica trick.

Entropy production of a Brownian ellipsoid in the overdamped limit.

PubMed

Marino, Raffaele; Eichhorn, Ralf; Aurell, Erik

2016-01-01

We analyze the translational and rotational motion of an ellipsoidal Brownian particle from the viewpoint of stochastic thermodynamics. The particle's Brownian motion is driven by external forces and torques and takes place in an heterogeneous thermal environment where friction coefficients and (local) temperature depend on space and time. Our analysis of the particle's stochastic thermodynamics is based on the entropy production associated with single particle trajectories. It is motivated by the recent discovery that the overdamped limit of vanishing inertia effects (as compared to viscous fricion) produces a so-called "anomalous" contribution to the entropy production, which has no counterpart in the overdamped approximation, when inertia effects are simply discarded. Here we show that rotational Brownian motion in the overdamped limit generates an additional contribution to the "anomalous" entropy. We calculate its specific form by performing a systematic singular perturbation analysis for the generating function of the entropy production. As a side result, we also obtain the (well-known) equations of motion in the overdamped limit. We furthermore investigate the effects of particle shape and give explicit expressions of the "anomalous entropy" for prolate and oblate spheroids and for near-spherical Brownian particles.

Spatiotemporal Dependency of Age-Related Changes in Brain Signal Variability

PubMed Central

McIntosh, A. R.; Vakorin, V.; Kovacevic, N.; Wang, H.; Diaconescu, A.; Protzner, A. B.

2014-01-01

Recent theoretical and empirical work has focused on the variability of network dynamics in maturation. Such variability seems to reflect the spontaneous formation and dissolution of different functional networks. We sought to extend these observations into healthy aging. Two different data sets, one EEG (total n = 48, ages 18–72) and one magnetoencephalography (n = 31, ages 20–75) were analyzed for such spatiotemporal dependency using multiscale entropy (MSE) from regional brain sources. In both data sets, the changes in MSE were timescale dependent, with higher entropy at fine scales and lower at more coarse scales with greater age. The signals were parsed further into local entropy, related to information processed within a regional source, and distributed entropy (information shared between two sources, i.e., functional connectivity). Local entropy increased for most regions, whereas the dominant change in distributed entropy was age-related reductions across hemispheres. These data further the understanding of changes in brain signal variability across the lifespan, suggesting an inverted U-shaped curve, but with an important qualifier. Unlike earlier in maturation, where the changes are more widespread, changes in adulthood show strong spatiotemporal dependence. PMID:23395850

Information thermodynamics of near-equilibrium computation

NASA Astrophysics Data System (ADS)

Prokopenko, Mikhail; Einav, Itai

2015-06-01

In studying fundamental physical limits and properties of computational processes, one is faced with the challenges of interpreting primitive information-processing functions through well-defined information-theoretic as well as thermodynamic quantities. In particular, transfer entropy, characterizing the function of computational transmission and its predictability, is known to peak near critical regimes. We focus on a thermodynamic interpretation of transfer entropy aiming to explain the underlying critical behavior by associating information flows intrinsic to computational transmission with particular physical fluxes. Specifically, in isothermal systems near thermodynamic equilibrium, the gradient of the average transfer entropy is shown to be dynamically related to Fisher information and the curvature of system's entropy. This relationship explicitly connects the predictability, sensitivity, and uncertainty of computational processes intrinsic to complex systems and allows us to consider thermodynamic interpretations of several important extreme cases and trade-offs.

Sign reversal of transformation entropy change in Co{sub 2}Cr(Ga,Si) shape memory alloys

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

Xu, Xiao, E-mail: xu@material.tohoku.ac.jp; Omori, Toshihiro; Kainuma, Ryosuke

2015-11-02

In situ X-ray diffraction (XRD) measurements and compression tests were performed on Co{sub 2}Cr(Ga,Si) shape memory alloys. The reentrant martensitic transformation behavior was directly observed during the in situ XRD measurements. The high-temperature parent phase and low-temperature reentrant parent phase were found to have a continuous temperature dependence of lattice parameter, therefore suggesting that they are the same phase in nature. Moreover, compression tests were performed on a parent-phase single crystal sample; an evolution from normal to inverse temperature dependence of critical stress for martensitic transformation was directly observed. Based on the Clausius-Clapeyron analysis, a sign reversal of entropy changemore » can be expected on the same alloy.« less

Diffusion of innovations dynamics, biological growth and catenary function

NASA Astrophysics Data System (ADS)

Guseo, Renato

2016-12-01

The catenary function has a well-known role in determining the shape of chains and cables supported at their ends under the force of gravity. This enables design using a specific static equilibrium over space. Its reflected version, the catenary arch, allows the construction of bridges and arches exploiting the dual equilibrium property under uniform compression. In this paper, we emphasize a further connection with well-known aggregate biological growth models over time and the related diffusion of innovation key paradigms (e.g., logistic and Bass distributions over time) that determine self-sustaining evolutionary growth dynamics in naturalistic and socio-economic contexts. Moreover, we prove that the 'local entropy function', related to a logistic distribution, is a catenary and vice versa. This special invariance may be explained, at a deeper level, through the Verlinde's conjecture on the origin of gravity as an effect of the entropic force.

Application of an Entropic Approach to Assessing Systems Integration

DTIC Science & Technology

2012-03-01

two econometrical measures of information efficiency – Shannon entropy and Hurst exponent . Shannon entropy (which is explained in Chapter III) can be...applied to evaluate long-term correlation of time series, while Hurst exponent can be applied to classify the time series in accordance to existence...of trend. Hurst exponent is the statistical measure of time series long-range dependence, and its value falls in the interval [0, 1] – a value in

A proposed methodology for studying the historical trajectory of words' meaning through Tsallis entropy

NASA Astrophysics Data System (ADS)

Neuman, Yair; Cohen, Yochai; Israeli, Navot; Tamir, Boaz

2018-02-01

The availability of historical textual corpora has led to the study of words' frequency along the historical time line, as representing the public's focus of attention over time. However, studying of the dynamics of words' meaning is still in its infancy. In this paper, we propose a methodology for studying the historical trajectory of words' meaning through Tsallis entropy. First, we present the idea that the meaning of a word may be studied through the entropy of its embedding. Using two historical case studies, we show that this entropy measure is correlated with the intensity in which a word is used. More importantly, we show that using Tsallis entropy with a superadditive entropy index may provide a better estimation of a word's frequency of use than using Shannon entropy. We explain this finding as resulting from an increasing redundancy between the words that comprise the semantic field of the target word and develop a new measure of redundancy between words. Using this measure, which relies on the Tsallis version of the Kullback-Leibler divergence, we show that the evolving meaning of a word involves the dynamics of increasing redundancy between components of its semantic field. The proposed methodology may enrich the toolkit of researchers who study the dynamics of word senses.

Calculation of heat transfer on shuttle type configurations including the effects of variable entropy at boundary layer edge

NASA Technical Reports Server (NTRS)

Dejarnette, F. R.

1972-01-01

A relatively simple method is presented for including the effect of variable entropy at the boundary-layer edge in a heat transfer method developed previously. For each inviscid surface streamline an approximate shockwave shape is calculated using a modified form of Maslen's method for inviscid axisymmetric flows. The entropy for the streamline at the edge of the boundary layer is determined by equating the mass flux through the shock wave to that inside the boundary layer. Approximations used in this technique allow the heating rates along each inviscid surface streamline to be calculated independent of the other streamlines. The shock standoff distances computed by the present method are found to compare well with those computed by Maslen's asymmetric method. Heating rates are presented for blunted circular and elliptical cones and a typical space shuttle orbiter at angles of attack. Variable entropy effects are found to increase heating rates downstream of the nose significantly higher than those computed using normal-shock entropy, and turbulent heating rates increased more than laminar rates. Effects of Reynolds number and angles of attack are also shown.

Entropy analysis of frequency and shape change in horseshoe bat biosonar

NASA Astrophysics Data System (ADS)

Gupta, Anupam K.; Webster, Dane; Müller, Rolf

2018-06-01

Echolocating bats use ultrasonic pulses to collect information about their environments. Some of this information is encoded at the baffle structures—noseleaves (emission) and pinnae (reception)—that act as interfaces between the bats' biosonar systems and the external world. The baffle beam patterns encode the direction-dependent sensory information as a function of frequency and hence represent a view of the environment. To generate diverse views of the environment, the bats can vary beam patterns by changes to (1) the wavelengths of the pulses or (2) the baffle geometries. Here we compare the variability in sensory information encoded by just the use of frequency or baffle shape dynamics in horseshoe bats. For this, we use digital and physical prototypes of both noseleaf and pinnae. The beam patterns for all prototypes were either measured or numerically predicted. Entropy was used as a measure to compare variability as a measure of sensory information encoding capacity. It was found that new information was acquired as a result of shape dynamics. Furthermore, the overall variability available for information encoding was similar in the case of frequency or shape dynamics. Thus, shape dynamics allows the horseshoe bats to generate diverse views of the environment in the absence of broadband biosonar signals.

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

PubMed

Cofré, R; Cessac, B

2014-05-01

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

Wess-Zumino consistency condition for entanglement entropy.

PubMed

Banerjee, Shamik

2012-07-06

In this Letter, we consider the variation of the entanglement entropy of a region as the shape of the entangling surface is changed. We show that the variation satisfies a Wess-Zumino-like integrability condition in field theories which can be consistently coupled to gravity. In this case, the "anomaly" is localized on the entangling surface. The solution of the integrability condition should give all the nontrivial finite local terms which can appear in the variation of the entanglement entropy. The answers depend on the intrinsic and extrinsic geometry of the entangling surface, but the form does not depend on the details of the field theory. The coefficients, which multiply the purely geometric contributions, will depend on the particular details of the field theory.

Some calculable contributions to entanglement entropy.

PubMed

Hertzberg, Mark P; Wilczek, Frank

2011-02-04

Entanglement entropy appears as a central property of quantum systems in broad areas of physics. However, its precise value is often sensitive to unknown microphysics, rendering it incalculable. By considering parametric dependence on correlation length, we extract finite, calculable contributions to the entanglement entropy for a scalar field between the interior and exterior of a spatial domain of arbitrary shape. The leading term is proportional to the area of the dividing boundary; we also extract finite subleading contributions for a field defined in the bulk interior of a waveguide in 3+1 dimensions, including terms proportional to the waveguide's cross-sectional geometry: its area, perimeter length, and integrated curvature. We also consider related quantities at criticality and suggest a class of systems for which these contributions might be measurable.

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

PubMed Central

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

2012-01-01

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

Brane - Anti-Brane Democracy

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

Rajaraman, Arvind

2003-06-02

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

Large reversible magnetocaloric effect in a Ni-Co-Mn-In magnetic shape memory alloy

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

Huang, L.; Cong, D. Y.; Ma, L.

Reversibility of the magnetocaloric effect in materials with first-order magnetostructural transformation is of vital significance for practical magnetic refrigeration applications. Here, we report a large reversible magnetocaloric effect in a Ni49.8Co1.2Mn33.5In15.5 magnetic shape memory alloy. A large reversible magnetic entropy change of 14.6 J/(kg K) and a broad operating temperature window of 18 K under 5 T were simultaneously achieved, correlated with the low thermal hysteresis (-8 K) and large magnetic-field-induced shift of transformation temperatures (4.9 K/T) that lead to a narrow magnetic hysteresis (1.1 T) and small average magnetic hysteresis loss (48.4 J/kg under 5 T) as well. Furthermore,more » a large reversible effective refrigeration capacity (76.6 J/kg under 5 T) was obtained, as a result of the large reversible magnetic entropy change, broad operating temperature window, and small magnetic hysteresis loss. The large reversible magnetic entropy change and large reversible effective refrigeration capacity are important for improving the magnetocaloric performance, and the small magnetic hysteresis loss is beneficial to reducing energy dissipation during magnetic field cycle in potential applications.« less

Cattaneo-Christov based study of {TiO}_2 -CuO/EG Casson hybrid nanofluid flow over a stretching surface with entropy generation

NASA Astrophysics Data System (ADS)

Jamshed, Wasim; Aziz, Asim

2018-06-01

In the present research, a simplified mathematical model is presented to study the heat transfer and entropy generation analysis of thermal system containing hybrid nanofluid. Nanofluid occupies the space over an infinite horizontal surface and the flow is induced by the non-linear stretching of surface. A uniform transverse magnetic field, Cattaneo-Christov heat flux model and thermal radiation effects are also included in the present study. The similarity technique is employed to reduce the governing non-linear partial differential equations to a set of ordinary differential equation. Keller Box numerical scheme is then used to approximate the solutions for the thermal analysis. Results are presented for conventional copper oxide-ethylene glycol (CuO-EG) and hybrid titanium-copper oxide/ethylene glycol ({TiO}_2 -CuO/EG) nanofluids. The spherical, hexahedron, tetrahedron, cylindrical, and lamina-shaped nanoparticles are considered in the present analysis. The significant findings of the study is the enhanced heat transfer capability of hybrid nanofluids over the conventional nanofluids, greatest heat transfer rate for the smallest value of the shape factor parameter and the increase in Reynolds number and Brinkman number increases the overall entropy of the system.

Offline modeling for product quality prediction of mineral processing using modeling error PDF shaping and entropy minimization.

PubMed

Ding, Jinliang; Chai, Tianyou; Wang, Hong

2011-03-01

This paper presents a novel offline modeling for product quality prediction of mineral processing which consists of a number of unit processes in series. The prediction of the product quality of the whole mineral process (i.e., the mixed concentrate grade) plays an important role and the establishment of its predictive model is a key issue for the plantwide optimization. For this purpose, a hybrid modeling approach of the mixed concentrate grade prediction is proposed, which consists of a linear model and a nonlinear model. The least-squares support vector machine is adopted to establish the nonlinear model. The inputs of the predictive model are the performance indices of each unit process, while the output is the mixed concentrate grade. In this paper, the model parameter selection is transformed into the shape control of the probability density function (PDF) of the modeling error. In this context, both the PDF-control-based and minimum-entropy-based model parameter selection approaches are proposed. Indeed, this is the first time that the PDF shape control idea is used to deal with system modeling, where the key idea is to turn model parameters so that either the modeling error PDF is controlled to follow a target PDF or the modeling error entropy is minimized. The experimental results using the real plant data and the comparison of the two approaches are discussed. The results show the effectiveness of the proposed approaches.

Effects of entropy changes in anodes and cathodes on the thermal behavior of lithium ion batteries

NASA Astrophysics Data System (ADS)

Williford, Ralph E.; Viswanathan, Vilayanur V.; Zhang, Ji-Guang

The entropy changes (Δ S) in various cathode and anode materials, as well as complete Li-ion batteries, were measured using an electrochemical thermodynamic measurement system (ETMS). A thermal model based on the fundamental properties of individual electrodes was used to obtain transient and equilibrium temperature distributions of Li-ion batteries. The results from theoretical simulations were compared with results obtained in experimental measurements. We found that the detailed shape of the entropy curves strongly depends on the manufacturer of the materials even for the same nominal compositions. LiCoO 2 has a much larger entropy change than LiNi xCo yMn zO 2. This means that LiNi xCo yMn zO 2 is much more thermodynamically stable than LiCoO 2). The temperatures around the positive terminal of a prismatic battery are consistently higher than those at the negative terminal, due to differences in the thermal conductivities of the different terminal connectors. When all other simulation parameters are the same, simulations that use a battery-averaged entropy tend to overestimate the predicted temperatures when compared with simulations that use individual entropies for the anode and the cathode, due to computational averaging.

Explaining the density profile of self-gravitating systems by statistical mechanics

NASA Astrophysics Data System (ADS)

Kang, Dong-Biao

A self-gravitating system usually shows a quasi-universal density profile, such as the NFW profile of a simulated dark matter halo, the flat rotation curve of a spiral galaxy, the Sérsic profile of an elliptical galaxy, the King profile of a globular cluster and the exponential law of the stellar disk. It will be interesting if all of the above can be obtained from first principles. Based on the original work of White & Narayan (1987), we propose that if the self-bounded system is divided into infinite infinitesimal subsystems, the entropy of each subsystem can be maximized, but the whole system's gravity may just play the role of the wall, which may not increase the whole system's entropy S t , and finally S t may be the minimum among all of the locally maximized entropies (He & Kang 2010). For spherical systems with isotropic velocity dispersion, the form of the equation of state will be a hybrid of isothermal and adiabatic (Kang & He 2011). Hence this density profile can be approximated by a truncated isothermal sphere, which means that the total mass must be finite and our results can be consistent with observations (Kang & He 2011b). Our method requires that the mass and energy should be conserved, so we only compare our results with simulations of mild relaxation (i.e. the virial ratio is close to -1) of dissipationless collapse (Kang 2014), and the fitting also is well. The capacity can be calculated and is found not to be always negative as in previous works, and combining with calculations of the second order variation of the entropy, we find that the thermodynamical stability still can be true (Kang 2012) if the temperature tends to be zero. However, the cusp in the center of dark matter halos can not be explained, and more works will continue. The above work can be generalized to study the radial distribution of the disk (Kang 2015). The energy constraint automatically disappears in our variation, because angular momentum is much more important than energy for the disk-shape system. To simplify this issue, a toy model is taken: 2D gravity is adopted, then at large scale it will be consistent with a flat rotation curve; the bulge and the stellar disk are studied together. Then with constraints of mass and angular momentum, the calculated surface density can be consistent with the truncated, up-bended or standard exponential law. Therefore the radial distribution of the stellar disk may be determined by both the random and orbital motions of stars. In our fittings the central gravity is set to be nonzero to include the effect of asymmetric components.

Directionality theory and the evolution of body size.

PubMed

Demetrius, L

2000-12-07

Directionality theory, a dynamic theory of evolution that integrates population genetics with demography, is based on the concept of evolutionary entropy, a measure of the variability in the age of reproducing individuals in a population. The main tenets of the theory are three principles relating the response to the ecological constraints a population experiences, with trends in entropy as the population evolves under mutation and natural selection. (i) Stationary size or fluctuations around a stationary size (bounded growth): a unidirectional increase in entropy; (ii) prolonged episodes of exponential growth (unbounded growth), large population size: a unidirectional decrease in entropy; and (iii) prolonged episodes of exponential growth (unbounded growth), small population size: random, non-directional change in entropy. We invoke these principles, together with an allometric relationship between entropy, and the morphometric variable body size, to provide evolutionary explanations of three empirical patterns pertaining to trends in body size, namely (i) Cope's rule, the tendency towards size increase within phyletic lineages; (ii) the island rule, which pertains to changes in body size that occur as species migrate from mainland populations to colonize island habitats; and (iii) Bergmann's rule, the tendency towards size increase with increasing latitude. The observation that these ecotypic patterns can be explained in terms of the directionality principles for entropy underscores the significance of evolutionary entropy as a unifying concept in forging a link between micro-evolution, the dynamics of gene frequency change, and macro-evolution, dynamic changes in morphometric variables.

Entropy-driven homochiral self-sorting of a dynamic library.

PubMed

Atcher, Joan; Bujons, Jordi; Alfonso, Ignacio

2017-04-11

A dynamic mixture of stereoisomeric macrocycles derived from glutamic acid displayed a homochiral self-selection when increasing the acetonitrile content of the aqueous mixed medium. The homochiral self-sorting required the anionic form of the side chains and increased at higher temperature, implying an entropic origin. Conformational analysis (NMR and MD simulations) allowed us to explain the observed behaviour. The results show that entropy can play a role in the homochiral self-sorting in adaptive bio-inspired chemical systems.

Isobaric yield ratio difference and Shannon information entropy

NASA Astrophysics Data System (ADS)

Ma, Chun-Wang; Wei, Hui-Ling; Wang, Shan-Shan; Ma, Yu-Gang; Wada, Ryoichi; Zhang, Yan-Li

2015-03-01

The Shannon information entropy theory is used to explain the recently proposed isobaric yield ratio difference (IBD) probe which aims to determine the nuclear symmetry energy. Theoretically, the difference between the Shannon uncertainties carried by isobars in two different reactions (ΔIn21), is found to be equivalent to the difference between the chemical potentials of protons and neutrons of the reactions [the IBD probe, IB- Δ(βμ)21, with β the reverse temperature]. From the viewpoints of Shannon information entropy, the physical meaning of the above chemical potential difference is interpreted by ΔIn21 as denoting the nuclear symmetry energy or density difference between neutrons and protons in reactions more concisely than from the statistical ablation-abrasion model.

Maximum entropy and equations of state for random cellular structures

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

Rivier, N.

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

Entropy production in a box: Analysis of instabilities in confined hydrothermal systems

NASA Astrophysics Data System (ADS)

Börsing, N.; Wellmann, J. F.; Niederau, J.; Regenauer-Lieb, K.

2017-09-01

We evaluate if the concept of thermal entropy production can be used as a measure to characterize hydrothermal convection in a confined porous medium as a valuable, thermodynamically motivated addition to the standard Rayleigh number analysis. Entropy production has been used widely in the field of mechanical and chemical engineering as a way to characterize the thermodynamic state and irreversibility of an investigated system. Pioneering studies have since adapted these concepts to natural systems, and we apply this measure here to investigate the specific case of hydrothermal convection in a "box-shaped" confined porous medium, as a simplified analog for, e.g., hydrothermal convection in deep geothermal aquifers. We perform various detailed numerical experiments to assess the response of the convective system to changing boundary conditions or domain aspect ratios, and then determine the resulting entropy production for each experiment. In systems close to the critical Rayleigh number, we derive results that are in accordance to the analytically derived predictions. At higher Rayleigh numbers, however, we observe multiple possible convection modes, and the analysis of the integrated entropy production reveals distinct curves of entropy production that provide an insight into the hydrothermal behavior in the system, both for cases of homogeneous materials, as well as for heterogeneous spatial material distributions. We conclude that the average thermal entropy production characterizes the internal behavior of hydrothermal systems with a meaningful thermodynamic measure, and we expect that it can be useful for the investigation of convection systems in many similar hydrogeological and geophysical settings.

Increased shell entropy as an explanation for observed decreased shell areal densities in OMEGA implosions

NASA Astrophysics Data System (ADS)

Hoffman, Nelson; Herrmann, Hans; Kim, Yongho

2014-10-01

A reduced ion-kinetic (RIK) model used in hydrodynamic simulations has had some success in explaining time- and space-averaged observables characterizing the fusion fuel in hot low-density ICF capsule implosions driven by 1-ns 60-beam laser pulses at OMEGA. But observables characterizing the capsule shell, e.g., the areal density of 12C in a plastic shell, have proved harder to explain. Recently we have found that assuming the shell has higher entropy than expected in a 1D laser-driven RIK simulation allows an explanation of the observed values of 12C areal density, and its dependence on initial shell thickness in a set of DT-filled plastic capsules. If, for example, a 15- μm CH shell implodes on an adiabat two to three times higher than predicted in a typical unmodified RIK simulation, the calculated burn-averaged shell areal density decreases from ~80 mg/cm2 in the unmodified simulation to the observed value of ~25 mg/cm2. We discuss possible mechanisms that could lead to increased entropy in such implosions. Research supported by U.S. Department of Energy under Contract DE-AC52-06NA25396.

Joint Entropy for Space and Spatial Frequency Domains Estimated from Psychometric Functions of Achromatic Discrimination

PubMed Central

Silveira, Vladímir de Aquino; Souza, Givago da Silva; Gomes, Bruno Duarte; Rodrigues, Anderson Raiol; Silveira, Luiz Carlos de Lima

2014-01-01

We used psychometric functions to estimate the joint entropy for space discrimination and spatial frequency discrimination. Space discrimination was taken as discrimination of spatial extent. Seven subjects were tested. Gábor functions comprising unidimensionalsinusoidal gratings (0.4, 2, and 10 cpd) and bidimensionalGaussian envelopes (1°) were used as reference stimuli. The experiment comprised the comparison between reference and test stimulithat differed in grating's spatial frequency or envelope's standard deviation. We tested 21 different envelope's standard deviations around the reference standard deviation to study spatial extent discrimination and 19 different grating's spatial frequencies around the reference spatial frequency to study spatial frequency discrimination. Two series of psychometric functions were obtained for 2%, 5%, 10%, and 100% stimulus contrast. The psychometric function data points for spatial extent discrimination or spatial frequency discrimination were fitted with Gaussian functions using the least square method, and the spatial extent and spatial frequency entropies were estimated from the standard deviation of these Gaussian functions. Then, joint entropy was obtained by multiplying the square root of space extent entropy times the spatial frequency entropy. We compared our results to the theoretical minimum for unidimensional Gábor functions, 1/4π or 0.0796. At low and intermediate spatial frequencies and high contrasts, joint entropy reached levels below the theoretical minimum, suggesting non-linear interactions between two or more visual mechanisms. We concluded that non-linear interactions of visual pathways, such as the M and P pathways, could explain joint entropy values below the theoretical minimum at low and intermediate spatial frequencies and high contrasts. These non-linear interactions might be at work at intermediate and high contrasts at all spatial frequencies once there was a substantial decrease in joint entropy for these stimulus conditions when contrast was raised. PMID:24466158

Joint entropy for space and spatial frequency domains estimated from psychometric functions of achromatic discrimination.

PubMed

Silveira, Vladímir de Aquino; Souza, Givago da Silva; Gomes, Bruno Duarte; Rodrigues, Anderson Raiol; Silveira, Luiz Carlos de Lima

2014-01-01

We used psychometric functions to estimate the joint entropy for space discrimination and spatial frequency discrimination. Space discrimination was taken as discrimination of spatial extent. Seven subjects were tested. Gábor functions comprising unidimensionalsinusoidal gratings (0.4, 2, and 10 cpd) and bidimensionalGaussian envelopes (1°) were used as reference stimuli. The experiment comprised the comparison between reference and test stimulithat differed in grating's spatial frequency or envelope's standard deviation. We tested 21 different envelope's standard deviations around the reference standard deviation to study spatial extent discrimination and 19 different grating's spatial frequencies around the reference spatial frequency to study spatial frequency discrimination. Two series of psychometric functions were obtained for 2%, 5%, 10%, and 100% stimulus contrast. The psychometric function data points for spatial extent discrimination or spatial frequency discrimination were fitted with Gaussian functions using the least square method, and the spatial extent and spatial frequency entropies were estimated from the standard deviation of these Gaussian functions. Then, joint entropy was obtained by multiplying the square root of space extent entropy times the spatial frequency entropy. We compared our results to the theoretical minimum for unidimensional Gábor functions, 1/4π or 0.0796. At low and intermediate spatial frequencies and high contrasts, joint entropy reached levels below the theoretical minimum, suggesting non-linear interactions between two or more visual mechanisms. We concluded that non-linear interactions of visual pathways, such as the M and P pathways, could explain joint entropy values below the theoretical minimum at low and intermediate spatial frequencies and high contrasts. These non-linear interactions might be at work at intermediate and high contrasts at all spatial frequencies once there was a substantial decrease in joint entropy for these stimulus conditions when contrast was raised.

The specific entropy of elliptical galaxies: an explanation for profile-shape distance indicators?

NASA Astrophysics Data System (ADS)

Lima Neto, G. B.; Gerbal, D.; Márquez, I.

1999-10-01

Dynamical systems in equilibrium have a stationary entropy; we suggest that elliptical galaxies, as stellar systems in a stage of quasi-equilibrium, may have in principle a unique specific entropy. This uniqueness, a priori unknown, should be reflected in correlations between the fundamental parameters describing the mass (light) distribution in galaxies. Following recent photometrical work on elliptical galaxies by Caon et al., Graham & Colless and Prugniel & Simien, we use the Sérsic law to describe the light profile and an analytical approximation to its three-dimensional deprojection. The specific entropy is then calculated, supposing that the galaxy behaves as a spherical, isotropic, one-component system in hydrostatic equilibrium, obeying the ideal-gas equations of state. We predict a relation between the three parameters of the Sérsic law linked to the specific entropy, defining a surface in the parameter space, an `Entropic Plane', by analogy with the well-known Fundamental Plane. We have analysed elliptical galaxies in two rich clusters of galaxies (Coma and ABCG 85) and a group of galaxies (associated with NGC 4839, near Coma). We show that, for a given cluster, the galaxies follow closely a relation predicted by the constant specific entropy hypothesis with a typical dispersion (one standard deviation) of 9.5per cent around the mean value of the specific entropy. Moreover, assuming that the specific entropy is also the same for galaxies of different clusters, we are able to derive relative distances between Coma, ABGC 85, and the group of NGC 4839. If the errors are due only to the determination of the specific entropy (about 10per cent), then the error in the relative distance determination should be less than 20per cent for rich clusters. We suggest that the unique specific entropy may provide a physical explanation for the distance indicators based on the Sérsic profile put forward by Young & Currie and recently discussed by Binggeli & Jerjen.

On the recent warming in the subcloud layer entropy and vertically integrated moist static energy over South Asian Monsoon region.

NASA Astrophysics Data System (ADS)

Konduru, R.; Gupta, A.; Matsumoto, J.; Takahashi, H. G.

2017-12-01

In order to explain monsoon circulation, surface temperature gradients described as most traditional concept. However, it cannot explain certain important aspects of monsoon circulation. Later, convective quasi-equilibrium framework and vertically integrated atmospheric energy budget has become recognized theories to explain the monsoon circulation. In this article, same theories were analyzed and observed for the duration 1979-2010 over south Asian summer monsoon region. With the help of NCEP-R2, NOAA 20th Century, and Era-Interim reanalysis an important feature was noticed pertained to subcloud layer entropy and vertical moist static energy. In the last 32 years, subcloud layer entropy and vertically integrated moist static energy has shown significant seasonal warming all over the region with peak over the poleward flank of the cross-equatorial cell. The important reason related to the warming was found to be increase in surface enthalpy fluxes. Instead, other dynamical contributions pertained to the warming was also observed. Increase in positive anomalies of vertical advection of moist static energy over northern Bay of Bengal, Central India, Peninsular India, Eastern Arabian Sea, and Equatorial Indian Ocean was found to be an important dynamic factor contributing for warming of vertically integrated moist static energy. Along with it vertical moist stability has also supported the argument. Similar interpretations were perceived in the AMIP simulation of CCSM4 model. Further modeling experiments on this warming will be helpful to know the exact mechanism behind it.

Moisture sorption isotherms and thermodynamic properties of mexican mennonite-style cheese.

PubMed

Martinez-Monteagudo, Sergio I; Salais-Fierro, Fabiola

2014-10-01

Moisture adsorption isotherms of fresh and ripened Mexican Mennonite-style cheese were investigated using the static gravimetric method at 4, 8, and 12 °C in a water activity range (aw) of 0.08-0.96. These isotherms were modeled using GAB, BET, Oswin and Halsey equations through weighed non-linear regression. All isotherms were sigmoid in shape, showing a type II BET isotherm, and the data were best described by GAB model. GAB model coefficients revealed that water adsorption by cheese matrix is a multilayer process characterized by molecules that are strongly bound in the monolayer and molecules that are slightly structured in a multilayer. Using the GAB model, it was possible to estimate thermodynamic functions (net isosteric heat, differential entropy, integral enthalpy and entropy, and enthalpy-entropy compensation) as function of moisture content. For both samples, the isosteric heat and differential entropy decreased with moisture content in exponential fashion. The integral enthalpy gradually decreased with increasing moisture content after reached a maximum value, while the integral entropy decreased with increasing moisture content after reached a minimum value. A linear compensation was found between integral enthalpy and entropy suggesting enthalpy controlled adsorption. Determination of moisture content and aw relationship yields to important information of controlling the ripening, drying and storage operations as well as understanding of the water state within a cheese matrix.

Experiments and Model for Serration Statistics in Low-Entropy, Medium-Entropy, and High-Entropy Alloys

DOE PAGES

Carroll, Robert; Lee, Chi; Tsai, Che-Wei; ...

2015-11-23

In this study, high-entropy alloys (HEAs) are new alloys that contain five or more elements in roughly-equal proportion. We present new experiments and theory on the deformation behavior of HEAs under slow stretching (straining), and observe differences, compared to conventional alloys with fewer elements. For a specific range of temperatures and strain-rates, HEAs deform in a jerky way, with sudden slips that make it difficult to precisely control the deformation. An analytic model explains these slips as avalanches of slipping weak spots and predicts the observed slip statistics, stress-strain curves, and their dependence on temperature, strain-rate, and material composition. Themore » ratio of the weak spots’ healing rate to the strain-rate is the main tuning parameter, reminiscent of the Portevin- LeChatellier effect and time-temperature superposition in polymers. Our model predictions agree with the experimental results. The proposed widely-applicable deformation mechanism is useful for deformation control and alloy design.« less

Entropy corrected holographic dark energy models in modified gravity

NASA Astrophysics Data System (ADS)

Jawad, Abdul; Azhar, Nadeem; Rani, Shamaila

We consider the power law and the entropy corrected holographic dark energy (HDE) models with Hubble horizon in the dynamical Chern-Simons modified gravity. We explore various cosmological parameters and planes in this framework. The Hubble parameter lies within the consistent range at the present and later epoch for both entropy corrected models. The deceleration parameter explains the accelerated expansion of the universe. The equation of state (EoS) parameter corresponds to quintessence and cold dark matter (ΛCDM) limit. The ωΛ-ωΛ‧ approaches to ΛCDM limit and freezing region in both entropy corrected models. The statefinder parameters are consistent with ΛCDM limit and dark energy (DE) models. The generalized second law of thermodynamics remain valid in all cases of interacting parameter. It is interesting to mention here that our results of Hubble, EoS parameter and ωΛ-ωΛ‧ plane show consistency with the present observations like Planck, WP, BAO, H0, SNLS and nine-year WMAP.

The minimal work cost of information processing

NASA Astrophysics Data System (ADS)

Faist, Philippe; Dupuis, Frédéric; Oppenheim, Jonathan; Renner, Renato

2015-07-01

Irreversible information processing cannot be carried out without some inevitable thermodynamical work cost. This fundamental restriction, known as Landauer's principle, is increasingly relevant today, as the energy dissipation of computing devices impedes the development of their performance. Here we determine the minimal work required to carry out any logical process, for instance a computation. It is given by the entropy of the discarded information conditional to the output of the computation. Our formula takes precisely into account the statistically fluctuating work requirement of the logical process. It enables the explicit calculation of practical scenarios, such as computational circuits or quantum measurements. On the conceptual level, our result gives a precise and operational connection between thermodynamic and information entropy, and explains the emergence of the entropy state function in macroscopic thermodynamics.

Shannon information, LMC complexity and Rényi entropies: a straightforward approach.

PubMed

López-Ruiz, Ricardo

2005-04-01

The LMC complexity, an indicator of complexity based on a probabilistic description, is revisited. A straightforward approach allows us to establish the time evolution of this indicator in a near-equilibrium situation and gives us a new insight for interpreting the LMC complexity for a general non equilibrium system. Its relationship with the Rényi entropies is also explained. One of the advantages of this indicator is that its calculation does not require a considerable computational effort in many cases of physical and biological interest.

Quantitative morphometric analysis of hepatocellular carcinoma: development of a programmed algorithm and preliminary application.

PubMed

Yap, Felix Y; Bui, James T; Knuttinen, M Grace; Walzer, Natasha M; Cotler, Scott J; Owens, Charles A; Berkes, Jamie L; Gaba, Ron C

2013-01-01

The quantitative relationship between tumor morphology and malignant potential has not been explored in liver tumors. We designed a computer algorithm to analyze shape features of hepatocellular carcinoma (HCC) and tested feasibility of morphologic analysis. Cross-sectional images from 118 patients diagnosed with HCC between 2007 and 2010 were extracted at the widest index tumor diameter. The tumor margins were outlined, and point coordinates were input into a MATLAB (MathWorks Inc., Natick, Massachusetts, USA) algorithm. Twelve shape descriptors were calculated per tumor: the compactness, the mean radial distance (MRD), the RD standard deviation (RDSD), the RD area ratio (RDAR), the zero crossings, entropy, the mean Feret diameter (MFD), the Feret ratio, the convex hull area (CHA) and perimeter (CHP) ratios, the elliptic compactness (EC), and the elliptic irregularity (EI). The parameters were correlated with the levels of alpha-fetoprotein (AFP) as an indicator of tumor aggressiveness. The quantitative morphometric analysis was technically successful in all cases. The mean parameters were as follows: compactness 0.88±0.086, MRD 0.83±0.056, RDSD 0.087±0.037, RDAR 0.045±0.023, zero crossings 6±2.2, entropy 1.43±0.16, MFD 4.40±3.14 cm, Feret ratio 0.78±0.089, CHA 0.98±0.027, CHP 0.98±0.030, EC 0.95±0.043, and EI 0.95±0.023. MFD and RDAR provided the widest value range for the best shape discrimination. The larger tumors were less compact, more concave, and less ellipsoid than the smaller tumors (P < 0.0001). AFP-producing tumors displayed greater morphologic irregularity based on several parameters, including compactness, MRD, RDSD, RDAR, entropy, and EI (P < 0.05 for all). Computerized HCC image analysis using shape descriptors is technically feasible. Aggressively growing tumors have wider diameters and more irregular margins. Future studies will determine further clinical applications for this morphologic analysis.

Simulation and Modeling in High Entropy Alloys

NASA Astrophysics Data System (ADS)

Toda-Caraballo, I.; Wróbel, J. S.; Nguyen-Manh, D.; Pérez, P.; Rivera-Díaz-del-Castillo, P. E. J.

2017-11-01

High entropy alloys (HEAs) is a fascinating field of research, with an increasing number of new alloys discovered. This would hardly be conceivable without the aid of materials modeling and computational alloy design to investigate the immense compositional space. The simplicity of the microstructure achieved contrasts with the enormous complexity of its composition, which, in turn, increases the variety of property behavior observed. Simulation and modeling techniques are of paramount importance in the understanding of such material performance. There are numerous examples of how different models have explained the observed experimental results; yet, there are theories and approaches developed for conventional alloys, where the presence of one element is predominant, that need to be adapted or re-developed. In this paper, we review of the current state of the art of the modeling techniques applied to explain HEAs properties, identifying the potential new areas of research to improve the predictability of these techniques.

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

Larche, Michael R.; Prowant, Matthew S.; Bruillard, Paul J.

This study compares different approaches for imaging the internal architecture of graphite/epoxy composites using backscattered ultrasound. Two cases are studied. In the first, near-surface defects in a thin graphite/epoxy plates are imaged. The same backscattered waveforms were used to produce peak-to-peak, logarithm of signal energy, as well as entropy images of different types. All of the entropy images exhibit better border delineation and defect contrast than the either peak-to-peak or logarithm of signal energy. The best results are obtained using the joint entropy of the backscattered waveforms with a reference function. Two different references are examined. The first is amore » reflection of the insonifying pulse from a stainless steel reflector. The second is an approximate optimum obtained from an iterative parametric search. The joint entropy images produced using this reference exhibit three times the contrast obtained in previous studies. These plates were later destructively analyzed to determine size and location of near-surface defects and the results found to agree with the defect location and shape as indicated by the entropy images. In the second study, images of long carbon graphite fibers (50% by weight) in polypropylene thermoplastic are obtained as a first step toward ultrasonic determination of the distributions of fiber position and orientation.« less

Texture descriptions of lunar surface derived from LOLA data: Kilometer-scale roughness and entropy maps

NASA Astrophysics Data System (ADS)

Li, Bo; Ling, Zongcheng; Zhang, Jiang; Chen, Jian; Wu, Zhongchen; Ni, Yuheng; Zhao, Haowei

2015-11-01

The lunar global texture maps of roughness and entropy are derived at kilometer scales from Digital Elevation Models (DEMs) data obtained by Lunar Orbiter Laser Altimeter (LOLA) aboard on Lunar Reconnaissance Orbiter (LRO) spacecraft. We use statistical moments of a gray-level histogram of elevations in a neighborhood to compute the roughness and entropy value. Our texture descriptors measurements are shown in global maps at multi-sized square neighborhoods, whose length of side is 3, 5, 10, 20, 40 and 80 pixels, respectively. We found that large-scale topographical changes can only be displayed in maps with longer side of neighborhood, but the small scale global texture maps are more disorderly and unsystematic because of more complicated textures' details. Then, the frequency curves of texture maps are made out, whose shapes and distributions are changing as the spatial scales increases. Entropy frequency curve with minimum 3-pixel scale has large fluctuations and six peaks. According to this entropy curve we can classify lunar surface into maria, highlands, different parts of craters preliminarily. The most obvious textures in the middle-scale roughness and entropy maps are the two typical morphological units, smooth maria and rough highlands. For the impact crater, its roughness and entropy value are characterized by a multiple-ring structure obviously, and its different parts have different texture results. In the last, we made a 2D scatter plot between the two texture results of typical lunar maria and highlands. There are two clusters with largest dot density which are corresponded to the lunar highlands and maria separately. In the lunar mare regions (cluster A), there is a high correlation between roughness and entropy, but in the highlands (Cluster B), the entropy shows little change. This could be subjected to different geological processes of maria and highlands forming different landforms.

Thermodynamics of organisms in the context of dynamic energy budget theory.

PubMed

Sousa, Tânia; Mota, Rui; Domingos, Tiago; Kooijman, S A L M

2006-11-01

We carry out a thermodynamic analysis to an organism. It is applicable to any type of organism because (1) it is based on a thermodynamic formalism applicable to all open thermodynamic systems and (2) uses a general model to describe the internal structure of the organism--the dynamic energy budget (DEB) model. Our results on the thermodynamics of DEB organisms are the following. (1) Thermodynamic constraints for the following types of organisms: (a) aerobic and exothermic, (b) anaerobic and exothermic, and (c) anaerobic and endothermic; showing that anaerobic organisms have a higher thermodynamic flexibility. (2) A way to compute the changes in the enthalpy and in the entropy of living biomass that accompany changes in growth rate solving the problem of evaluating the thermodynamic properties of biomass as a function of the amount of reserves. (3) Two expressions for Thornton's coefficient that explain its experimental variability and theoretically underpin its use in metabolic studies. (4) A mechanism that organisms in non-steady-state use to rid themselves of internal entropy production: "dilution of entropy production by growth." To demonstrate the practical applicability of DEB theory to quantify thermodynamic changes in organisms we use published data on Klebsiella aerogenes growing aerobically in a continuous culture. We obtain different values for molar entropies of the reserve and the structure of Klebsiella aerogenes proving that the reserve density concept of DEB theory is essential in discussions concerning (a) the relationship between organization and entropy and (b) the mechanism of storing entropy in new biomass. Additionally, our results suggest that the entropy of dead biomass is significantly different from the entropy of living biomass.

Psychoacoustic entropy theory and its implications for performance practice

NASA Astrophysics Data System (ADS)

Strohman, Gregory J.

This dissertation attempts to motivate, derive and imply potential uses for a generalized perceptual theory of musical harmony called psychoacoustic entropy theory. This theory treats the human auditory system as a physical system which takes acoustic measurements. As a result, the human auditory system is subject to all the appropriate uncertainties and limitations of other physical measurement systems. This is the theoretic basis for defining psychoacoustic entropy. Psychoacoustic entropy is a numerical quantity which indexes the degree to which the human auditory system perceives instantaneous disorder within a sound pressure wave. Chapter one explains the importance of harmonic analysis as a tool for performance practice. It also outlines the critical limitations for many of the most influential historical approaches to modeling harmonic stability, particularly when compared to available scientific research in psychoacoustics. Rather than analyze a musical excerpt, psychoacoustic entropy is calculated directly from sound pressure waves themselves. This frames psychoacoustic entropy theory in the most general possible terms as a theory of musical harmony, enabling it to be invoked for any perceivable sound. Chapter two provides and examines many widely accepted mathematical models of the acoustics and psychoacoustics of these sound pressure waves. Chapter three introduces entropy as a precise way of measuring perceived uncertainty in sound pressure waves. Entropy is used, in combination with the acoustic and psychoacoustic models introduced in chapter two, to motivate the mathematical formulation of psychoacoustic entropy theory. Chapter four shows how to use psychoacoustic entropy theory to analyze the certain types of musical harmonies, while chapter five applies the analytical tools developed in chapter four to two short musical excerpts to influence their interpretation. Almost every form of harmonic analysis invokes some degree of mathematical reasoning. However, the limited scope of most harmonic systems used for Western common practice music greatly simplifies the necessary level of mathematical detail. Psychoacoustic entropy theory requires a greater deal of mathematical complexity due to its sheer scope as a generalized theory of musical harmony. Fortunately, under specific assumptions the theory can take on vastly simpler forms. Psychoacoustic entropy theory appears to be highly compatible with the latest scientific research in psychoacoustics. However, the theory itself should be regarded as a hypothesis and this dissertation an experiment in progress. The evaluation of psychoacoustic entropy theory as a scientific theory of human sonic perception must wait for more rigorous future research.

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

PubMed

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

2012-02-21

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

Maximum Entropy, Word-Frequency, Chinese Characters, and Multiple Meanings

PubMed Central

Yan, Xiaoyong; Minnhagen, Petter

2015-01-01

The word-frequency distribution of a text written by an author is well accounted for by a maximum entropy distribution, the RGF (random group formation)-prediction. The RGF-distribution is completely determined by the a priori values of the total number of words in the text (M), the number of distinct words (N) and the number of repetitions of the most common word (kmax). It is here shown that this maximum entropy prediction also describes a text written in Chinese characters. In particular it is shown that although the same Chinese text written in words and Chinese characters have quite differently shaped distributions, they are nevertheless both well predicted by their respective three a priori characteristic values. It is pointed out that this is analogous to the change in the shape of the distribution when translating a given text to another language. Another consequence of the RGF-prediction is that taking a part of a long text will change the input parameters (M, N, kmax) and consequently also the shape of the frequency distribution. This is explicitly confirmed for texts written in Chinese characters. Since the RGF-prediction has no system-specific information beyond the three a priori values (M, N, kmax), any specific language characteristic has to be sought in systematic deviations from the RGF-prediction and the measured frequencies. One such systematic deviation is identified and, through a statistical information theoretical argument and an extended RGF-model, it is proposed that this deviation is caused by multiple meanings of Chinese characters. The effect is stronger for Chinese characters than for Chinese words. The relation between Zipf’s law, the Simon-model for texts and the present results are discussed. PMID:25955175

Shape Memory Alloys and Their Applications in Power Generation and Refrigeration

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

Cui, Jun

The shape memory effect is closely related to the reversible martensitic phase transformation, which is diffusionless and involves shear deformation. The recoverable transformation between the two phases with different crystalline symmetry results in reversible changes in physical properties such as electrical conductivity, magnetization, and elasticity. Accompanying the transformation is a change of entropy. Fascinating applications are developed based on these changes. In this paper, the history, fundamentals and technical challenges of both thermoelastic and ferromagnetic shape memory alloys are briefly reviewed; applications related to energy conversion such as power generation and refrigeration as well as recent developments will be discussed.

Shape Memory Alloys and their Applications in Power Generation and Refrigeration

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

Cui, Jun

The shape memory effect is closely related to the reversible martensitic phase transformation, which is diffusionless and involves shear deformation. The recoverable transformation between the two phases with different crystalline symmetry results in reversible changes in physical properties such as electrical conductivity, magnetization, and elasticity. Accompanying the transformation is a change of entropy. Fascinating applications are developed based on these changes. In this paper, the history, fundamentals and technical challenges of both thermoelastic and ferromagnetic shape memory alloys are briefly reviewed; applications related to energy conversion such as power generation and refrigeration as well as recent developments will be discussed.

Shape Descriptors for the Quantification of Microstructures

DTIC Science & Technology

2016-01-05

SUBJECT TERMS image analysis , microstructure 16.  SECURITY CLASSIFICATION OF: 17.  LIMITATION OF       ABSTRACT 18.  NUMBER        OF Standard Form...image entropy becomes nearly linearly dependent on temperature. The image analysis approach is capable of characterizing the range of strain domain...recognition and image analysis . The main hurdle to be overcome is the vanishing of these odd order moments for shapes which are symmetric about the

Silicate melts: The “anomalous” pressure dependence of the viscosity

NASA Astrophysics Data System (ADS)

Bottinga, Y.; Richet, P.

1995-07-01

The decrease of the specific volume, when the extent of polymerization diminishes, is a cause of the pressure sensitivity of the viscosity of silicate melts. This effect can be explained by means of the Adam and Gibbs (1965) theory, taking into account the pressure dependence of the degree of polymerization of the melt and its influence on the configurational entropy. At temperatures close to their glass transitions, liquid silica and SiO2sbnd Na2O melts have configurational entropies that are probably due to the mixing of their bridging and nonbridging oxygen atoms.

Phase stability and magnetic behavior of FeCrCoNiGe high-entropy alloy

NASA Astrophysics Data System (ADS)

Huang, Shuo; Vida, Ádám; Molnár, Dávid; Kádas, Krisztina; Varga, Lajos Károly; Holmström, Erik; Vitos, Levente

2015-12-01

We report an alternative FeCrCoNiGe magnetic material based on FeCrCoNi high-entropy alloy with Curie point far below the room temperature. Investigations are done using first-principles calculations and key experimental measurements. Results show that the equimolar FeCrCoNiGe system is decomposed into a mixture of face-centered cubic and body-centered cubic solid solution phases. The increased stability of the ferromagnetic order in the as-cast FeCrCoNiGe composite, with measured Curie temperature of 640 K, is explained using the exchange interactions.

Dynamical complexity changes during two forms of meditation

NASA Astrophysics Data System (ADS)

Li, Jin; Hu, Jing; Zhang, Yinhong; Zhang, Xiaofeng

2011-06-01

Detection of dynamical complexity changes in natural and man-made systems has deep scientific and practical meaning. We use the base-scale entropy method to analyze dynamical complexity changes for heart rate variability (HRV) series during specific traditional forms of Chinese Chi and Kundalini Yoga meditation techniques in healthy young adults. The results show that dynamical complexity decreases in meditation states for two forms of meditation. Meanwhile, we detected changes in probability distribution of m-words during meditation and explained this changes using probability distribution of sine function. The base-scale entropy method may be used on a wider range of physiologic signals.

Functional determinants, index theorems, and exact quantum black hole entropy

NASA Astrophysics Data System (ADS)

Murthy, Sameer; Reys, Valentin

2015-12-01

The exact quantum entropy of BPS black holes can be evaluated using localization in supergravity. An important ingredient in this program, that has been lacking so far, is the one-loop effect arising from the quadratic fluctuations of the exact deformation (the QV operator). We compute the fluctuation determinant for vector multiplets and hyper multiplets around Q-invariant off-shell configurations in four-dimensional N=2 supergravity with AdS 2 × S 2 boundary conditions, using the Atiyah-Bott fixed-point index theorem and a subsequent zeta function regularization. Our results extend the large-charge on-shell entropy computations in the literature to a regime of finite charges. Based on our results, we present an exact formula for the quantum entropy of BPS black holes in N=2 supergravity. We explain cancellations concerning 1/8 -BPS black holes in N=8 supergravity that were observed in arXiv:1111.1161. We also make comments about the interpretation of a logarithmic term in the topological string partition function in the low energy supergravity theory.

Analysis of swarm behaviors based on an inversion of the fluctuation theorem.

PubMed

Hamann, Heiko; Schmickl, Thomas; Crailsheim, Karl

2014-01-01

A grand challenge in the field of artificial life is to find a general theory of emergent self-organizing systems. In swarm systems most of the observed complexity is based on motion of simple entities. Similarly, statistical mechanics focuses on collective properties induced by the motion of many interacting particles. In this article we apply methods from statistical mechanics to swarm systems. We try to explain the emergent behavior of a simulated swarm by applying methods based on the fluctuation theorem. Empirical results indicate that swarms are able to produce negative entropy within an isolated subsystem due to frozen accidents. Individuals of a swarm are able to locally detect fluctuations of the global entropy measure and store them, if they are negative entropy productions. By accumulating these stored fluctuations over time the swarm as a whole is producing negative entropy and the system ends up in an ordered state. We claim that this indicates the existence of an inverted fluctuation theorem for emergent self-organizing dissipative systems. This approach bears the potential of general applicability.

Estimating the decomposition of predictive information in multivariate systems

NASA Astrophysics Data System (ADS)

Faes, Luca; Kugiumtzis, Dimitris; Nollo, Giandomenico; Jurysta, Fabrice; Marinazzo, Daniele

2015-03-01

In the study of complex systems from observed multivariate time series, insight into the evolution of one system may be under investigation, which can be explained by the information storage of the system and the information transfer from other interacting systems. We present a framework for the model-free estimation of information storage and information transfer computed as the terms composing the predictive information about the target of a multivariate dynamical process. The approach tackles the curse of dimensionality employing a nonuniform embedding scheme that selects progressively, among the past components of the multivariate process, only those that contribute most, in terms of conditional mutual information, to the present target process. Moreover, it computes all information-theoretic quantities using a nearest-neighbor technique designed to compensate the bias due to the different dimensionality of individual entropy terms. The resulting estimators of prediction entropy, storage entropy, transfer entropy, and partial transfer entropy are tested on simulations of coupled linear stochastic and nonlinear deterministic dynamic processes, demonstrating the superiority of the proposed approach over the traditional estimators based on uniform embedding. The framework is then applied to multivariate physiologic time series, resulting in physiologically well-interpretable information decompositions of cardiovascular and cardiorespiratory interactions during head-up tilt and of joint brain-heart dynamics during sleep.

Lattice Vibrations Boost Demagnetization Entropy in Shape Memory Alloy

DOE PAGES

Stonaha, Paul J.; Manley, Michael E.; Bruno, Nick; ...

2015-10-07

Magnetocaloric (MC) materials present an avenue for chemical-free, solid state refrigeration through cooling via adiabatic demagnetization. We have used inelastic neutron scattering to measure the lattice dynamics in the MC material Ni 45Co 5Mn 36.6In 13.4. Upon heating across TC, the material exhibits an anomalous increase in phonon entropy of 0.17 0.04 k_B/atom, which is nine times larger than expected from conventional thermal expansion. We find that the phonon softening is focused in a transverse optic phonon, and we present the results of first-principle calculations which predict a strong coupling between lattice distortions and magnetic excitations.

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

Liu, Maoyuan; Besford, Quinn Alexander; Mulvaney, Thomas

The entropy of hydrophobic solvation has been explained as the result of ordered solvation structures, of hydrogen bonds, of the small size of the water molecule, of dispersion forces, and of solvent density fluctuations. We report a new approach to the calculation of the entropy of hydrophobic solvation, along with tests of and comparisons to several other methods. The methods are assessed in the light of the available thermodynamic and spectroscopic information on the effects of temperature on hydrophobic solvation. Five model hydrophobes in SPC/E water give benchmark solvation entropies via Widom’s test-particle insertion method, and other methods and modelsmore » are tested against these particle-insertion results. Entropies associated with distributions of tetrahedral order, of electric field, and of solvent dipole orientations are examined. We find these contributions are small compared to the benchmark particle-insertion entropy. Competitive with or better than other theories in accuracy, but with no free parameters, is the new estimate of the entropy contributed by correlations between dipole moments. Dipole correlations account for most of the hydrophobic solvation entropy for all models studied and capture the distinctive temperature dependence seen in thermodynamic and spectroscopic experiments. Entropies based on pair and many-body correlations in number density approach the correct magnitudes but fail to describe temperature and size dependences, respectively. Hydrogen-bond definitions and free energies that best reproduce entropies from simulations are reported, but it is difficult to choose one hydrogen bond model that fits a variety of experiments. The use of information theory, scaled-particle theory, and related methods is discussed briefly. Our results provide a test of the Frank-Evans hypothesis that the negative solvation entropy is due to structured water near the solute, complement the spectroscopic detection of that solvation structure by identifying the structural feature responsible for the entropy change, and point to a possible explanation for the observed dependence on length scale. Our key results are that the hydrophobic effect, i.e. the signature, temperature-dependent, solvation entropy of nonpolar molecules in water, is largely due to a dispersion force arising from correlations between rotating permanent dipole moments, that the strength of this force depends on the Kirkwood g-factor, and that the strength of this force may be obtained exactly without simulation.« less

Enzyme catalysis by entropy without Circe effect.

PubMed

Kazemi, Masoud; Himo, Fahmi; Åqvist, Johan

2016-03-01

Entropic effects have often been invoked to explain the extraordinary catalytic power of enzymes. In particular, the hypothesis that enzymes can use part of the substrate-binding free energy to reduce the entropic penalty associated with the subsequent chemical transformation has been very influential. The enzymatic reaction of cytidine deaminase appears to be a distinct example. Here, substrate binding is associated with a significant entropy loss that closely matches the activation entropy penalty for the uncatalyzed reaction in water, whereas the activation entropy for the rate-limiting catalytic step in the enzyme is close to zero. Herein, we report extensive computer simulations of the cytidine deaminase reaction and its temperature dependence. The energetics of the catalytic reaction is first evaluated by density functional theory calculations. These results are then used to parametrize an empirical valence bond description of the reaction, which allows efficient sampling by molecular dynamics simulations and computation of Arrhenius plots. The thermodynamic activation parameters calculated by this approach are in excellent agreement with experimental data and indeed show an activation entropy close to zero for the rate-limiting transition state. However, the origin of this effect is a change of reaction mechanism compared the uncatalyzed reaction. The enzyme operates by hydroxide ion attack, which is intrinsically associated with a favorable activation entropy. Hence, this has little to do with utilization of binding free energy to pay the entropic penalty but rather reflects how a preorganized active site can stabilize a reaction path that is not operational in solution.

Enzyme catalysis by entropy without Circe effect

PubMed Central

Kazemi, Masoud; Himo, Fahmi; Åqvist, Johan

2016-01-01

Entropic effects have often been invoked to explain the extraordinary catalytic power of enzymes. In particular, the hypothesis that enzymes can use part of the substrate-binding free energy to reduce the entropic penalty associated with the subsequent chemical transformation has been very influential. The enzymatic reaction of cytidine deaminase appears to be a distinct example. Here, substrate binding is associated with a significant entropy loss that closely matches the activation entropy penalty for the uncatalyzed reaction in water, whereas the activation entropy for the rate-limiting catalytic step in the enzyme is close to zero. Herein, we report extensive computer simulations of the cytidine deaminase reaction and its temperature dependence. The energetics of the catalytic reaction is first evaluated by density functional theory calculations. These results are then used to parametrize an empirical valence bond description of the reaction, which allows efficient sampling by molecular dynamics simulations and computation of Arrhenius plots. The thermodynamic activation parameters calculated by this approach are in excellent agreement with experimental data and indeed show an activation entropy close to zero for the rate-limiting transition state. However, the origin of this effect is a change of reaction mechanism compared the uncatalyzed reaction. The enzyme operates by hydroxide ion attack, which is intrinsically associated with a favorable activation entropy. Hence, this has little to do with utilization of binding free energy to pay the entropic penalty but rather reflects how a preorganized active site can stabilize a reaction path that is not operational in solution. PMID:26755610

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

PubMed Central

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

2015-01-01

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

Phase stability and microstructures of high entropy alloys ion irradiated to high doses

NASA Astrophysics Data System (ADS)

Xia, Songqin; Gao, Michael C.; Yang, Tengfei; Liaw, Peter K.; Zhang, Yong

2016-11-01

The microstructures of AlxCoCrFeNi (x = 0.1, 0.75 and 1.5 in molar ratio) high entropy alloys (HEAs) irradiated at room temperature with 3 MeV Au ions at the highest fluence of 105, 91, and 81 displacement per atom, respectively, were studied. Transmission electron microscopy (TEM) and high-resolution TEM (HRTEM) analyses show that the initial microstructures and phase composition of all three alloys are retained after ion irradiation and no phase decomposition is observed. Furthermore, it is demonstrated that the disordered face-centered cubic (FCC) and disordered body-centered cubic (BCC) phases show much less defect cluster formation and structural damage than the NiAl-type ordered B2 phase. This effect is explained by higher entropy of mixing, higher defect formation/migration energies, substantially lower thermal conductivity, and higher atomic level stress in the disordered phases.

Role of entropy in the ground state formation of frustrated systems

NASA Astrophysics Data System (ADS)

Sereni, Julian G.

2018-05-01

The absence of magnetic order in Rare Earth-based frustrated compounds allows to recognize the action of the third law of thermodynamics in the low temperature behavior of those systems. One of the most relevant findings is the appearance of a coincident specific heat Cm / T|T→0 ≈ 7 J /molK2 'plateau' in six Yb systems. This characteristic feature occurs after a systematic modification of the thermal trajectory of their entropies Sm (T) in the range of a few hundred milikelvin degrees. Such behavior is explained by the formation of an entropy-bottleneck imposed by the third law constraint (Sm|T→0 ≥ 0), that drives the system into alternative ground states. Based in these finding, three possible approaches to the Sm|T→0 limit observed in real systems are analyzed in terms of the ∂2Sm / ∂T2 dependencies.

Reduced nocturnal ACTH-driven cortisol secretion during critical illness

PubMed Central

Boonen, Eva; Meersseman, Philippe; Vervenne, Hilke; Meyfroidt, Geert; Guïza, Fabian; Wouters, Pieter J.; Veldhuis, Johannes D.

2014-01-01

Recently, during critical illness, cortisol metabolism was found to be reduced. We hypothesize that such reduced cortisol breakdown may suppress pulsatile ACTH and cortisol secretion via feedback inhibition. To test this hypothesis, nocturnal ACTH and cortisol secretory profiles were constructed by deconvolution analysis from plasma concentration time series in 40 matched critically ill patients and eight healthy controls, excluding diseases or drugs that affect the hypothalamic-pituitary-adrenal axis. Blood was sampled every 10 min between 2100 and 0600 to quantify plasma concentrations of ACTH and (free) cortisol. Approximate entropy, an estimation of process irregularity, cross-approximate entropy, a measure of ACTH-cortisol asynchrony, and ACTH-cortisol dose-response relationships were calculated. Total and free plasma cortisol concentrations were higher at all times in patients than in controls (all P < 0.04). Pulsatile cortisol secretion was 54% lower in patients than in controls (P = 0.005), explained by reduced cortisol burst mass (P = 0.03), whereas cortisol pulse frequency (P = 0.35) and nonpulsatile cortisol secretion (P = 0.80) were unaltered. Pulsatile ACTH secretion was 31% lower in patients than in controls (P = 0.03), again explained by a lower ACTH burst mass (P = 0.02), whereas ACTH pulse frequency (P = 0.50) and nonpulsatile ACTH secretion (P = 0.80) were unchanged. ACTH-cortisol dose response estimates were similar in patients and controls. ACTH and cortisol approximate entropy were higher in patients (P ≤ 0.03), as was ACTH-cortisol cross-approximate entropy (P ≤ 0.001). We conclude that hypercortisolism during critical illness coincided with suppressed pulsatile ACTH and cortisol secretion and a normal ACTH-cortisol dose response. Increased irregularity and asynchrony of the ACTH and cortisol time series supported non-ACTH-dependent mechanisms driving hypercortisolism during critical illness. PMID:24569590

A Rigidifying Salt-Bridge Favors the Activity of Thermophilic Enzyme at High Temperatures at the Expense of Low-Temperature Activity

PubMed Central

Lam, Sonia Y.; Yeung, Rachel C. Y.; Yu, Tsz-Ha; Sze, Kong-Hung; Wong, Kam-Bo

2011-01-01

Background Thermophilic enzymes are often less active than their mesophilic homologues at low temperatures. One hypothesis to explain this observation is that the extra stabilizing interactions increase the rigidity of thermophilic enzymes and hence reduce their activity. Here we employed a thermophilic acylphosphatase from Pyrococcus horikoshii and its homologous mesophilic acylphosphatase from human as a model to study how local rigidity of an active-site residue affects the enzymatic activity. Methods and Findings Acylphosphatases have a unique structural feature that its conserved active-site arginine residue forms a salt-bridge with the C-terminal carboxyl group only in thermophilic acylphosphatases, but not in mesophilic acylphosphatases. We perturbed the local rigidity of this active-site residue by removing the salt-bridge in the thermophilic acylphosphatase and by introducing the salt-bridge in the mesophilic homologue. The mutagenesis design was confirmed by x-ray crystallography. Removing the salt-bridge in the thermophilic enzyme lowered the activation energy that decreased the activation enthalpy and entropy. Conversely, the introduction of the salt-bridge to the mesophilic homologue increased the activation energy and resulted in increases in both activation enthalpy and entropy. Revealed by molecular dynamics simulations, the unrestrained arginine residue can populate more rotamer conformations, and the loss of this conformational freedom upon the formation of transition state justified the observed reduction in activation entropy. Conclusions Our results support the conclusion that restricting the active-site flexibility entropically favors the enzymatic activity at high temperatures. However, the accompanying enthalpy-entropy compensation leads to a stronger temperature-dependency of the enzymatic activity, which explains the less active nature of the thermophilic enzymes at low temperatures. PMID:21423654

A rigidifying salt-bridge favors the activity of thermophilic enzyme at high temperatures at the expense of low-temperature activity.

PubMed

Lam, Sonia Y; Yeung, Rachel C Y; Yu, Tsz-Ha; Sze, Kong-Hung; Wong, Kam-Bo

2011-03-01

Thermophilic enzymes are often less active than their mesophilic homologues at low temperatures. One hypothesis to explain this observation is that the extra stabilizing interactions increase the rigidity of thermophilic enzymes and hence reduce their activity. Here we employed a thermophilic acylphosphatase from Pyrococcus horikoshii and its homologous mesophilic acylphosphatase from human as a model to study how local rigidity of an active-site residue affects the enzymatic activity. Acylphosphatases have a unique structural feature that its conserved active-site arginine residue forms a salt-bridge with the C-terminal carboxyl group only in thermophilic acylphosphatases, but not in mesophilic acylphosphatases. We perturbed the local rigidity of this active-site residue by removing the salt-bridge in the thermophilic acylphosphatase and by introducing the salt-bridge in the mesophilic homologue. The mutagenesis design was confirmed by x-ray crystallography. Removing the salt-bridge in the thermophilic enzyme lowered the activation energy that decreased the activation enthalpy and entropy. Conversely, the introduction of the salt-bridge to the mesophilic homologue increased the activation energy and resulted in increases in both activation enthalpy and entropy. Revealed by molecular dynamics simulations, the unrestrained arginine residue can populate more rotamer conformations, and the loss of this conformational freedom upon the formation of transition state justified the observed reduction in activation entropy. Our results support the conclusion that restricting the active-site flexibility entropically favors the enzymatic activity at high temperatures. However, the accompanying enthalpy-entropy compensation leads to a stronger temperature-dependency of the enzymatic activity, which explains the less active nature of the thermophilic enzymes at low temperatures.

Music viewed by its entropy content: A novel window for comparative analysis

PubMed Central

Febres, Gerardo; Jaffe, Klaus

2017-01-01

Polyphonic music files were analyzed using the set of symbols that produced the Minimal Entropy Description, which we call the Fundamental Scale. This allowed us to create a novel space to represent music pieces by developing: (a) a method to adjust a textual description from its original scale of observation to an arbitrarily selected scale, (b) a method to model the structure of any textual description based on the shape of the symbol frequency profiles, and (c) the concept of higher order entropy as the entropy associated with the deviations of a frequency-ranked symbol profile from a perfect Zipfian profile. We call this diversity index the ‘2nd Order Entropy’. Applying these methods to a variety of musical pieces showed how the space of ‘symbolic specific diversity-entropy’ and that of ‘2nd order entropy’ captures characteristics that are unique to each music type, style, composer and genre. Some clustering of these properties around each musical category is shown. These methods allow us to visualize a historic trajectory of academic music across this space, from medieval to contemporary academic music. We show that the description of musical structures using entropy, symbol frequency profiles and specific symbolic diversity allows us to characterize traditional and popular expressions of music. These classification techniques promise to be useful in other disciplines for pattern recognition and machine learning. PMID:29040288

Permutation entropy and statistical complexity analysis of turbulence in laboratory plasmas and the solar wind.

PubMed

Weck, P J; Schaffner, D A; Brown, M R; Wicks, R T

2015-02-01

The Bandt-Pompe permutation entropy and the Jensen-Shannon statistical complexity are used to analyze fluctuating time series of three different turbulent plasmas: the magnetohydrodynamic (MHD) turbulence in the plasma wind tunnel of the Swarthmore Spheromak Experiment (SSX), drift-wave turbulence of ion saturation current fluctuations in the edge of the Large Plasma Device (LAPD), and fully developed turbulent magnetic fluctuations of the solar wind taken from the Wind spacecraft. The entropy and complexity values are presented as coordinates on the CH plane for comparison among the different plasma environments and other fluctuation models. The solar wind is found to have the highest permutation entropy and lowest statistical complexity of the three data sets analyzed. Both laboratory data sets have larger values of statistical complexity, suggesting that these systems have fewer degrees of freedom in their fluctuations, with SSX magnetic fluctuations having slightly less complexity than the LAPD edge I(sat). The CH plane coordinates are compared to the shape and distribution of a spectral decomposition of the wave forms. These results suggest that fully developed turbulence (solar wind) occupies the lower-right region of the CH plane, and that other plasma systems considered to be turbulent have less permutation entropy and more statistical complexity. This paper presents use of this statistical analysis tool on solar wind plasma, as well as on an MHD turbulent experimental plasma.

[Identification of coupling relationship between urbanization and ecological environment in Jilin from entropy change perspective].

PubMed

Sun, Ping-Jun; Xiu, Chun-Liang; Zhang, Tian-Jiao

2014-03-01

By using the entropy change equation of the second law of thermodynamics, entropy method and PSE model, this article made an analysis on coupling relationship between urbanization and ecological environment in Jilin Province from 2001 to 2011. In the study period, the urbanization development had been out of normal evolution track: The economic urbanization and space urbanization dominated the whole urbanization process, while population urbanization was neglected too seriously, with an apparent characteristic of extensive and inefficient input of resources (especially land resource). According to the levels of ecological environment on the basis of PSE model, not only the pressure index, sensitivity index and the elasticity index, but also the comprehensive index showed considerable growth with obvious stage characteristics: ascending-descending-ascending. The total entropy values of the urbanization were less than zero during the time, which meant an unstable rising curve. While the total trophy values of the ecological environment varied below and above zero, and 2003, 2006, 2010 and 2011 were the "turning points", reflecting the instability of the ecological environment. The coupling total entropy values between urbanization and ecological environment had the same characteristics with the ecological environment: the same "turning points" and shape of the curve, in which, the "turning points" corresponded to the type of antagonistic evolution pattern, while the rest of years responded to the type of coordination evolution pattern.

Cosmological perturbations in inflation and in de Sitter space

NASA Astrophysics Data System (ADS)

Pimentel, Guilherme Leite

This thesis focuses on various aspects of inflationary fluctuations. First, we study gravitational wave fluctuations in de Sitter space. The isometries of the spacetime constrain to a few parameters the Wheeler-DeWitt wavefunctional of the universe, to cubic order in fluctuations. At cubic order, there are three independent terms in the wavefunctional. From the point of view of the bulk action, one term corresponds to Einstein gravity, and a new term comes from a cubic term in the curvature tensor. The third term is a pure phase and does not give rise to a new shape for expectation values of graviton fluctuations. These results can be seen as the leading order non-gaussian contributions in a slow-roll expansion for inflationary observables. We also use the wavefunctional approach to explain a universal consistency condition of n-point expectation values in single field inflation. This consistency condition relates a soft limit of an n-point expectation value to ( n-1)-point expectation values. We show how these conditions can be easily derived from the wavefunctional point of view. Namely, they follow from the momentum constraint of general relativity, which is equivalent to the constraint of spatial diffeomorphism invariance. We also study expectation values beyond tree level. We show that subhorizon fluctuations in loop diagrams do not generate a mass term for superhorizon fluctuations. Such a mass term could spoil the predictivity of inflation, which is based on the existence of properly defined field variables that become constant once their wavelength is bigger than the size of the horizon. Such a mass term would be seen in the two point expectation value as a contribution that grows linearly with time at late times. The absence of this mass term is closely related to the soft limits studied in previous chapters. It is analogous to the absence of a mass term for the photon in quantum electrodynamics, due to gauge symmetry. Finally, we use the tools of holography and entanglement entropy to study superhorizon correlations in quantum field theories in de Sitter space. The entropy has interesting terms that have no equivalent in flat space field theories. These new terms are due to particle creation in an expanding universe. The entropy is calculated directly for free massive scalar theories. For theories with holographic duals, it is determined by the area of some extremal surface in the bulk geometry. We calculate the entropy for different classes of holographic duals. For one of these classes, the holographic dual geometry is an asymptotically Anti-de Sitter space that decays into a crunching cosmology, an open Friedmann-Robertson-Walker universe. The extremal surface used in the calculation of the entropy lies almost entirely on the slice of maximal scale factor of the crunching cosmology.

Entropy Methods For Univariate Distributions in Decision Analysis

NASA Astrophysics Data System (ADS)

Abbas, Ali E.

2003-03-01

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

Effects of radial distribution of entropy diffusivity on critical modes of anelastic thermal convection in rotating spherical shells

NASA Astrophysics Data System (ADS)

Sasaki, Youhei; Takehiro, Shin-ichi; Ishiwatari, Masaki; Yamada, Michio

2018-03-01

Linear stability analysis of anelastic thermal convection in a rotating spherical shell with entropy diffusivities varying in the radial direction is performed. The structures of critical convection are obtained in the cases of four different radial distributions of entropy diffusivity; (1) κ is constant, (2) κT0 is constant, (3) κρ0 is constant, and (4) κρ0T0 is constant, where κ is the entropy diffusivity, T0 is the temperature of basic state, and ρ0 is the density of basic state, respectively. The ratio of inner and outer radii, the Prandtl number, the polytropic index, and the density ratio are 0.35, 1, 2, and 5, respectively. The value of the Ekman number is 10-3 or 10-5 . In the case of (1), where the setup is same as that of the anelastic dynamo benchmark (Jones et al., 2011), the structure of critical convection is concentrated near the outer boundary of the spherical shell around the equator. However, in the cases of (2), (3) and (4), the convection columns attach the inner boundary of the spherical shell. A rapidly rotating annulus model for anelastic systems is developed by assuming that convection structure is uniform in the axial direction taking into account the strong effect of Coriolis force. The annulus model well explains the characteristics of critical convection obtained numerically, such as critical azimuthal wavenumber, frequency, Rayleigh number, and the cylindrically radial location of convection columns. The radial distribution of entropy diffusivity, or more generally, diffusion properties in the entropy equation, is important for convection structure, because it determines the distribution of radial basic entropy gradient which is crucial for location of convection columns.

ATP-induced conformational changes of nucleotide-binding domains in an ABC transporter. Importance of the water-mediated entropic force.

PubMed

Hayashi, Tomohiko; Chiba, Shuntaro; Kaneta, Yusuke; Furuta, Tadaomi; Sakurai, Minoru

2014-11-06

ATP binding cassette (ABC) proteins belong to a superfamily of active transporters. Recent experimental and computational studies have shown that binding of ATP to the nucleotide binding domains (NBDs) of ABC proteins drives the dimerization of NBDs, which, in turn, causes large conformational changes within the transmembrane domains (TMDs). To elucidate the active substrate transport mechanism of ABC proteins, it is first necessary to understand how the NBD dimerization is driven by ATP binding. In this study, we selected MalKs (NBDs of a maltose transporter) as a representative NBD and calculated the free-energy change upon dimerization using molecular mechanics calculations combined with a statistical thermodynamic theory of liquids, as well as a method to calculate the translational, rotational, and vibrational entropy change. This combined method is applied to a large number of snapshot structures obtained from molecular dynamics simulations containing explicit water molecules. The results suggest that the NBD dimerization proceeds with a large gain of water entropy when ATP molecules bind to the NBDs. The energetic gain arising from direct NBD-NBD interactions is canceled by the dehydration penalty and the configurational-entropy loss. ATP hydrolysis induces a loss of the shape complementarity between the NBDs, which leads to the dissociation of the dimer, due to a decrease in the water-entropy gain and an increase in the configurational-entropy loss. This interpretation of the NBD dimerization mechanism in concert with ATP, especially focused on the water-mediated entropy force, is potentially applicable to a wide variety of the ABC transporters.

Signatures of Solvation Thermodynamics in Spectra of Intermolecular Vibrations

PubMed Central

2017-01-01

This study explores the thermodynamic and vibrational properties of water in the three-dimensional environment of solvated ions and small molecules using molecular simulations. The spectrum of intermolecular vibrations in liquid solvents provides detailed information on the shape of the local potential energy surface, which in turn determines local thermodynamic properties such as the entropy. Here, we extract this information using a spatially resolved extension of the two-phase thermodynamics method to estimate hydration water entropies based on the local vibrational density of states (3D-2PT). Combined with an analysis of solute–water and water–water interaction energies, this allows us to resolve local contributions to the solvation enthalpy, entropy, and free energy. We use this approach to study effects of ions on their surrounding water hydrogen bond network, its spectrum of intermolecular vibrations, and resulting thermodynamic properties. In the three-dimensional environment of polar and nonpolar functional groups of molecular solutes, we identify distinct hydration water species and classify them by their characteristic vibrational density of states and molecular entropies. In each case, we are able to assign variations in local hydration water entropies to specific changes in the spectrum of intermolecular vibrations. This provides an important link for the thermodynamic interpretation of vibrational spectra that are accessible to far-infrared absorption and Raman spectroscopy experiments. Our analysis provides unique microscopic details regarding the hydration of hydrophobic and hydrophilic functional groups, which enable us to identify interactions and molecular degrees of freedom that determine relevant contributions to the solvation entropy and consequently the free energy. PMID:28783431

Thermodynamics--A Practical Subject.

ERIC Educational Resources Information Center

Jones, Hugh G.

1984-01-01

Provides a simplified, synoptic overview of the area of thermodynamics, enumerating and explaining the four basic laws, and introducing the mathematics involved in a stepwise fashion. Discusses such basic tools of thermodynamics as enthalpy, entropy, Helmholtz free energy, and Gibbs free energy, and their uses in problem solving. (JM)

Black hole thermodynamics from Euclidean horizon constraints.

PubMed

Carlip, S

2007-07-13

To explain black hole thermodynamics in quantum gravity, one must introduce constraints to ensure that a black hole is actually present. I show that for a large class of black holes, such "horizon constraints" allow the use of conformal field theory techniques to compute the density of states, reproducing the Bekenstein-Hawking entropy in a nearly model-independent manner. One standard string theory approach to black hole entropy arises as a special case, lending support to the claim that the mechanism may be "universal." I argue that the relevant degrees of freedom are Goldstone-boson-like excitations arising from the weak breaking of symmetry by the constraints.

Evidence for surprise minimization over value maximization in choice behavior

PubMed Central

Schwartenbeck, Philipp; FitzGerald, Thomas H. B.; Mathys, Christoph; Dolan, Ray; Kronbichler, Martin; Friston, Karl

2015-01-01

Classical economic models are predicated on the idea that the ultimate aim of choice is to maximize utility or reward. In contrast, an alternative perspective highlights the fact that adaptive behavior requires agents’ to model their environment and minimize surprise about the states they frequent. We propose that choice behavior can be more accurately accounted for by surprise minimization compared to reward or utility maximization alone. Minimizing surprise makes a prediction at variance with expected utility models; namely, that in addition to attaining valuable states, agents attempt to maximize the entropy over outcomes and thus ‘keep their options open’. We tested this prediction using a simple binary choice paradigm and show that human decision-making is better explained by surprise minimization compared to utility maximization. Furthermore, we replicated this entropy-seeking behavior in a control task with no explicit utilities. These findings highlight a limitation of purely economic motivations in explaining choice behavior and instead emphasize the importance of belief-based motivations. PMID:26564686

Adsorption of nicotine from aqueous solution onto hydrophobic zeolite type USY

NASA Astrophysics Data System (ADS)

Lazarevic, Natasa; Adnadjevic, Borivoj; Jovanovic, Jelena

2011-07-01

The isothermal adsorption of nicotine from an aqueous solution onto zeolite type USY was investigated. The adsorption isotherms of nicotine onto the zeolite at different temperatures ranging from 298 to 322 K were determined. It was found that the adsorption isotherms can be described by the model of Freundlich adsorption isotherm. Based on the adsorption isotherms the changes of adsorption heat, free energy and entropy with adsorption degree were determined. The determined decrease of adsorption heat with adsorption degree can be explained by the presence of the adsorption centers of different energy and concentration on interface of zeolite-nicotine solution. It was found that the probability function of density distribution of the heat of adsorption (DDF) has exponential form. It was concluded that the possibility of fitting the adsorption isotherms of nicotine onto the zeolite by Freundlich adsorption isotherm was a direct consequence of that. The determined increase in entropy with the increase in adsorption degree can be explained with the change of phase state of adsorbed nicotine.

Higher-n triangular dilatonic black holes

NASA Astrophysics Data System (ADS)

Zadora, Anton; Gal'tsov, Dmitri V.; Chen, Chiang-Mei

2018-04-01

Dilaton gravity with the form fields is known to possess dyon solutions with two horizons for the discrete "triangular" values of the dilaton coupling constant a =√{ n (n + 1) / 2 }. This sequence first obtained numerically and then explained analytically as consequence of the regularity of the dilaton, should have some higher-dimensional and/or group theoretical origin. Meanwhile, this origin was explained earlier only for n = 1 , 2 in which cases the solutions were known analytically. We extend this explanation to n = 3 , 5 presenting analytical triangular solutions for the theory with different dilaton couplings a , b in electric and magnetic sectors in which case the quantization condition reads ab = n (n + 1) / 2. The solutions are derived via the Toda chains for B2 and G2 Lie algebras. They are found in the closed form in general D space-time dimensions. Solutions satisfy the entropy product rules indicating on the microscopic origin of their entropy and have negative binding energy in the extremal case.

Directionally Interacting Spheres and Rods Form Ordered Phases

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

Liu, Wenyan; Mahynski, Nathan A.; Gang, Oleg

The structures formed by mixtures of dissimilarly shaped nanoscale objects can significantly enhance our ability to produce nanoscale architectures. However, understanding their formation is a complex problem due to the interplay of geometric effects (entropy) and energetic interactions at the nanoscale. Spheres and rods are perhaps the most basic geometrical shapes and serve as convenient models of such dissimilar objects. The ordered phases formed by each of these individual shapes have already been explored, but, when mixed, spheres and rods have demonstrated only limited structural organization to date. We show using experiments and theory that the introduction of directional attractionsmore » between rod ends and isotropically interacting spherical nanoparticles (NPs) through DNA base pairing leads to the formation of ordered three-dimensional lattices. The spheres and rods arrange themselves in a complex alternating manner, where the spheres can form either a face-centered cubic (FCC) or hexagonal close-packed (HCP) lattice, or a disordered phase, as observed by in situ X-ray scattering. Increasing NP diameter at fixed rod length yields an initial transition from a disordered phase to the HCP crystal, energetically stabilized by rod-rod attraction across alternating crystal layers, as revealed by theory. In the limit of large NPs, the FCC structure is instead stabilized over the HCP by rod entropy. Thus, we propose that directionally specific attractions in mixtures of anisotropic and isotropic objects offer insight into unexplored self-assembly behavior of noncomplementary shaped particles.« less

Directionally Interacting Spheres and Rods Form Ordered Phases

DOE PAGES

Liu, Wenyan; Mahynski, Nathan A.; Gang, Oleg; ...

2017-05-10

The structures formed by mixtures of dissimilarly shaped nanoscale objects can significantly enhance our ability to produce nanoscale architectures. However, understanding their formation is a complex problem due to the interplay of geometric effects (entropy) and energetic interactions at the nanoscale. Spheres and rods are perhaps the most basic geometrical shapes and serve as convenient models of such dissimilar objects. The ordered phases formed by each of these individual shapes have already been explored, but, when mixed, spheres and rods have demonstrated only limited structural organization to date. We show using experiments and theory that the introduction of directional attractionsmore » between rod ends and isotropically interacting spherical nanoparticles (NPs) through DNA base pairing leads to the formation of ordered three-dimensional lattices. The spheres and rods arrange themselves in a complex alternating manner, where the spheres can form either a face-centered cubic (FCC) or hexagonal close-packed (HCP) lattice, or a disordered phase, as observed by in situ X-ray scattering. Increasing NP diameter at fixed rod length yields an initial transition from a disordered phase to the HCP crystal, energetically stabilized by rod-rod attraction across alternating crystal layers, as revealed by theory. In the limit of large NPs, the FCC structure is instead stabilized over the HCP by rod entropy. Thus, we propose that directionally specific attractions in mixtures of anisotropic and isotropic objects offer insight into unexplored self-assembly behavior of noncomplementary shaped particles.« less

Lattice vibrations boost demagnetization entropy in a shape-memory alloy

NASA Astrophysics Data System (ADS)

Stonaha, P. J.; Manley, M. E.; Bruno, N. M.; Karaman, I.; Arroyave, R.; Singh, N.; Abernathy, D. L.; Chi, S.

2015-10-01

Magnetocaloric (MC) materials present an avenue for chemical-free, solid-state refrigeration through cooling via adiabatic demagnetization. We have used inelastic neutron scattering to measure the lattice dynamics in the MC material N i45C o5M n36.6I n13.4 . Upon heating across the Curie temperature (TC) , the material exhibits an anomalous increase in phonon entropy of 0.22 ±0.04 kB/atom , which is ten times larger than expected from conventional thermal expansion. This transition is accompanied by an abrupt softening of the transverse optic phonon. We present first-principles calculations showing a strong coupling between lattice distortions and magnetic excitations.

Isoflurane and Ketamine Anesthesia have Different Effects on Ventilatory Pattern Variability in Rats

PubMed Central

Chung, Augustine; Fishman, Mikkel; Dasenbrook, Elliot C.; Loparo, Kenneth A.; Dick, Thomas E.; Jacono, Frank J.

2013-01-01

We hypothesize that isoflurane and ketamine impact ventilatory pattern variability (VPV) differently. Adult Sprague-Dawley rats were recorded in a whole-body plethysmograph before, during and after deep anesthesia. VPV was quantified from 60-s epochs using a complementary set of analytic techniques that included constructing surrogate data sets that preserved the linear structure but disrupted nonlinear deterministic properties of the original data. Even though isoflurane decreased and ketamine increased respiratory rate, VPV as quantified by the coefficient of variation decreased for both anesthetics. Further, mutual information increased and sample entropy decreased and the nonlinear complexity index (NLCI) increased during anesthesia despite qualitative differences in the shape and period of the waveform. Surprisingly mutual information and sample entropy did not change in the surrogate sets constructed from isoflurane data, but in those constructed from ketamine data, mutual information increased and sample entropy decreased significantly in the surrogate segments constructed from anesthetized relative to unanesthetized epochs. These data suggest that separate mechanisms modulate linear and nonlinear variability of breathing. PMID:23246800

Spectroscopy of the Perseus Cluster

NASA Technical Reports Server (NTRS)

Jones, Christine; Mushotzky, Richard F. (Technical Monitor)

2004-01-01

We present preliminary results of a XMM-Newton 50 ks observation of the Perseus Cluster that provides an unprecedented view of the central 0.5 Mpc region. The projected gas temperature declines smoothly by a factor of 2 from a maximum value of approx. 7 keV in the outer regions to just above 3 keV at the cluster center. Over this same range, the heavy-element abundance rises slowly from 0.4 to 0.5 solar as the radius decreases from 14 ft. to 5 ft., and then it rises to a peak of almost 0.7 solar at 1&farcm;25 before declining to 0.4 at the center. Th global east-west asymmetry of the gas temperature and surface brightness distributions, approximately aligned with the chain of bright galaxies, suggests an ongoing merger, although the modest degree of the observed asymmetry certainly excludes a major merger interpretation. The chain of galaxies probably traces the filament along which accretion started some time ago and is continuing at the present time. A cold and dense (low-entropy) cluster core like Perseus is probably well "protected" against the penetration of the gas of infalling groups and poor clusters, whereas in non-cooling core clusters such as Coma and A1367, infalling subclusters can penetrate deeply into the core region. In Perseus, gas associated with infalling groups may be stripped completely at the outskirts of the main cluster and only compression waves (shocks) may reach the central regions. We argue, and show supporting simulations, that the passage of such a wave(s) can qualitatively explain the overall horseshoe shaped appearance of the gas temperature map (the hot horseshoe surrounds the colder, low-entropy core) as well as other features of the Perseus Cluster core. These simulations also show that as compression waves traverse the cluster core, they can induce oscillatory motion of the cluster gas that can generate multiple sharp "edges" on opposite sides of the central galaxy. Gas motions induced by mergers may be a natural way to explain the high frequency of "edges" seen in clusters with cooling cores.

How unitary cosmology generalizes thermodynamics and solves the inflationary entropy problem

NASA Astrophysics Data System (ADS)

Tegmark, Max

2012-06-01

We analyze cosmology assuming unitary quantum mechanics, using a tripartite partition into system, observer, and environment degrees of freedom. This generalizes the second law of thermodynamics to “The system’s entropy cannot decrease unless it interacts with the observer, and it cannot increase unless it interacts with the environment.” The former follows from the quantum Bayes theorem we derive. We show that because of the long-range entanglement created by cosmological inflation, the cosmic entropy decreases exponentially rather than linearly with the number of bits of information observed, so that a given observer can reduce entropy by much more than the amount of information her brain can store. Indeed, we argue that as long as inflation has occurred in a non-negligible fraction of the volume, almost all sentient observers will find themselves in a post-inflationary low-entropy Hubble volume, and we humans have no reason to be surprised that we do so as well, which solves the so-called inflationary entropy problem. An arguably worse problem for unitary cosmology involves gamma-ray-burst constraints on the “big snap,” a fourth cosmic doomsday scenario alongside the “big crunch,” “big chill,” and “big rip,” where an increasingly granular nature of expanding space modifies our life-supporting laws of physics. Our tripartite framework also clarifies when the popular quantum gravity approximation Gμν≈8πG⟨Tμν⟩ is valid, and how problems with recent attempts to explain dark energy as gravitational backreaction from superhorizon scale fluctuations can be understood as a failure of this approximation.

The How and Why of Chemical Reactions

ERIC Educational Resources Information Center

Schubert, Leo

1970-01-01

Presents a discussion of some of the fundamental concepts in thermodynamics and quantum mechanics including entropy, enthalpy, free energy, the partition function, chemical kinetics, transition state theory, the making and breaking of chemical bonds, electronegativity, ion sizes, intermolecular energies and of their role in explaining the nature…

Azimuthal anisotropy in U+U collisions at STAR

DOE PAGES

Wang, Hui; Sorensen, Paul

2014-10-06

The azimuthal anisotropy of particle production is commonly used in high-energy nuclear collisions to study the early evolution of the expanding system. The prolate shape of uranium nuclei makes it possible to study how the geometry of the colliding nuclei affects final state anisotropies. It also provides a unique opportunity to understand how entropy is produced in heavy ion collisions. In this paper, the two- and four- particle cumulant v 2 (v 2{2} and v 2{4}) from U+U collisions at √ sNN = 193 GeV and Au+Au collisions at √ sNN = 200 GeV for inclusive charged hadrons will bemore » presented. The STAR Zero Degree Calorimeters are used to select very central collisions. Differences were observed between the multiplicity dependence of v 2{2} for most central Au+Au and U+U collisions. The multiplicity dependence of v 2{2} in central collisions were compared to Monte Carlo Glauber model predictions and it was seen that this model cannot explain the present results. (auth)« less

Nonlinear dielectric spectroscopy in a fragile plastic crystal

NASA Astrophysics Data System (ADS)

Michl, M.; Bauer, Th.; Lunkenheimer, P.; Loidl, A.

2016-03-01

In this work we provide a thorough examination of the nonlinear dielectric properties of a succinonitrile-glutaronitrile mixture, representing one of the rare examples of a plastic crystal with fragile glassy dynamics. The detected alteration of the complex dielectric permittivity under high fields can be explained considering the heterogeneous nature of glassy dynamics and a field-induced variation of entropy. While the first mechanism was also found in structural glass formers, the latter effect seems to be more pronounced in plastic crystals. Moreover, the third harmonic component of the dielectric susceptibility is reported, revealing a hump-like spectral shape as predicted, e.g., within a model considering cooperative molecular dynamics. If assuming the validity of this model, one can deduce the temperature dependence of the number of correlated molecules Ncorr from these data. In accord with the fragile nature of the glass transition in this plastic crystal, we obtain a relatively strong temperature dependence of Ncorr, in contrast to the much weaker temperature dependence in plastic-crystalline cyclo-octanol, whose glass transition is of strong nature.

Configurational entropy as a lifetime predictor and pattern discriminator for oscillons

NASA Astrophysics Data System (ADS)

Gleiser, Marcelo; Stephens, Michelle; Sowinski, Damian

2018-05-01

Oscillons are long-lived, spherically symmetric, attractor scalar field configurations that emerge as certain field configurations evolve in time. It has been known for many years that there is a direct correlation between the initial configuration's shape and the resulting oscillon lifetime: a shape memory. In this paper, we use an information-entropic measure of spatial complexity known as differential configurational entropy (DCE) to obtain estimates of oscillon lifetimes in scalar field theories with symmetric and asymmetric double-well potentials. The time-dependent DCE is built from the Fourier transform of the two-point correlation function of the energy density of the scalar field configuration. We obtain a scaling law correlating oscillon lifetimes and measures obtained from its evolving DCE. For the symmetric double well, for example, we show that we can apply DCE to predict an oscillon's lifetime with an average accuracy of 6% or better. We also show that the DCE acts as a pattern discriminator, able to distinguish initial configurations that evolve into long-lived oscillons from other nonperturbative short-lived fluctuations.

Modular Hamiltonians for deformed half-spaces and the averaged null energy condition

DOE PAGES

Faulkner, Thomas; Leigh, Robert G.; Parrikar, Onkar; ...

2016-09-08

We study modular Hamiltonians corresponding to the vacuum state for deformed half-spaces in relativistic quantum field theories on R 1,d-1. We show that in addition to the usual boost generator, there is a contribution to the modular Hamiltonian at first order in the shape deformation, proportional to the integral of the null components of the stress tensor along the Rindler horizon. We use this fact along with monotonicity of relative entropy to prove the averaged null energy condition in Minkowski space-time. This subsequently gives a new proof of the Hofman-Maldacena bounds on the parameters appearing in CFT three-point functions. Ourmore » main technical advance involves adapting newly developed perturbative methods for calculating entanglement entropy to the problem at hand. Our methods were recently used to prove certain results on the shape dependence of entanglement in CFTs and here we generalize these results to excited states and real time dynamics. Finally, we discuss the AdS/CFT counterpart of this result, making connection with the recently proposed gravitational dual for modular Hamiltonians in holographic theories.« less

Modular Hamiltonians for deformed half-spaces and the averaged null energy condition

NASA Astrophysics Data System (ADS)

Faulkner, Thomas; Leigh, Robert G.; Parrikar, Onkar; Wang, Huajia

2016-09-01

We study modular Hamiltonians corresponding to the vacuum state for deformed half-spaces in relativistic quantum field theories on {{R}}^{1,d-1} . We show that in addition to the usual boost generator, there is a contribution to the modular Hamiltonian at first order in the shape deformation, proportional to the integral of the null components of the stress tensor along the Rindler horizon. We use this fact along with monotonicity of relative entropy to prove the averaged null energy condition in Minkowski space-time. This subsequently gives a new proof of the Hofman-Maldacena bounds on the parameters appearing in CFT three-point functions. Our main technical advance involves adapting newly developed perturbative methods for calculating entanglement entropy to the problem at hand. These methods were recently used to prove certain results on the shape dependence of entanglement in CFTs and here we generalize these results to excited states and real time dynamics. We also discuss the AdS/CFT counterpart of this result, making connection with the recently proposed gravitational dual for modular Hamiltonians in holographic theories.

Modular Hamiltonians for deformed half-spaces and the averaged null energy condition

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

Faulkner, Thomas; Leigh, Robert G.; Parrikar, Onkar

We study modular Hamiltonians corresponding to the vacuum state for deformed half-spaces in relativistic quantum field theories on R 1,d-1. We show that in addition to the usual boost generator, there is a contribution to the modular Hamiltonian at first order in the shape deformation, proportional to the integral of the null components of the stress tensor along the Rindler horizon. We use this fact along with monotonicity of relative entropy to prove the averaged null energy condition in Minkowski space-time. This subsequently gives a new proof of the Hofman-Maldacena bounds on the parameters appearing in CFT three-point functions. Ourmore » main technical advance involves adapting newly developed perturbative methods for calculating entanglement entropy to the problem at hand. Our methods were recently used to prove certain results on the shape dependence of entanglement in CFTs and here we generalize these results to excited states and real time dynamics. Finally, we discuss the AdS/CFT counterpart of this result, making connection with the recently proposed gravitational dual for modular Hamiltonians in holographic theories.« less

Cycling-Induced Changes in the Entropy Profiles of Lithium Cobalt Oxide Electrodes

DOE PAGES

Hudak, N. S.; Davis, L. E.; Nagasubramanian, G.

2014-12-09

Entropy profiles of lithium cobalt oxide (LiCoO2) electrodes were measured at various stages in the cycle life to examine performance degradation and cycling-induced changes, or lack thereof, in thermodynamics. LiCoO 2 electrodes were cycled at C/2 rate in half-cells (vs. lithium anodes) up to 20 cycles or C/5 rate in full cells (vs. MCMB anodes) up to 500 cycles. The electrodes were then subjected to entropy measurements (∂E/∂T, where E is open-circuit potential and T is temperature) in half-cells at regular intervals over the approximate range 0.5 ≤ x ≤ 1 in LixCoO 2. Despite significant losses in capacity uponmore » cycling, neither cycling rate resulted in any change to the overall shape of the entropy profile relative to an uncycled electrode, indicating retention of the basic LiCoO 2 structure, lithium insertion mechanism, and thermodynamics. This confirms that cycling-induced performance degradation in LiCoO 2 electrodes is primarily caused by kinetic barriers that increase with cycling. In the case of electrodes cycled at C/5, there was a subtle, quantitative, and gradual change in the entropy profile in the narrow potential range of the hexagonal-to-monoclinic phase transition. The observed change is indicative of a decrease in the intralayer lithium ordering that occurs at these potentials, and it demonstrates that a cyclinginduced structural disorder accompanies the kinetic degradation mechanisms.« less

Building a Foundation for Bioenergetics

ERIC Educational Resources Information Center

Hamori, Eugene

2002-01-01

To give students a lasting comprehension of bioenergetics, first such basics as heat, work, equilibrium, entropy, free energy, closed "versus" open systems, steady state, and reversibility should be explained to them in a meticulous manner, albeit with a minimal use of mathematical formulae. The unique feature of thermodynamics, that it does not…

Content and Context: Entropy Principle Experiments in a Course for Non-Science Students

ERIC Educational Resources Information Center

Bell, Jerry A.

1975-01-01

Describes an approach which begins with observations and systems familiar to the student and proceeds to develop and test models to explain them. Experimental topics include Brownian motion, a germinating cell, phase change of p-dichlorobenzene, extension and contraction of rubber, and an enzyme system. (GS)

Entanglement between random and clean quantum spin chains

NASA Astrophysics Data System (ADS)

Juhász, Róbert; Kovács, István A.; Roósz, Gergő; Iglói, Ferenc

2017-08-01

The entanglement entropy in clean, as well as in random quantum spin chains has a logarithmic size-dependence at the critical point. Here, we study the entanglement of composite systems that consist of a clean subsystem and a random subsystem, both being critical. In the composite, antiferromagnetic XX-chain with a sharp interface, the entropy is found to grow in a double-logarithmic fashion {{ S}}∼ \\ln\\ln(L) , where L is the length of the chain. We have also considered an extended defect at the interface, where the disorder penetrates into the homogeneous region in such a way that the strength of disorder decays with the distance l from the contact point as  ∼l-κ . For κ<1/2 , the entropy scales as {{ S}}(κ) ≃ \\frac{\\ln 2 (1-2κ)}{6}{\\ln L} , while for κ ≥slant 1/2 , when the extended interface defect is an irrelevant perturbation, we recover the double-logarithmic scaling. These results are explained through strong-disorder RG arguments.

Generalized Probabilistic Description of Noninteracting Identical Particles

NASA Astrophysics Data System (ADS)

Karczewski, Marcin; Markiewicz, Marcin; Kaszlikowski, Dagomir; Kurzyński, Paweł

2018-02-01

We investigate an operational description of identical noninteracting particles in multiports. In particular, we look for physically motivated restrictions that explain their bunching probabilities. We focus on a symmetric 3-port in which a triple of superquantum particles admitted by our generalized probabilistic framework would bunch with a probability of 3/4 . The bosonic bound of 2/3 can then be restored by imposing the additional requirement of product evolution of certain input states. These states are characterized by the fact that, much like product states, their entropy equals the sum of entropies of their one-particle substates. This principle is, however, not enough to exclude the possibility of superquantum particles in higher-order multiports.

Mechanical Properties of TiTaHfNbZr High-Entropy Alloy Coatings Deposited on NiTi Shape Memory Alloy Substrates

NASA Astrophysics Data System (ADS)

Motallebzadeh, A.; Yagci, M. B.; Bedir, E.; Aksoy, C. B.; Canadinc, D.

2018-04-01

TiTaHfNbZr high-entropy alloy (HEA) thin films with thicknesses of about 750 and 1500 nm were deposited on NiTi substrates by RF magnetron sputtering using TiTaHfNbZr equimolar targets. The thorough experimental analysis on microstructure and mechanical properties of deposited films revealed that the TiTaHfNbZr films exhibited amorphous and cauliflower-like structure, where grain size and surface roughness increased concomitant with film thickness. More importantly, the current findings demonstrate that the TiTaHfNbZr HEA films with mechanical properties of the same order as those of the NiTi substrate constitute promising biomedical coatings effective in preventing Ni release.

Mechanical Properties of TiTaHfNbZr High-Entropy Alloy Coatings Deposited on NiTi Shape Memory Alloy Substrates

NASA Astrophysics Data System (ADS)

Motallebzadeh, A.; Yagci, M. B.; Bedir, E.; Aksoy, C. B.; Canadinc, D.

2018-06-01

TiTaHfNbZr high-entropy alloy (HEA) thin films with thicknesses of about 750 and 1500 nm were deposited on NiTi substrates by RF magnetron sputtering using TiTaHfNbZr equimolar targets. The thorough experimental analysis on microstructure and mechanical properties of deposited films revealed that the TiTaHfNbZr films exhibited amorphous and cauliflower-like structure, where grain size and surface roughness increased concomitant with film thickness. More importantly, the current findings demonstrate that the TiTaHfNbZr HEA films with mechanical properties of the same order as those of the NiTi substrate constitute promising biomedical coatings effective in preventing Ni release.

Large and reversible inverse magnetocaloric effect in Ni48.1Co2.9Mn35.0In14.0 metamagnetic shape memory microwire

NASA Astrophysics Data System (ADS)

Qu, Y. H.; Cong, D. Y.; Chen, Z.; Gui, W. Y.; Sun, X. M.; Li, S. H.; Ma, L.; Wang, Y. D.

2017-11-01

High-performance magnetocaloric materials should have a large reversible magnetocaloric effect and good heat exchange capability. Here, we developed a Ni48.1Co2.9Mn35.0In14.0 metamagnetic shape memory microwire with a large and reversible inverse magnetocaloric effect. As compared to the bulk counterpart, the microwire shows a better combination of magnetostructural transformation parameters (magnetization difference across transformation ΔM, transformation entropy change ΔStr, thermal hysteresis ΔThys, and transformation interval ΔTint) and thus greatly reduced critical field required for complete and reversible magnetic-field-induced transformation. A strong and reversible metamagnetic transition occurred in the microwire, which facilitates the achievement of large reversible magnetoresponsive effects. Consequently, a large and reversible magnetic-field-induced entropy change ΔSm of 12.8 J kg-1 K-1 under 5 T was achieved in the microwire, which is the highest value reported heretofore in Ni-Mn-based magnetic shape memory wires. Furthermore, since microwires have a high surface/volume ratio, they exhibit very good heat exchange capability. The present Ni48.1Co2.9Mn35.0In14.0 microwire shows great potential for magnetic refrigeration. This study may stimulate further development of high-performance magnetocaloric wires for high-efficiency and environmentally friendly solid-state cooling.

Explaining Entropy responses after a noxious stimulus, with or without neuromuscular blocking agents, by means of the raw electroencephalographic and electromyographic characteristics.

PubMed

Aho, A J; Lyytikäinen, L-P; Yli-Hankala, A; Kamata, K; Jäntti, V

2011-01-01

Entropy™, an anaesthetic EEG monitoring method, yields two parameters: State Entropy (SE) and Response Entropy (RE). SE reflects the hypnotic level of the patient. RE covers also the EMG-dominant part of the frequency spectrum, reflecting the upper facial EMG response to noxious stimulation. We studied the EEG, EMG, and Entropy values before and after skin incision, and the effect of rocuronium on Entropy and EMG at skin incision during sevoflurane-nitrous oxide (N₂O) anaesthesia. Thirty-eight patients were anaesthetized with sevoflurane-N₂O or sevoflurane-N₂O-rocuronium. The biosignal was stored and analysed off-line to detect EEG patterns, EMG, and artifacts. The signal, its power spectrum, SE, RE, and RE-SE values were analysed before and after skin incision. The EEG arousal was classified as β (increase in over 8 Hz activity and decrease in under 4 Hz activity with a typical β pattern) or δ (increase in under 4 Hz activity with the characteristic rhythmic δ pattern and a decrease in over 8 Hz activity). The EEG arousal appeared in 17 of 19 and 15 of 19 patients (NS), and the EMG arousal in 0 of 19 and 13 of 19 patients (P<0.01) with and without rocuronium, respectively. Both β (n=30) and EMG arousals increased SE and RE. The δ arousal (n=2) decreased both SE and RE. A significant increase in RE-SE values was only seen in patients without rocuronium. During sevoflurane-N₂O anaesthesia, both EEG and EMG arousals were seen. β and δ arousals had opposite effects on the Entropy values. The EMG arousal was abolished by rocuronium at the train of four level 0/4.

Molecular dynamics analysis of the influence of Coulomb and van der Waals interactions on the work of adhesion at the solid-liquid interface

NASA Astrophysics Data System (ADS)

Surblys, Donatas; Leroy, Frédéric; Yamaguchi, Yasutaka; Müller-Plathe, Florian

2018-04-01

We investigated the solid-liquid work of adhesion of water on a model silica surface by molecular dynamics simulations, where a methodology previously developed to determine the work of adhesion through thermodynamic integration was extended to a system with long-range electrostatic interactions between solid and liquid. In agreement with previous studies, the work of adhesion increased when the magnitude of the surface polarity was increased. On the other hand, we found that when comparing two systems with and without solid-liquid electrostatic interactions, which were set to have approximately the same total solid-liquid interfacial energy, former had a significantly smaller work of adhesion and a broader distribution in the interfacial energies, which has not been previously reported in detail. This was explained by the entropy contribution to the adhesion free energy; i.e., the former with a broader energy distribution had a larger interfacial entropy than the latter. While the entropy contribution to the work of adhesion has already been known, as a work of adhesion itself is free energy, these results indicate that, contrary to common belief, wetting behavior such as the contact angle is not only governed by the interfacial energy but also significantly affected by the interfacial entropy. Finally, a new interpretation of interfacial entropy in the context of solid-liquid energy variance was offered, from which a fast way to qualitatively estimate the work of adhesion was also presented.

Groups and the Entropy Floor: XMM-Newton Observations of Two Groups

NASA Technical Reports Server (NTRS)

Mushotzky, R. F.; Figueroa-Feliciano, E.; Loewenstein, M.; Snowden, S. L.

2002-01-01

Using XMM-Newton spatially resolved X-ray imaging spectroscopy we obtain the temperature, density, entropy, gas mass, and total mass profiles for two groups of galaxies out to approximately 0.3 R(sub vir)(R(sub vir), the virial radius). Our density profiles agree well with those derived previously, and the temperature data are broadly consistent with previous results but are considerably more precise. Both of these groups are at the mass scale of 2x10(exp 13) M(solar mass), but have rather different properties. Both have considerably lower gas mass fractions at r < 0.3 R(sub vir), than the rich clusters. NGC2563, one of the least luminous groups for its X-ray temperature, has a very low gas mass fraction of approximately 0.004 inside 0.1 R(sub vir), which increases with radius. NGC4325, one of the most luminous groups at the same average temperature, has a higher gas mass fraction of 0.02. The entropy profiles and the absolute values of the entropy as a function of virial radius also differ, with NGC4325 having a value of approximately 100 keV cm(exp -2) and NGC2563 a value of approximately 300 keV cm(exp -2) at r approximately 0.1 R(sub vir). For both groups the profiles rise monotonically with radius and there is no sign of an entropy 'floor'. These results are inconsistent with pre-heating scenarios that have been developed to explain a possible entropy floor in groups, but are broadly consistent with models of structure formation that include the effects of heating and/or the cooling of the gas. The total entropy in these systems provides a strong constraint on all models of galaxy and group formation, and on the poorly defined feedback process that controls the transformation of gas into stars and thus the formation of structure in the universe.

Nature of the C2-methylation effect on the properties of imidazolium ionic liquids.

PubMed

Rodrigues, Ana S M C; Lima, Carlos F R A C; Coutinho, João A P; Santos, Luís M N B F

2017-02-15

Methylation at the C2 position of 1,3-disubstituted imidazolium-based ionic liquids (ILs) is one of the structural features that has gained attention due to its drastic impact on thermophysical and transport properties. Several hypotheses have been proposed to explain this effect but there is still much discrepancy. Aiming for the rationalization of the effects of these structural features on the properties of imidazolium ILs, we present a thermodynamic and computational study of two methylated ILs at the C2 position of imidazolium, [ 1 C 4 2 C 1 3 C 1 im][NTf 2 ] and [ 1 C 3 2 C 1 3 C 1 im][NTf 2 ]. The phase behaviour (glass transition and vaporization equilibrium) and computational studies of the anion rotation around the cation and ion pair interaction energies for both ILs were explored. The results have shown that C2-methylation has no impact on the enthalpy of vaporization. However, it decreases the entropy of vaporization, which is a consequence of the change in the ion pair dynamics that affects both the liquid and gas phases. In addition, the more hindered dynamics of the ion pair are also reflected in the increase in the glass transition temperature, T g . The entropic contribution of anion-around-cation rotation in the imidazolium [NTf 2 ] ILs was quantified experimentally by the comparative analysis of the entropy of vaporization, and computationally by the calculation of the entropies of hindered internal rotation. The global results exclude the existence of significant H-bonding in the C2-protonated (non-methylated) ILs and explain the C2-methylation effect in terms of reduced entropy of the ion pair in the liquid and gas phases. In light of these results, the C2-methylation effect is intrinsically entropic and originates from the more hindered anion-around-cation rotation as a consequence of the substitution of the -H with a bulkier -CH 3 group.

Comparative analysis of electric field influence on the quantum wells with different boundary conditions.: I. Energy spectrum, quantum information entropy and polarization.

PubMed

Olendski, Oleg

2015-04-01

Analytical solutions of the Schrödinger equation for the one-dimensional quantum well with all possible permutations of the Dirichlet and Neumann boundary conditions (BCs) in perpendicular to the interfaces uniform electric field [Formula: see text] are used for the comparative investigation of their interaction and its influence on the properties of the system. Limiting cases of the weak and strong voltages allow an easy mathematical treatment and its clear physical explanation; in particular, for the small [Formula: see text], the perturbation theory derives for all geometries a linear dependence of the polarization on the field with the BC-dependent proportionality coefficient being positive (negative) for the ground (excited) states. Simple two-level approximation elementary explains the negative polarizations as a result of the field-induced destructive interference of the unperturbed modes and shows that in this case the admixture of only the neighboring states plays a dominant role. Different magnitudes of the polarization for different BCs in this regime are explained physically and confirmed numerically. Hellmann-Feynman theorem reveals a fundamental relation between the polarization and the speed of the energy change with the field. It is proved that zero-voltage position entropies [Formula: see text] are BC independent and for all states but the ground Neumann level (which has [Formula: see text]) are equal to [Formula: see text] while the momentum entropies [Formula: see text] depend on the edge requirements and the level. Varying electric field changes position and momentum entropies in the opposite directions such that the entropic uncertainty relation is satisfied. Other physical quantities such as the BC-dependent zero-energy and zero-polarization fields are also studied both numerically and analytically. Applications to different branches of physics, such as ocean fluid dynamics and atmospheric and metallic waveguide electrodynamics, are discussed.

Dynamics of Representational Change: Entropy, Action, and Cognition

ERIC Educational Resources Information Center

Stephen, Damian G.; Dixon, James A.; Isenhower, Robert W.

2009-01-01

Explaining how the cognitive system can create new structures has been a major challenge for cognitive science. Self-organization from the theory of nonlinear dynamics offers an account of this remarkable phenomenon. Two studies provide an initial test of the hypothesis that the emergence of new cognitive structure follows the same universal…

Analysis of the GRNs Inference by Using Tsallis Entropy and a Feature Selection Approach

NASA Astrophysics Data System (ADS)

Lopes, Fabrício M.; de Oliveira, Evaldo A.; Cesar, Roberto M.

An important problem in the bioinformatics field is to understand how genes are regulated and interact through gene networks. This knowledge can be helpful for many applications, such as disease treatment design and drugs creation purposes. For this reason, it is very important to uncover the functional relationship among genes and then to construct the gene regulatory network (GRN) from temporal expression data. However, this task usually involves data with a large number of variables and small number of observations. In this way, there is a strong motivation to use pattern recognition and dimensionality reduction approaches. In particular, feature selection is specially important in order to select the most important predictor genes that can explain some phenomena associated with the target genes. This work presents a first study about the sensibility of entropy methods regarding the entropy functional form, applied to the problem of topology recovery of GRNs. The generalized entropy proposed by Tsallis is used to study this sensibility. The inference process is based on a feature selection approach, which is applied to simulated temporal expression data generated by an artificial gene network (AGN) model. The inferred GRNs are validated in terms of global network measures. Some interesting conclusions can be drawn from the experimental results, as reported for the first time in the present paper.

Metallization of vanadium dioxide driven by large phonon entropy

DOE PAGES

Budai, John D.; Hong, Jiawang; Manley, Michael E.; ...

2014-11-10

Phase competition underlies many remarkable and technologically important phenomena in transition-metal oxides. Vanadium dioxide exhibits a first-order metal-insulator transition (MIT) near room temperature, where conductivity is suppressed and the lattice changes from tetragonal to monoclinic on cooling. Ongoing attempts to explain this coupled structural and electronic transition begin with two classic starting points: a Peierls MIT driven by instabilities in electron-lattice dynamics versus a Mott MIT where strong electron-electron correlations drive charge localization1-10. A key-missing piece of the VO2 puzzle is the role of lattice vibrations. Moreover, a comprehensive thermodynamic treatment must integrate both entropic and energetic aspects of themore » transition. Our measurements establish that the entropy driving the MIT is dominated by strongly anharmonic phonons rather than electronic contributions, and provide a direct determination of phonon dispersions. Our calculations identify softer bonding as the origin of the large vibrational entropy stabilizing the metallic rutile phase. They further reveal how a balance between higher entropy in the metal and orbital-driven lower energy in the insulator fully describes the thermodynamic forces controlling the MIT. This study illustrates the critical role of anharmonic lattice dynamics in metal-oxide phase competition, and provides guidance for the predictive design of new materials.« less

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

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

Banerjee, Atreyee; Nandi, Manoj Kumar; Bhattacharyya, Sarika Maitra, E-mail: mb.sarika@ncl.res.in

2016-07-21

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 thismore » 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.« less

THE ANATOMY OF A LONG GAMMA-RAY BURST: A SIMPLE CLASSIFICATION SCHEME FOR THE EMISSION MECHANISM(S)

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

Bégué, D.; Burgess, J. Michael, E-mail: jamesb@kth.se, E-mail: damienb@kth.se

2016-03-20

Ultra-relativistic motion and efficient conversion of kinetic energy to radiation are required by gamma-ray burst (GRB) observations, yet they are difficult to simultaneously achieve. Three leading mechanisms have been proposed to explain the observed emission emanating from GRB outflows: radiation from either relativistic internal or external shocks, or thermal emission from a photosphere. Previous works were dedicated to independently treating these three mechanisms and arguing for a sole, unique origin of the prompt emission of GRBs. In contrast, herein, we first explain why all three models are valid mechanisms and that a contribution from each of them is expected inmore » the prompt phase. Additionally, we show that a single parameter, the dimensionless entropy of the GRB outflow, determines which mechanism contributes the most to the emission. More specifically, internal shocks dominate for low values of the dimensionless entropy, external shocks for intermediate values, and finally, photospheric emission for large values. We present a unified framework for the emission mechanisms of GRBs with easily testable predictions for each process.« less

The maximum entropy method of moments and Bayesian probability theory

NASA Astrophysics Data System (ADS)

Bretthorst, G. Larry

2013-08-01

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

Small-angle scattering of polychromatic X-rays: effects of bandwidth, spectral shape and high harmonics.

PubMed

Chen, Sen; Luo, Sheng Nian

2018-03-01

Polychromatic X-ray sources can be useful for photon-starved small-angle X-ray scattering given their high spectral fluxes. Their bandwidths, however, are 10-100 times larger than those using monochromators. To explore the feasibility, ideal scattering curves of homogeneous spherical particles for polychromatic X-rays are calculated and analyzed using the Guinier approach, maximum entropy and regularization methods. Monodisperse and polydisperse systems are explored. The influence of bandwidth and asymmetric spectra shape are explored via Gaussian and half-Gaussian spectra. Synchrotron undulator spectra represented by two undulator sources of the Advanced Photon Source are examined as an example, as regards the influence of asymmetric harmonic shape, fundamental harmonic bandwidth and high harmonics. The effects of bandwidth, spectral shape and high harmonics on particle size determination are evaluated quantitatively.

Small-angle scattering of polychromatic X-rays: effects of bandwidth, spectral shape and high harmonics

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

Chen, Sen; Luo, Sheng-Nian

Polychromatic X-ray sources can be useful for photon-starved small-angle X-ray scattering given their high spectral fluxes. Their bandwidths, however, are 10–100 times larger than those using monochromators. To explore the feasibility, ideal scattering curves of homogeneous spherical particles for polychromatic X-rays are calculated and analyzed using the Guinier approach, maximum entropy and regularization methods. Monodisperse and polydisperse systems are explored. The influence of bandwidth and asymmetric spectra shape are exploredviaGaussian and half-Gaussian spectra. Synchrotron undulator spectra represented by two undulator sources of the Advanced Photon Source are examined as an example, as regards the influence of asymmetric harmonic shape, fundamentalmore » harmonic bandwidth and high harmonics. The effects of bandwidth, spectral shape and high harmonics on particle size determination are evaluated quantitatively.« less

Development of B2 Shape Memory Intermetallics Beyond NiAl, CoNiAl and CoNiGa

NASA Astrophysics Data System (ADS)

Gerstein, G.; Firstov, G. S.; Kosorukova, T. A.; Koval, Yu. N.; Maier, H. J.

2018-06-01

The present study describes the development of shape memory alloys based on NiAl. Initially, this system was considered a promising but unsuccessful neighbour of NiTi. Later, however, shape memory alloys like CoNiAl or CoNiGa were developed that can be considered as NiAl derivatives and already demonstrated good mechanical properties. Yet, these alloys were still inferior to NiTi in most respects. Lately, using a multi-component approach, a CoNiCuAlGaIn high entropy intermetallic compound was developed from the NiAl prototype. This new alloy featured a B2 phase and a martensitic transformation along with a remarkable strength in the as-cast state. In the long-term, this new approach might led to a breakthrough for shape memory alloys in general.

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

Chen, Sen; Luo, Sheng-Nian

Polychromatic X-ray sources can be useful for photon-starved small-angle X-ray scattering given their high spectral fluxes. Their bandwidths, however, are 10–100 times larger than those using monochromators. To explore the feasibility, ideal scattering curves of homogeneous spherical particles for polychromatic X-rays are calculated and analyzed using the Guinier approach, maximum entropy and regularization methods. Monodisperse and polydisperse systems are explored. The influence of bandwidth and asymmetric spectra shape are exploredviaGaussian and half-Gaussian spectra. Synchrotron undulator spectra represented by two undulator sources of the Advanced Photon Source are examined as an example, as regards the influence of asymmetric harmonic shape, fundamentalmore » harmonic bandwidth and high harmonics. The effects of bandwidth, spectral shape and high harmonics on particle size determination are evaluated quantitatively.« less

Excellent glass forming ability and plasticity in high entropy Zr20Ti20Hf20M20Be20 (M = Cu, Ni, Co) alloys

NASA Astrophysics Data System (ADS)

Zong, Haitao; Geng, Chenchen; Kang, Chaoyang; Cao, Guohua; Bian, Linyan; Li, Lixin; Zhang, Baoqing; Li, Ming

2018-03-01

We reported here the studies of a series of Zr20Ti20Hf20M20Be20 (M = Cu, Ni and Co) quinary high entropy bulk metallic glasses. Glasses with critical diameters (Dc) of 3 mm, 8 mm and 5 mm, respectively has been successfully fabricated by copper mold casting. Strikingly, a plastic strain of 11.6% is achieved in the Zr20Ti20Hf20Cu20Be20 metallic glass. The dynamic fragility the Zr20Ti20Hf20Cu20Be20 alloy is determined from calorimetric measurements. The excellent plasticity is explained to be attributed to relatively higher fragility.

Models, Entropy and Information of Temporal Social Networks

NASA Astrophysics Data System (ADS)

Zhao, Kun; Karsai, Márton; Bianconi, Ginestra

Temporal social networks are characterized by heterogeneous duration of contacts, which can either follow a power-law distribution, such as in face-to-face interactions, or a Weibull distribution, such as in mobile-phone communication. Here we model the dynamics of face-to-face interaction and mobile phone communication by a reinforcement dynamics, which explains the data observed in these different types of social interactions. We quantify the information encoded in the dynamics of these networks by the entropy of temporal networks. Finally, we show evidence that human dynamics is able to modulate the information present in social network dynamics when it follows circadian rhythms and when it is interfacing with a new technology such as the mobile-phone communication technology.

Thermodynamic Model of Spatial Memory

NASA Astrophysics Data System (ADS)

Kaufman, Miron; Allen, P.

1998-03-01

We develop and test a thermodynamic model of spatial memory. Our model is an application of statistical thermodynamics to cognitive science. It is related to applications of the statistical mechanics framework in parallel distributed processes research. Our macroscopic model allows us to evaluate an entropy associated with spatial memory tasks. We find that older adults exhibit higher levels of entropy than younger adults. Thurstone's Law of Categorical Judgment, according to which the discriminal processes along the psychological continuum produced by presentations of a single stimulus are normally distributed, is explained by using a Hooke spring model of spatial memory. We have also analyzed a nonlinear modification of the ideal spring model of spatial memory. This work is supported by NIH/NIA grant AG09282-06.

Nonlinear Analysis of Surface EMG Time Series of Back Muscles

NASA Astrophysics Data System (ADS)

Dolton, Donald C.; Zurcher, Ulrich; Kaufman, Miron; Sung, Paul

2004-10-01

A nonlinear analysis of surface electromyography time series of subjects with and without low back pain is presented. The mean-square displacement and entropy shows anomalous diffusive behavior on intermediate time range 10 ms < t < 1 s. This behavior implies the presence of correlations in the signal. We discuss the shape of the power spectrum of the signal.

Robust active contour via additive local and global intensity information based on local entropy

NASA Astrophysics Data System (ADS)

Yuan, Shuai; Monkam, Patrice; Zhang, Feng; Luan, Fangjun; Koomson, Ben Alfred

2018-01-01

Active contour-based image segmentation can be a very challenging task due to many factors such as high intensity inhomogeneity, presence of noise, complex shape, weak boundaries objects, and dependence on the position of the initial contour. We propose a level set-based active contour method to segment complex shape objects from images corrupted by noise and high intensity inhomogeneity. The energy function of the proposed method results from combining the global intensity information and local intensity information with some regularization factors. First, the global intensity term is proposed based on a scheme formulation that considers two intensity values for each region instead of one, which outperforms the well-known Chan-Vese model in delineating the image information. Second, the local intensity term is formulated based on local entropy computed considering the distribution of the image brightness and using the generalized Gaussian distribution as the kernel function. Therefore, it can accurately handle high intensity inhomogeneity and noise. Moreover, our model is not dependent on the position occupied by the initial curve. Finally, extensive experiments using various images have been carried out to illustrate the performance of the proposed method.

Energy, entropy and mass scaling relations for elliptical galaxies. Towards a physical understanding of their photometric properties

NASA Astrophysics Data System (ADS)

Márquez, I.; Lima Neto, G. B.; Capelato, H.; Durret, F.; Lanzoni, B.; Gerbal, D.

2001-12-01

In the present paper, we show that elliptical galaxies (Es) obey a scaling relation between potential energy and mass. Since they are relaxed systems in a post violent-relaxation stage, they are quasi-equilibrium gravitational systems and therefore they also have a quasi-constant specific entropy. Assuming that light traces mass, these two laws imply that in the space defined by the three Sérsic law parameters (intensity Sigma0 , scale a and shape nu ), elliptical galaxies are distributed on two intersecting 2-manifolds: the Entropic Surface and the Energy-Mass Surface. Using a sample of 132 galaxies belonging to three nearby clusters, we have verified that ellipticals indeed follow these laws. This also implies that they are distributed along the intersection line (the Energy-Entropy line), thus they constitute a one-parameter family. These two physical laws (separately or combined), allow to find the theoretical origin of several observed photometrical relations, such as the correlation between absolute magnitude and effective surface brightness, and the fact that ellipticals are located on a surface in the [log Reff, -2.5 log Sigma0, log nu ] space. The fact that elliptical galaxies are a one-parameter family has important implications for cosmology and galaxy formation and evolution models. Moreover, the Energy-Entropy line could be used as a distance indicator.

Radiation Entropy and Near-Field Thermophotovoltaics

NASA Astrophysics Data System (ADS)

Zhang, Zhuomin M.

2008-08-01

Radiation entropy was key to the original derivation of Planck's law of blackbody radiation, in 1900. This discovery opened the door to quantum mechanical theory and Planck was awarded the Nobel Prize in Physics in 1918. Thermal radiation plays an important role in incandescent lamps, solar energy utilization, temperature measurements, materials processing, remote sensing for astronomy and space exploration, combustion and furnace design, food processing, cryogenic engineering, as well as numerous agricultural, health, and military applications. While Planck's law has been fruitfully applied to a large number of engineering problems for over 100 years, questions have been raised about its limitation in micro/nano systems, especially at subwavelength distances or in the near field. When two objects are located closer than the characteristic wavelength, wave interference and photon tunneling occurs that can result in significant enhancement of the radiative transfer. Recent studies have shown that the near-field effects can realize emerging technologies, such as superlens, sub-wavelength light source, polariton-assisted nanolithography, thermophotovoltaic (TPV) systems, scanning tunneling thermal microscopy, etc. The concept of entropy has also been applied to explain laser cooling of solids as well as the second law efficiency of devices that utilize thermal radiation to produce electricity. However, little is known as regards the nature of entropy in near-field radiation. Some history and recent advances are reviewed in this presentation with a call for research of radiation entropy in the near field, due to the important applications in the optimization of thermophotovoltaic converters and in the design of practical systems that can harvest photon energies efficiently.

Effect of unsaturation on the absorption of ethane and ethylene in imidazolium-based ionic liquids.

PubMed

Moura, Leila; Mishra, Manas; Bernales, Varinia; Fuentealba, Patricio; Padua, Agilio A H; Santini, Catherine C; Costa Gomes, Margarida F

2013-06-20

The influence of the presence of imidazolium side chain unsaturation on the solubility of ethane and ethylene was studied in three ionic liquids: 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide-saturated alkyl side-chain in the cation; 1-methyl-3-(buten-3-yl)imidazolium bis(trifluorosulfonyl)imide-double bond in the side-chain of the cation; and 1-methyl-3-benzylimidazolium bis(trifluorosulfonyl)imide-benzyl group in the side-chain of the cation. The solubility of both gases decreases when the side-chain of the cations is functionalized with an unsaturated group. This can be explained by a less favorable enthalpy of solvation. The difference of solubility between ethane and ethylene can be explained from a balance of enthalpic and entropic factors: for the ionic liquid with the saturated alkyl side-chain and the benzyl-substituted side-chain, it is the favorable entropy of solvation that explains the larger ethylene solubility, whereas in the case of the saturated side-chain, it is the more favorable enthalpy of solvation. Molecular simulation allowed the identification of the mechanisms of solvation and the preferential solvation sites for each gas in the different ionic liquids. Simulations have shown that the entropy of solvation is more favorable when the presence of the gas weakens the cation-anion interactions or when the gas can be solvated near different sites of the ionic liquid.

The Self-Organization of Insight: Entropy and Power Laws in Problem Solving

ERIC Educational Resources Information Center

Stephen, Damian G.; Dixon, James A.

2008-01-01

Explaining emergent structure remains a challenge for all areas of cognitive science, and problem solving is no exception. The modern study of insight has drawn attention to the issue of emergent cognitive structure in problem solving research. We propose that the explanation of insight is beyond the scope of conventional approaches to cognitive…

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

Goncharov, V.N.; Knauer, J.P.; McKenty, P.W.

(B204)Hydrodynamic instabilities seeded by laser imprint and surface roughness limit the compression ratio and neutron yield in the direct-drive inertial confinement fusion target designs. New improved-performance designs use adiabat shaping to increase the entropy of only the outer portion of the shell, reducing the instability growth. The inner portion of the shell is kept on a lower entropy to maximize shell compressibility. The adiabat shaping is implemented using a high-intensity picket in front of the main-drive pulse. The picket launches a strong shock that decays as it propagates through the shell. This increases the ablation velocity and reduces the Rayleigh-Taylormore » growth rates. In addition, as shown earlier [T.J.B. Collis and S. Skupsky, Phys. Plasmas 9 275 (2002)], the picket reduces the instability seed due to the laser imprint. To test the results of calculations, a series of the picket pulse implosions of CH capsules were performed on the OMEGA laser system [T.R. Boehly, D .L. Brown, R.S. Craxton, et al., Opt. Commun. 133, 495 (1997)]. The experiments demonstrated a significant improvement in target yields for the pulses with the picket compared to the pulses without the picket. Results of the theory and experiments with adiabat shaping are being extended to future OMEGA and the National Ignition Facility's [J.A. Paisner, J.D. Boyes, S.A. Kumpan, W.H. Lowdermilk, and M.S. Sorem, Laser Focus World 30, 75 (1994)] cryogenic target designs.« less

Dynamics of representational change: entropy, action, and cognition.

PubMed

Stephen, Damian G; Dixon, James A; Isenhower, Robert W

2009-12-01

Explaining how the cognitive system can create new structures has been a major challenge for cognitive science. Self-organization from the theory of nonlinear dynamics offers an account of this remarkable phenomenon. Two studies provide an initial test of the hypothesis that the emergence of new cognitive structure follows the same universal principles as emergence in other domains (e.g., fluids, lasers). In both studies, participants initially solved gear-system problems by manually tracing the force across a system of gears. Subsequently, they discovered that the gears form an alternating sequence, thereby demonstrating a new cognitive structure. In both studies, dynamical analyses of action during problem solving predicted the spontaneous emergence of the new cognitive structure. Study 1 showed that a peak in entropy, followed by negentropy, key indicators of self-organization, predicted discovery of alternation. Study 2 replicated these effects, and showed that increasing environmental entropy accelerated discovery, a classic prediction from dynamics. Additional analyses based on the relationship between phase transitions and power-law behavior provide converging evidence. The studies provide an initial demonstration of the emergence of cognitive structure through self-organization.

SU-E-QI-17: Dependence of 3D/4D PET Quantitative Image Features On Noise

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

Oliver, J; Budzevich, M; Zhang, G

2014-06-15

Purpose: Quantitative imaging is a fast evolving discipline where a large number of features are extracted from images; i.e., radiomics. Some features have been shown to have diagnostic, prognostic and predictive value. However, they are sensitive to acquisition and processing factors; e.g., noise. In this study noise was added to positron emission tomography (PET) images to determine how features were affected by noise. Methods: Three levels of Gaussian noise were added to 8 lung cancer patients PET images acquired in 3D mode (static) and using respiratory tracking (4D); for the latter images from one of 10 phases were used. Amore » total of 62 features: 14 shape, 19 intensity (1stO), 18 GLCM textures (2ndO; from grey level co-occurrence matrices) and 11 RLM textures (2ndO; from run-length matrices) features were extracted from segmented tumors. Dimensions of GLCM were 256×256, calculated using 3D images with a step size of 1 voxel in 13 directions. Grey levels were binned into 256 levels for RLM and features were calculated in all 13 directions. Results: Feature variation generally increased with noise. Shape features were the most stable while RLM were the most unstable. Intensity and GLCM features performed well; the latter being more robust. The most stable 1stO features were compactness, maximum and minimum length, standard deviation, root-mean-squared, I30, V10-V90, and entropy. The most stable 2ndO features were entropy, sum-average, sum-entropy, difference-average, difference-variance, difference-entropy, information-correlation-2, short-run-emphasis, long-run-emphasis, and run-percentage. In general, features computed from images from one of the phases of 4D scans were more stable than from 3D scans. Conclusion: This study shows the need to characterize image features carefully before they are used in research and medical applications. It also shows that the performance of features, and thereby feature selection, may be assessed in part by noise analysis.« less

Connecting thermodynamics and economics: well-lit roads and burned bridges.

PubMed

Glucina, Mark David; Mayumi, Kozo

2010-01-01

Almost 40 years have passed since Georgescu-Roegen's seminal work, The Entropy Law and the Economic Process. During this time there has been much debate on the relevance of thermodynamics to economics, and many attempts to build bridges between the two. There has also been much confusion as to what the laws of thermodynamics actually say. This article clearly explains heat, work, and the thermodynamic laws, the meaning of entropy, and the importance of kinetics as a barrier to thermodynamically favorable processes. The two most important misunderstandings in the literature, namely entropy as disorder, and entropy as a measure of information, are highlighted. Reviewing the literature shows that thermodynamics is most relevant for building a descriptive model, or preanalytic vision of economics, because it implies physical constraints on production and consumption. Similarly, it suggests that there may be serious flaws with neoclassical economic models, and in particular the primacy of sustained growth. However, thermodynamics does not seem to aid mathematical modeling in economics, nor does it provide normative insights. As an aid to energy policy, thermodynamics is useful for assessing the feasibility of technology options--those that have the potential to meet our goals, and should be counted as options, and those that should not. But it does not provide a prescription outside of this technical realm. Factors, such as environmental impact, cost, and social acceptability, will ultimately determine which technically feasible options are most desirable.

Universal behaviour in the stock market: Time dynamics of the electronic orderbook

NASA Astrophysics Data System (ADS)

Kızılersü, Ayşe; Kreer, Markus; Thomas, Anthony W.; Feindt, Michael

2016-07-01

A consequence of the digital revolution is that share trading at the stock exchange takes place via electronic order books which are accessed by traders and investors via the internet. Our empirical findings of the London Stock Exchange demonstrate that once ultra-high frequency manipulation on time scales less than around ten milliseconds is excluded, all relevant changes in the order book happen with time differences that are randomly distributed and well described by a left-truncated Weibull distribution with universal shape parameter (independent of time and same for all stocks). The universal shape parameter corresponds to maximum entropy of the distribution.

Corner entanglement as a probe of quantum criticality

NASA Astrophysics Data System (ADS)

Witczak-Krempa, William; Bueno, Pablo; Myers, Robert C.

The entanglement entropy in many gapless quantum systems in 2+1D receives a contribution from corners in the entangling surface. It is characterized by a universal function a (θ) that depends non-trivially on the corner opening angle θ. Focusing on a large family of quantum critical theories with emergent Lorentz invariance (CFTs), we argue that the smooth limit a (θ ~ π) is entirely determined by the energy-density or stress tensor 2-point function coefficient. This explains recent results obtained via cutting edge simulations on the quantum critical Ising, XY and Heisenberg models. We also show how to extract the full thermal entropy of the quantum critical system using corner entanglement of the groundstate alone. ** Bueno, Myers, WK, Phys. Rev. Lett. (2015) Work supported by Perimeter Institute and NSERC.

Boltzmann, Darwin and Directionality theory

NASA Astrophysics Data System (ADS)

Demetrius, Lloyd A.

2013-09-01

Boltzmann’s statistical thermodynamics is a mathematical theory which relates the macroscopic properties of aggregates of interacting molecules with the laws of their interaction. The theory is based on the concept thermodynamic entropy, a statistical measure of the extent to which energy is spread throughout macroscopic matter. Macroscopic evolution of material aggregates is quantitatively explained in terms of the principle: Thermodynamic entropy increases as the composition of the aggregate changes under molecular collision. Darwin’s theory of evolution is a qualitative theory of the origin of species and the adaptation of populations to their environment. A central concept in the theory is fitness, a qualitative measure of the capacity of an organism to contribute to the ancestry of future generations. Macroscopic evolution of populations of living organisms can be qualitatively explained in terms of a neo-Darwinian principle: Fitness increases as the composition of the population changes under variation and natural selection. Directionality theory is a quantitative model of the Darwinian argument of evolution by variation and selection. This mathematical theory is based on the concept evolutionary entropy, a statistical measure which describes the rate at which an organism appropriates energy from the environment and reinvests this energy into survivorship and reproduction. According to directionality theory, microevolutionary dynamics, that is evolution by mutation and natural selection, can be quantitatively explained in terms of a directionality principle: Evolutionary entropy increases when the resources are diverse and of constant abundance; but decreases when the resource is singular and of variable abundance. This report reviews the analytical and empirical support for directionality theory, and invokes the microevolutionary dynamics of variation and selection to delineate the principles which govern macroevolutionary dynamics of speciation and extinction. We also elucidate the relation between thermodynamic entropy, which pertains to the extent of energy spreading and sharing within inanimate matter, and evolutionary entropy, which refers to the rate of energy appropriation from the environment and allocation within living systems. We show that the entropic principle of thermodynamics is the limit as R→0, M→∞, (where R denote the resource production rate, and M denote population size) of the entropic principle of evolution. We exploit this relation between the thermodynamic and evolutionary tenets to propose a physico-chemical model of the transition from inanimate matter which is under thermodynamic selection, to living systems which are subject to evolutionary selection. Life history variation and the evolution of senescence The evolutionary dynamics of speciation and extinction Evolutionary trends in body size. The origin of sporadic forms of cancer and neurological diseases, and the evolution of cooperation are important recent applications of directionality theory. These applications, which draw from the medical sciences and sociobiology, appeal to methods which lie outside the formalism described in this report. A companion review, Demetrius and Gundlach (submitted for publication), gives an account of these applications.An important aspect of this report pertains to the connection between statistical mechanics and evolutionary theory and its implications towards understanding the processes which underlie the emergence of living systems from inanimate matter-a problem which has recently attracted considerable attention, Morowitz (1992), Eigen (1992), Dyson (2000), Pross (2012).The connection between the two disciplines can be addressed by appealing to certain extremal principles which are considered the mainstay of the respective theories.The extremal principle in statistical mechanics can be stated as follows:

Probing the History of Galaxy Clusters with Metallicity and Entropy Measurements

NASA Astrophysics Data System (ADS)

Elkholy, Tamer Yohanna

Galaxy clusters are the largest gravitationally bound objects found today in our Universe. The gas they contain, the intra-cluster medium (ICM), is heated to temperatures in the approximate range of 1 to 10 keV, and thus emits X-ray radiation. Studying the ICM through the spatial and spectral analysis of its emission returns the richest information about both the overall cosmological context which governs the formation of clusters, as well as the physical processes occurring within. The aim of this thesis is to learn about the history of the physical processes that drive the evolution of galaxy clusters, through careful, spatially resolved measurements of their metallicity and entropy content. A sample of 45 nearby clusters observed with Chandra is analyzed to produce radial density, temperature, entropy and metallicity profiles. The entropy profiles are computed to larger radial extents than in previous Chandra analyses. The results of this analysis are made available to the scientific community in an electronic database. Comparing metallicity and entropy in the outskirts of clusters, we find no signature on the entropy profiles of the ensemble of supernovae that produced the observed metals. In the centers of clusters, we find that the metallicities of high-mass clusters are much less dispersed than those of low-mass clusters. A comparison of metallicity with the regularity of the X-ray emission morphology suggests that metallicities in low-mass clusters are more susceptible to increase from violent events such as mergers. We also find that the variation in the stellar-to-gas mass ratio as a function of cluster mass can explain the variation of central metallicity with cluster mass, only if we assume that there is a constant level of metallicity for clusters of all masses, above which the observed galaxies add more metals in proportion to their mass. (Copies available exclusively from MIT Libraries, libraries.mit.edu/docs - docs mit.edu)

Multifunctional shape-memory polymers.

PubMed

Behl, Marc; Razzaq, Muhammad Yasar; Lendlein, Andreas

2010-08-17

The thermally-induced shape-memory effect (SME) is the capability of a material to change its shape in a predefined way in response to heat. In shape-memory polymers (SMP) this shape change is the entropy-driven recovery of a mechanical deformation, which was obtained before by application of external stress and was temporarily fixed by formation of physical crosslinks. The high technological significance of SMP becomes apparent in many established products (e.g., packaging materials, assembling devices, textiles, and membranes) and the broad SMP development activities in the field of biomedical as well as aerospace applications (e.g., medical devices or morphing structures for aerospace vehicles). Inspired by the complex and diverse requirements of these applications fundamental research is aiming at multifunctional SMP, in which SME is combined with additional functions and is proceeding rapidly. In this review different concepts for the creation of multifunctionality are derived from the various polymer network architectures of thermally-induced SMP. Multimaterial systems, such as nanocomposites, are described as well as one-component polymer systems, in which independent functions are integrated. Future challenges will be to transfer the concept of multifunctionality to other emerging shape-memory technologies like light-sensitive SMP, reversible shape changing effects or triple-shape polymers.

USSR Report, Physics and Mathematics

DTIC Science & Technology

1987-04-08

Publications issued by the Superintendent of Documents, U.S. Government Printing Office, Washington, D.C. 20402. Correspondence pertaining to matters ...Goverdovskiy, A.K. Gordyushin, et al.; ATOMNAYA ENERGTYA, No 6, Jun 86) 58 Multiplicity of Charmed Mesons and Baryons in Neutrino and...are estimated are explained. The higher the initial entropy, the greater the resistivity of matter to subsequent compression and the smaller the

Lepton asymmetry, neutrino spectral distortions, and big bang nucleosynthesis

NASA Astrophysics Data System (ADS)

Grohs, E.; Fuller, George M.; Kishimoto, C. T.; Paris, Mark W.

2017-03-01

We calculate Boltzmann neutrino energy transport with self-consistently coupled nuclear reactions through the weak-decoupling-nucleosynthesis epoch in an early universe with significant lepton numbers. We find that the presence of lepton asymmetry enhances processes which give rise to nonthermal neutrino spectral distortions. Our results reveal how asymmetries in energy and entropy density uniquely evolve for different transport processes and neutrino flavors. The enhanced distortions in the neutrino spectra alter the expected big bang nucleosynthesis light element abundance yields relative to those in the standard Fermi-Dirac neutrino distribution cases. These yields, sensitive to the shapes of the neutrino energy spectra, are also sensitive to the phasing of the growth of distortions and entropy flow with time/scale factor. We analyze these issues and speculate on new sensitivity limits of deuterium and helium to lepton number.

High-velocity deformation of Al0.3CoCrFeNi high-entropy alloy: Remarkable resistance to shear failure

PubMed Central

Li, Z.; Zhao, S.; Diao, H.; Liaw, P. K.; Meyers, M. A.

2017-01-01

The mechanical behavior of a single phase (fcc) Al0.3CoCrFeNi high-entropy alloy (HEA) was studied in the low and high strain-rate regimes. The combination of multiple strengthening mechanisms such as solid solution hardening, forest dislocation hardening, as well as mechanical twinning leads to a high work hardening rate, which is significantly larger than that for Al and is retained in the dynamic regime. The resistance to shear localization was studied by dynamically-loading hat-shaped specimens to induce forced shear localization. However, no adiabatic shear band could be observed. It is therefore proposed that the excellent strain hardening ability gives rise to remarkable resistance to shear localization, which makes this material an excellent candidate for penetration protection applications such as armors. PMID:28210000

Thermo-osmosis in Membrane Systems: A Review

NASA Astrophysics Data System (ADS)

Barragán, V. María; Kjelstrup, Signe

2017-06-01

We give a first review of experimental results for a phenomenon little explored in the literature, namely thermal osmosis or thermo-osmosis. Such systems are now getting increased attention because of their ability to use waste heat for separation purposes. We show that this volume transport of a solution or a pure liquid caused by a temperature difference across a membrane can be understood as a property of the membrane system, i. e. the membrane with its adjacent solutions. We present experimental values found in the literature of thermo-osmotic coefficients of neutral and hydrophobic as well as charged and hydrophilic membranes, with water and other permeant fluids as well as electrolyte solutions. We propose that the coefficient can be qualitatively explained by a formula that contains the entropy of adsorption of permeant into the membrane, the hydraulic permeability, and a factor that depends on the interface resistance to heat transfer. A variation in the entropy of adsorption with hydrophobic/hydrophilic membranes and structure breaking/structure making cations could then explain the sign of the permeant flux. Systematic experiments in the field are lacking and we propose an experimental program to mend this situation.

Braid Entropy of Two-Dimensional Turbulence

NASA Astrophysics Data System (ADS)

Francois, Nicolas; Xia, Hua; Punzmann, Horst; Faber, Benjamin; Shats, Michael

2015-12-01

The evolving shape of material fluid lines in a flow underlies the quantitative prediction of the dissipation and material transport in many industrial and natural processes. However, collecting quantitative data on this dynamics remains an experimental challenge in particular in turbulent flows. Indeed the deformation of a fluid line, induced by its successive stretching and folding, can be difficult to determine because such description ultimately relies on often inaccessible multi-particle information. Here we report laboratory measurements in two-dimensional turbulence that offer an alternative topological viewpoint on this issue. This approach characterizes the dynamics of a braid of Lagrangian trajectories through a global measure of their entanglement. The topological length of material fluid lines can be derived from these braids. This length is found to grow exponentially with time, giving access to the braid topological entropy . The entropy increases as the square root of the turbulent kinetic energy and is directly related to the single-particle dispersion coefficient. At long times, the probability distribution of is positively skewed and shows strong exponential tails. Our results suggest that may serve as a measure of the irreversibility of turbulence based on minimal principles and sparse Lagrangian data.

Braid Entropy of Two-Dimensional Turbulence

PubMed Central

Francois, Nicolas; Xia, Hua; Punzmann, Horst; Faber, Benjamin; Shats, Michael

2015-01-01

The evolving shape of material fluid lines in a flow underlies the quantitative prediction of the dissipation and material transport in many industrial and natural processes. However, collecting quantitative data on this dynamics remains an experimental challenge in particular in turbulent flows. Indeed the deformation of a fluid line, induced by its successive stretching and folding, can be difficult to determine because such description ultimately relies on often inaccessible multi-particle information. Here we report laboratory measurements in two-dimensional turbulence that offer an alternative topological viewpoint on this issue. This approach characterizes the dynamics of a braid of Lagrangian trajectories through a global measure of their entanglement. The topological length of material fluid lines can be derived from these braids. This length is found to grow exponentially with time, giving access to the braid topological entropy . The entropy increases as the square root of the turbulent kinetic energy and is directly related to the single-particle dispersion coefficient. At long times, the probability distribution of is positively skewed and shows strong exponential tails. Our results suggest that may serve as a measure of the irreversibility of turbulence based on minimal principles and sparse Lagrangian data. PMID:26689261

Combining Experiments and Simulations Using the Maximum Entropy Principle

PubMed Central

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

2014-01-01

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

CHANDRA and XMM-NEWTON observations of the bimodal PLANCK SZ-detected clustered CKG345.40-39.34 (A3716) with high and low entropy subcluster cores

DOE PAGES

Andrade-Santos, Felipe; Jones, Christine; Forman, William R.; ...

2015-04-22

Here, we present results from Chandra, XMM-Newton, and ROSAT observations of the Planck SZ-detected cluster A3716 (PLCKG345.40-39.34-G345). We show that G345 is, in fact, two subclusters separated on the sky by 400 kpc. We measure the subclusters' gas temperatures (~2–3 keV), total (~1–2 × 10 14more » $${{M}_{\\odot }}$$) and gas (~1–2 × 10 13 $${{M}_{\\odot }}$$) masses, gas mass fraction within r500, entropy profiles, and X-ray luminosities (~10 43 erg s -1). Using the gas density and temperature profiles for both subclusters, we show that there is good (0.8σ) agreement between the expected Sunyaev–Zel'dovich signal predicted from the X-ray data and that measured from the Planck mission, and better agreement within 0.6σ when we re-computed the Planck value assuming a two component cluster model, with relative amplitudes fixed based on the X-ray data. Dynamical analysis shows that the two galaxy subclusters are very likely ($$\\gt 97\\%$$ probability) gravitationally bound, and in the most likely scenario, the subclusters will undergo core passage in 500 ± 200 Myr. The northern subcluster is centrally peaked and has a low entropy core, while the southern subcluster has a high central entropy. Finally, the high central entropy in the southern subcluster can be explained either by the mergers of several groups, as suggested by the presence of five giant ellipticals or by active galactic nucleus energy injection, as suggested by the presence of a strong radio source in one of its massive elliptical galaxies, or by a combination of both processes.« less

Retrieving pace in vegetation growth using precipitation and soil moisture

NASA Astrophysics Data System (ADS)

Sohoulande Djebou, D. C.; Singh, V. P.

2013-12-01

The complexity of interactions between the biophysical components of the watershed increases the challenge of understanding water budget. Hence, the perspicacity of the continuum soil-vegetation-atmosphere's functionality still remains crucial for science. This study targeted the Texas Gulf watershed and evaluated the behavior of vegetation covers by coupling precipitation and soil moisture patterns. Growing season's Normalized Differential Vegetation Index NDVI for deciduous forest and grassland were used over a 23 year period as well as precipitation and soil moisture data. The role of time scales on vegetation dynamics analysis was appraised using both entropy rescaling and correlation analysis. This resulted in that soil moisture at 5 cm and 25cm are potentially more efficient to use for vegetation dynamics monitoring at finer time scale compared to precipitation. Albeit soil moisture at 5 cm and 25 cm series are highly correlated (R2>0.64), it appeared that 5 cm soil moisture series can better explain the variability of vegetation growth. A logarithmic transformation of soil moisture and precipitation data increased correlation with NDVI for the different time scales considered. Based on a monthly time scale we came out with a relationship between vegetation index and the couple soil moisture and precipitation [NDVI=a*Log(% soil moisture)+b*Log(Precipitation)+c] with R2>0.25 for each vegetation type. Further, we proposed to assess vegetation green-up using logistic regression model and transinformation entropy using the couple soil moisture and precipitation as independent variables and vegetation growth metrics (NDVI, NDVI ratio, NDVI slope) as the dependent variable. The study is still ongoing and the results will surely contribute to the knowledge in large scale vegetation monitoring. Keywords: Precipitation, soil moisture, vegetation growth, entropy Time scale, Logarithmic transformation and correlation between soil moisture and NDVI, precipitation and NDVI. The analysis is performed by combining both scenes 7 and 8 data. Schematic illustration of the two dimension transinformation entropy approach. T(P,SM;VI) stand for the transinformation contained in the couple soil moisture (SM)/precipitation (P) and explaining vegetation growth (VI).

A Combined CFD/Characteristic Method for Prediction and Design of Hypersonic Inlet with Nose Bluntness

NASA Astrophysics Data System (ADS)

Gao, Wenzhi; Li, Zhufei; Yang, Jiming

Leading edge bluntness is widely used in hypersonic inlet design for thermal protection[1]. Detailed research of leading edge bluntness on hypersonic inlet has been concentrated on shock shape correlation[2], boundary layer flow[3], inlet performance[4], etc. It is well known that blunted noses cause detached bow shocks which generate subsonic regions around the noses and entropy layers in the flowfield.

First-order irreversible thermodynamic approach to a simple energy converter

NASA Astrophysics Data System (ADS)

Arias-Hernandez, L. A.; Angulo-Brown, F.; Paez-Hernandez, R. T.

2008-01-01

Several authors have shown that dissipative thermal cycle models based on finite-time thermodynamics exhibit loop-shaped curves of power output versus efficiency, such as it occurs with actual dissipative thermal engines. Within the context of first-order irreversible thermodynamics (FOIT), in this work we show that for an energy converter consisting of two coupled fluxes it is also possible to find loop-shaped curves of both power output and the so-called ecological function versus efficiency. In a previous work Stucki [J. W. Stucki, Eur. J. Biochem. 109, 269 (1980)] used a FOIT approach to describe the modes of thermodynamic performance of oxidative phosphorylation involved in adenosine triphosphate (ATP) synthesis within mithochondrias. In that work the author did not use the mentioned loop-shaped curves and he proposed that oxidative phosphorylation operates in a steady state at both minimum entropy production and maximum efficiency simultaneously, by means of a conductance matching condition between extreme states of zero and infinite conductances, respectively. In the present work we show that all Stucki’s results about the oxidative phosphorylation energetics can be obtained without the so-called conductance matching condition. On the other hand, we also show that the minimum entropy production state implies both null power output and efficiency and therefore this state is not fulfilled by the oxidative phosphorylation performance. Our results suggest that actual efficiency values of oxidative phosphorylation performance are better described by a mode of operation consisting of the simultaneous maximization of both the so-called ecological function and the efficiency.

Texting Styles and Information Change of SMS Text Messages in Filipino

NASA Astrophysics Data System (ADS)

Cabatbat, Josephine Jill T.; Tapang, Giovanni A.

2013-02-01

We identify the different styles of texting in Filipino short message service (SMS) texts and analyze the change in unigram and bigram frequencies due to these styles. Style preference vectors for sample texts were calculated and used to identify the style combination used by an average individual. The change in Shannon entropy of the SMS text is explained in light of a coding process.

Entropic vs. elastic models of fragility of glass-forming liquids: Two sides of the same coin?

NASA Astrophysics Data System (ADS)

Sen, Sabyasachi

2012-10-01

The two most influential atomistic models that have been proposed in the literature to explain the temperature dependent activation energy of viscous flow of a glass-forming liquid, i.e., its fragility, are the configurational entropy model of Adam and Gibbs [J. Chem. Phys. 43, 139 (1965), 10.1063/1.1696442] and the elastic "shoving" model of Dyre et al. [J. Non-Cryst. Solids 352, 4635 (2006), 10.1016/j.jnoncrysol.2006.02.173]. Here we demonstrate a qualitative equivalence between these two models starting from the well-established general relationships between the interatomic potentials, elastic constants, structural rearrangement, and entropy in amorphous materials. The unification of these two models provides important predictions that are consistent with experimental observations and shed new light into the problem of glass transition.

Energetics of photosynthetic glow peaks

PubMed Central

DeVault, Don; Govindjee; Arnold, William

1983-01-01

By postulating temperature-dependent equilibria between two or more electron carriers acting as traps for electrons or holes, it is possible to modify the Randall-Wilkins theory of thermoluminescence so as to explain the abnormally large apparent activation energies and apparent frequency factors observed in photosynthetic glow curves when fitted by unmodified Randall-Wilkins theory. The equilibria serve to inhibit the formation of the light-emitting excited state by withholding the needed precursor state. When the inhibition is released at higher temperature by shift of equilibrium with temperature, the rise of the glow peak can be much faster than would result from Arrhenius behavior based on the true activation energy and so appears to correspond to a higher activation energy accompanied by a larger frequency factor. From another viewpoint, the enthalpy changes, ΔH, of the equilibria tend to add to the activation energy. Similarly the entropy changes, ΔS, of the equilibria tend to add to the entropy of activation, giving the large apparent frequency factors. The positive values of ΔS needed would correspond to entropy decreases in the forward early electron transport. A comparison of the glow peaks obtained by different workers is also presented. PMID:16593283

Entropy generation and momentum transfer in the superconductor-normal and normal-superconductor phase transformations and the consistency of the conventional theory of superconductivity

NASA Astrophysics Data System (ADS)

Hirsch, J. E.

2018-05-01

Since the discovery of the Meissner effect, the superconductor to normal (S-N) phase transition in the presence of a magnetic field is understood to be a first-order phase transformation that is reversible under ideal conditions and obeys the laws of thermodynamics. The reverse (N-S) transition is the Meissner effect. This implies in particular that the kinetic energy of the supercurrent is not dissipated as Joule heat in the process where the superconductor becomes normal and the supercurrent stops. In this paper, we analyze the entropy generation and the momentum transfer between the supercurrent and the body in the S-N transition and the N-S transition as described by the conventional theory of superconductivity. We find that it is not possible to explain the transition in a way that is consistent with the laws of thermodynamics unless the momentum transfer between the supercurrent and the body occurs with zero entropy generation, for which the conventional theory of superconductivity provides no mechanism. Instead, we point out that the alternative theory of hole superconductivity does not encounter such difficulties.

Structural and thermodynamic insights into β-1,2-glucooligosaccharide capture by a solute-binding protein in Listeria innocua.

PubMed

Abe, Koichi; Sunagawa, Naoki; Terada, Tohru; Takahashi, Yuta; Arakawa, Takatoshi; Igarashi, Kiyohiko; Samejima, Masahiro; Nakai, Hiroyuki; Taguchi, Hayao; Nakajima, Masahiro; Fushinobu, Shinya

2018-06-08

β-1,2-Glucans are bacterial carbohydrates that exist in cyclic or linear forms and play an important role in infections and symbioses involving Gram-negative bacteria. Although several β-1,2-glucan-associated enzymes have been characterized, little is known about how β-1,2-glucan and its shorter oligosaccharides (Sop n s) are captured and imported into the bacterial cell. Here, we report the biochemical and structural characteristics of the Sop n -binding protein (SO-BP, Lin1841) associated with the ATP-binding cassette (ABC) transporter from the Gram-positive bacterium Listeria innocua Calorimetric analysis revealed that SO-BP specifically binds to Sop n s with a degree of polymerization of 3 or more, with K d values in the micromolar range. The crystal structures of SO-BP in an unliganded open form and in closed complexes with tri-, tetra-, and pentaoligosaccharides (Sop 3-5 ) were determined to a maximum resolution of 1.6 Å. The binding site displayed shape complementarity to Sop n , which adopted a zigzag conformation. We noted that water-mediated hydrogen bonds and stacking interactions play a pivotal role in the recognition of Sop 3-5 by SO-BP, consistent with its binding thermodynamics. Computational free-energy calculations and a mutational analysis confirmed that interactions with the third glucose moiety of Sop n s are significantly responsible for ligand binding. A reduction in unfavorable changes in binding entropy that were in proportion to the lengths of the Sop n s was explained by conformational entropy changes. Phylogenetic and sequence analyses indicated that SO-BP ABC transporter homologs, glycoside hydrolases, and other related proteins are co-localized in the genomes of several bacteria. This study may improve our understanding of bacterial β-1,2-glucan metabolism and promote the discovery of unidentified β-1,2-glucan-associated proteins. © 2018 by The American Society for Biochemistry and Molecular Biology, Inc.

Entanglement tsunami: universal scaling in holographic thermalization.

PubMed

Liu, Hong; Suh, S Josephine

2014-01-10

We consider the time evolution of entanglement entropy after a global quench in a strongly coupled holographic system, whose subsequent equilibration is described in the gravity dual by the gravitational collapse of a thin shell of matter resulting in a black hole. In the limit of large regions of entanglement, the evolution of entanglement entropy is controlled by the geometry around and inside the event horizon of the black hole, resulting in regimes of pre-local-equilibration quadratic growth (in time), post-local-equilibration linear growth, a late-time regime in which the evolution does not carry memory of the size and shape of the entangled region, and a saturation regime with critical behavior resembling those in continuous phase transitions. Collectively, these regimes suggest a picture of entanglement growth in which an "entanglement tsunami" carries entanglement inward from the boundary. We also make a conjecture on the maximal rate of entanglement growth in relativistic systems.

Entropy Generation Analysis through Helical Coil Heat Exchanger in an Agitated Vessel

NASA Astrophysics Data System (ADS)

Ashok Reddy, K.

2018-03-01

Entropy Generation have been obtained while conducting the experiments for different sodium carboxymethyl cellulose concentrations 0.05%,0.1%,0.15% and 0.2% of Newtonian and non Newtonian fluids and the data made available by passing the test fluid at different flow rates through a helical coil in a mixing coil using paddle impeller. Heating of fluids depend on operational parameters, geometry of the mixing vessel and the type of impeller used. A new design of heating element was design and fabricated by providing kanthal wire inserted into a glove knitted with fiber glass yarn as glass fabric is flexible, heat resistant and can accommodate to adopt small difference in size of the vessel, perfectly. The knitted fabric is made to the shape of vessel used in the experiment and the heating elements are inserted so that it gets embedded and forms part of the glove knitted with yarn of fiber glass.

Disordered kagomé spin ice

NASA Astrophysics Data System (ADS)

Greenberg, Noah; Kunz, Andrew

2018-05-01

Artificial spin ice is made from a large array of patterned magnetic nanoislands designed to mimic naturally occurring spin ice materials. The geometrical arrangement of the kagomé lattice guarantees a frustrated arrangement of the islands' magnetic moments at each vertex where the three magnetic nanoislands meet. This frustration leads to a highly degenerate ground state which gives rise to a finite (residual) entropy at zero temperature. In this work we use the Monte Carlo simulation to explore the effects of disorder in kagomé spin ice. Disorder is introduced to the system by randomly removing a known percentage of magnetic islands from the lattice. The behavior of the spin ice changes as the disorder increases; evident by changes to the shape and locations of the peaks in heat capacity and the residual entropy. The results are consistent with observations made in diluted physical spin ice materials.

High-velocity deformation of Al 0.3CoCrFeNi high-entropy alloy: Remarkable resistance to shear failure

DOE PAGES

Li, Z.; Zhao, S.; Diao, H.; ...

2017-02-17

Here, the mechanical behavior of a single phase (fcc) Al 0.3CoCrFeNi high-entropy alloy (HEA) was studied in the low and high strain-rate regimes. The combination of multiple strengthening mechanisms such as solid solution hardening, forest dislocation hardening, as well as mechanical twinning leads to a high work hardening rate, which is significantly larger than that for Al and is retained in the dynamic regime. The resistance to shear localization was studied by dynamically-loading hat-shaped specimens to induce forced shear localization. However, no adiabatic shear band could be observed. It is therefore proposed that the excellent strain hardening ability gives risemore » to remarkable resistance to shear localization, which makes this material an excellent candidate for penetration protection applications such as armors.« less

Lepton asymmetry, neutrino spectral distortions, and big bang nucleosynthesis

DOE PAGES

Grohs, E.; Fuller, George M.; Kishimoto, C. T.; ...

2017-03-03

In this paper, we calculate Boltzmann neutrino energy transport with self-consistently coupled nuclear reactions through the weak-decoupling-nucleosynthesis epoch in an early universe with significant lepton numbers. We find that the presence of lepton asymmetry enhances processes which give rise to nonthermal neutrino spectral distortions. Our results reveal how asymmetries in energy and entropy density uniquely evolve for different transport processes and neutrino flavors. The enhanced distortions in the neutrino spectra alter the expected big bang nucleosynthesis light element abundance yields relative to those in the standard Fermi-Dirac neutrino distribution cases. These yields, sensitive to the shapes of the neutrino energymore » spectra, are also sensitive to the phasing of the growth of distortions and entropy flow with time/scale factor. Finally, we analyze these issues and speculate on new sensitivity limits of deuterium and helium to lepton number.« less

Lepton asymmetry, neutrino spectral distortions, and big bang nucleosynthesis

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

Grohs, E.; Fuller, George M.; Kishimoto, C. T.

In this paper, we calculate Boltzmann neutrino energy transport with self-consistently coupled nuclear reactions through the weak-decoupling-nucleosynthesis epoch in an early universe with significant lepton numbers. We find that the presence of lepton asymmetry enhances processes which give rise to nonthermal neutrino spectral distortions. Our results reveal how asymmetries in energy and entropy density uniquely evolve for different transport processes and neutrino flavors. The enhanced distortions in the neutrino spectra alter the expected big bang nucleosynthesis light element abundance yields relative to those in the standard Fermi-Dirac neutrino distribution cases. These yields, sensitive to the shapes of the neutrino energymore » spectra, are also sensitive to the phasing of the growth of distortions and entropy flow with time/scale factor. Finally, we analyze these issues and speculate on new sensitivity limits of deuterium and helium to lepton number.« less

Two Dimensional Drug Diffusion Between Nanoparticles and Fractal Tumors

NASA Astrophysics Data System (ADS)

Samioti, S. E.; Karamanos, K.; Tsiantis, A.; Papathanasiou, A.; Sarris, I.

2017-11-01

Drug delivery methods based on nanoparticles are some of the most promising medical applications in nanotechnology to treat cancer. It is observed that drug released by nanoparticles to the cancer tumors may be driven by diffusion. A fractal tumor boundary of triangular Von Koch shape is considered here and the diffusion mechanism is studied for different drug concentrations and increased fractality. A high order Finite Elements method based on the Fenics library is incorporated in fine meshes to fully resolve these irregular boundaries. Drug concentration, its transfer rates and entropy production are calculated in an up to forth order fractal iteration boundaries. We observed that diffusion rate diminishes for successive prefractal generations. Also, the entropy production around the system changes greatly as the order of the fractal curve increases. Results indicate with precision where the active sites are, in which most of the diffusion takes place and thus drug arrives to the tumor.

Chaotic density fluctuations in L-mode plasmas of the DIII-D tokamak

DOE PAGES

Maggs, J. E.; Rhodes, Terry L.; Morales, G. J.

2015-03-05

Analysis of the time series obtained with the Doppler backscattering system (DBS) in the DIII-D tokamak shows that intermediate wave number plasma density fluctuations in low confinement (L-mode) tokamak plasmas are chaotic. Here, the supporting evidence is based on the shape of the power spectrum; the location of the signal in the complexity-entropy plane (C-H plane); and the population of the corresponding Bandt-Pompe probability distributions.

Statistical Mechanics Provides Novel Insights into Microtubule Stability and Mechanism of Shrinkage

PubMed Central

Jain, Ishutesh; Inamdar, Mandar M.; Padinhateeri, Ranjith

2015-01-01

Microtubules are nano-machines that grow and shrink stochastically, making use of the coupling between chemical kinetics and mechanics of its constituent protofilaments (PFs). We investigate the stability and shrinkage of microtubules taking into account inter-protofilament interactions and bending interactions of intrinsically curved PFs. Computing the free energy as a function of PF tip position, we show that the competition between curvature energy, inter-PF interaction energy and entropy leads to a rich landscape with a series of minima that repeat over a length-scale determined by the intrinsic curvature. Computing Langevin dynamics of the tip through the landscape and accounting for depolymerization, we calculate the average unzippering and shrinkage velocities of GDP protofilaments and compare them with the experimentally known results. Our analysis predicts that the strength of the inter-PF interaction (Ems) has to be comparable to the strength of the curvature energy (Emb) such that Ems−Emb≈1kBT, and questions the prevalent notion that unzippering results from the domination of bending energy of curved GDP PFs. Our work demonstrates how the shape of the free energy landscape is crucial in explaining the mechanism of MT shrinkage where the unzippered PFs will fluctuate in a set of partially peeled off states and subunit dissociation will reduce the length. PMID:25692909

Predicting species richness and distribution ranges of centipedes at the northern edge of Europe

NASA Astrophysics Data System (ADS)

Georgopoulou, Elisavet; Djursvoll, Per; Simaiakis, Stylianos M.

2016-07-01

In recent decades, interest in understanding species distributions and exploring processes that shape species diversity has increased, leading to the development of advanced methods for the exploitation of occurrence data for analytical and ecological purposes. Here, with the use of georeferenced centipede data, we explore the importance and contribution of bioclimatic variables and land cover, and predict distribution ranges and potential hotspots in Norway. We used a maximum entropy analysis (Maxent) to model species' distributions, aiming at exploring centres of distribution, latitudinal spans and northern range boundaries of centipedes in Norway. The performance of all Maxent models was better than random with average test area under the curve (AUC) values above 0.893 and True Skill Statistic (TSS) values above 0.593. Our results showed a highly significant latitudinal gradient of increased species richness in southern grid-cells. Mean temperatures of warmest and coldest quarters explained much of the potential distribution of species. Predictive modelling analyses revealed that south-eastern Norway and the Atlantic coast in the west (inclusive of the major fjord system of Sognefjord), are local biodiversity hotspots with regard to high predictive species co-occurrence. We conclude that our predicted northward shifts of centipedes' distributions in Norway are likely a result of post-glacial recolonization patterns, species' ecological requirements and dispersal abilities.

SU-E-J-260: Quantitative Image Feature Analysis of Multiphase Liver CT for Hepatocellular Carcinoma (HCC) in Radiation Therapy

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

Choi, W; Wang, J; Lu, W

Purpose: To identify the effective quantitative image features (radiomics features) for prediction of response, survival, recurrence and metastasis of hepatocellular carcinoma (HCC) in radiotherapy. Methods: Multiphase contrast enhanced liver CT images were acquired in 16 patients with HCC on pre and post radiation therapy (RT). In this study, arterial phase CT images were selected to analyze the effectiveness of image features for the prediction of treatment outcome of HCC to RT. Response evaluated by RECIST criteria, survival, local recurrence (LR), distant metastasis (DM) and liver metastasis (LM) were examined. A radiation oncologist manually delineated the tumor and normal liver onmore » pre and post CT scans, respectively. Quantitative image features were extracted to characterize the intensity distribution (n=8), spatial patterns (texture, n=36), and shape (n=16) of the tumor and liver, respectively. Moreover, differences between pre and post image features were calculated (n=120). A total of 360 features were extracted and then analyzed by unpaired student’s t-test to rank the effectiveness of features for the prediction of response. Results: The five most effective features were selected for prediction of each outcome. Significant predictors for tumor response and survival are changes in tumor shape (Second Major Axes Length, p= 0.002; Eccentricity, p=0.0002), for LR, liver texture (Standard Deviation (SD) of High Grey Level Run Emphasis and SD of Entropy, both p=0.005) on pre and post CT images, for DM, tumor texture (SD of Entropy, p=0.01) on pre CT image and for LM, liver (Mean of Cluster Shade, p=0.004) and tumor texture (SD of Entropy, p=0.006) on pre CT image. Intensity distribution features were not significant (p>0.09). Conclusion: Quantitative CT image features were found to be potential predictors of the five endpoints of HCC in RT. This work was supported in part by the National Cancer Institute Grant R01CA172638.« less

The More the Merrier?. Entropy and Statistics of Asexual Reproduction in Freshwater Planarians

NASA Astrophysics Data System (ADS)

Quinodoz, Sofia; Thomas, Michael A.; Dunkel, Jörn; Schötz, Eva-Maria

2011-04-01

The trade-off between traits in life-history strategies has been widely studied for sexual and parthenogenetic organisms, but relatively little is known about the reproduction strategies of asexual animals. Here, we investigate clonal reproduction in the freshwater planarian Schmidtea mediterranea, an important model organism for regeneration and stem cell research. We find that these flatworms adopt a randomized reproduction strategy that comprises both asymmetric binary fission and fragmentation (generation of multiple offspring during a reproduction cycle). Fragmentation in planarians has primarily been regarded as an abnormal behavior in the past; using a large-scale experimental approach, we now show that about one third of the reproduction events in S. mediterranea are fragmentations, implying that fragmentation is part of their normal reproductive behavior. Our analysis further suggests that certain characteristic aspects of the reproduction statistics can be explained in terms of a maximum relative entropy principle.

Water's hydrogen bonds in the hydrophobic effect: a simple model.

PubMed

Xu, Huafeng; Dill, Ken A

2005-12-15

We propose a simple analytical model to account for water's hydrogen bonds in the hydrophobic effect. It is based on computing a mean-field partition function for a water molecule in the first solvation shell around a solute molecule. The model treats the orientational restrictions from hydrogen bonding, and utilizes quantities that can be obtained from bulk water simulations. We illustrate the principles in a 2-dimensional Mercedes-Benz-like model. Our model gives good predictions for the heat capacity of hydrophobic solvation, reproduces the solvation energies and entropies at different temperatures with only one fitting parameter, and accounts for the solute size dependence of the hydrophobic effect. Our model supports the view that water's hydrogen bonding propensity determines the temperature dependence of the hydrophobic effect. It explains the puzzling experimental observation that dissolving a nonpolar solute in hot water has positive entropy.

Exergie /4th revised and enlarged edition/

NASA Astrophysics Data System (ADS)

Baloh, T.; Wittwer, E.

The theoretical concept of exergy is explained and its practical applications are discussed. Equilibrium and thermal equilibrium are reviewed as background, and exergy is considered as a reference point for solid-liquid, liquid-liquid, and liquid-gas systems. Exergetic calculations and their graphic depictions are covered. The concepts of enthalpy and entropy are reviewed in detail, including their applications to gas mixtures, solutions, and isolated substances. The exergy of gas mixtures, solutions, and isolated substances is discussed, including moist air, liquid water in water vapor, dry air, and saturation-limited solutions. Mollier exergy-enthalpy-entropy diagrams are presented for two-component systems, and exergy losses for throttling, isobaric mixing, and heat transfer are addressed. The relationship of exergy to various processes is covered, including chemical processes, combustion, and nuclear reactions. The optimization of evaporation plants through exergy is discussed. Calculative examples are presented for energy production and heating, industrial chemical processes, separation of liquid air, nuclear reactors, and others.

Effect of salt entropy on protein solubility and Hofmeister series

NASA Astrophysics Data System (ADS)

Dahal, Yuba; Schmit, Jeremy

We present a theory of salt effects on protein solubility that accounts for salting-in, salting-out, and the Hofmeister series. We represent protein charge by the first order multipole expansion to include attractive and repulsive electrostatic interactions in the model. Our model also includes non-electrostatic protein-ion interactions, and ion-solvent interactions via an effective solvated ion radius. We find that the finite size of the ions has significant effects on the translational entropy of the salt, which accounts for the changes in the protein solubility. At low salt the dominant effect comes from the entropic cost of confining ions within the aggregate. At high concentrations the salt drives a depletion attraction that favors aggregation. Our theory explains the reversal in the Hofmeister series observed in lysozyme cloud point measurements and semi-quantitatively describes the solubility of lysozyme and chymosin crystals.

A Thermodynamically General Theory for Convective Circulations and Vortices

NASA Astrophysics Data System (ADS)

Renno, N. O.

2007-12-01

Convective circulations and vortices are common features of atmospheres that absorb low-entropy-energy at higher temperatures than they reject high-entropy-energy to space. These circulations range from small to planetary-scale and play an important role in the vertical transport of heat, momentum, and tracer species. Thus, the development of theoretical models for convective phenomena is important to our understanding of many basic features of planetary atmospheres. A thermodynamically general theory for convective circulations and vortices is proposed. The theory includes irreversible processes and quantifies the pressure drop between the environment and any point in a convective updraft. The article's main result is that the proposed theory provides an expression for the pressure drop along streamlines or streamtubes that is a generalization of Bernoulli's equation to convective circulations. We speculate that the proposed theory not only explains the intensity, but also shed light on other basic features of convective circulations and vortices.

Thermodynamics of Liquid Alkali Metals and Their Binary Alloys

NASA Astrophysics Data System (ADS)

Thakor, P. B.; Patel, Minal H.; Gajjar, P. N.; Jani, A. R.

2009-07-01

The theoretical investigation of thermodynamic properties like internal energy, entropy, Helmholtz free energy, heat of mixing (ΔE) and entropy of mixing (ΔS) of liquid alkali metals and their binary alloys are reported in the present paper. The effect of concentration on the thermodynamic properties of Ac1Bc2 alloy of the alkali-alkali elements is investigated and reported for the first time using our well established local pseudopotential. To investigate influence of exchange and correlation effects, we have used five different local field correction functions viz; Hartree(H), Taylor(T), Ichimaru and Utsumi(IU), Farid et al. (F) and Sarkar et al. (S). The increase of concentration C2, increases the internal energy and Helmholtz free energy of liquid alloy Ac1Bc2. The behavior of present computation is not showing any abnormality in the outcome and hence confirms the applicability of our model potential in explaining the thermodynamics of liquid binary alloys.

Conditional entropy in variation-adjusted windows detects selection signatures associated with expression quantitative trait loci (eQTLs)

PubMed Central

2015-01-01

Background Over the past 50,000 years, shifts in human-environmental or human-human interactions shaped genetic differences within and among human populations, including variants under positive selection. Shaped by environmental factors, such variants influence the genetics of modern health, disease, and treatment outcome. Because evolutionary processes tend to act on gene regulation, we test whether regulatory variants are under positive selection. We introduce a new approach to enhance detection of genetic markers undergoing positive selection, using conditional entropy to capture recent local selection signals. Results We use conditional logistic regression to compare our Adjusted Haplotype Conditional Entropy (H|H) measure of positive selection to existing positive selection measures. H|H and existing measures were applied to published regulatory variants acting in cis (cis-eQTLs), with conditional logistic regression testing whether regulatory variants undergo stronger positive selection than the surrounding gene. These cis-eQTLs were drawn from six independent studies of genotype and RNA expression. The conditional logistic regression shows that, overall, H|H is substantially more powerful than existing positive-selection methods in identifying cis-eQTLs against other Single Nucleotide Polymorphisms (SNPs) in the same genes. When broken down by Gene Ontology, H|H predictions are particularly strong in some biological process categories, where regulatory variants are under strong positive selection compared to the bulk of the gene, distinct from those GO categories under overall positive selection. . However, cis-eQTLs in a second group of genes lack positive selection signatures detectable by H|H, consistent with ancient short haplotypes compared to the surrounding gene (for example, in innate immunity GO:0042742); under such other modes of selection, H|H would not be expected to be a strong predictor.. These conditional logistic regression models are adjusted for Minor allele frequency(MAF); otherwise, ascertainment bias is a huge factor in all eQTL data sets. Relationships between Gene Ontology categories, positive selection and eQTL specificity were replicated with H|H in a single larger data set. Our measure, Adjusted Haplotype Conditional Entropy (H|H), was essential in generating all of the results above because it: 1) is a stronger overall predictor for eQTLs than comparable existing approaches, and 2) shows low sequential auto-correlation, overcoming problems with convergence of these conditional regression statistical models. Conclusions Our new method, H|H, provides a consistently more robust signal associated with cis-eQTLs compared to existing methods. We interpret this to indicate that some cis-eQTLs are under positive selection compared to their surrounding genes. Conditional entropy indicative of a selective sweep is an especially strong predictor of eQTLs for genes in several biological processes of medical interest. Where conditional entropy is a weak or negative predictor of eQTLs, such as innate immune genes, this would be consistent with balancing selection acting on such eQTLs over long time periods. Different measures of selection may be needed for variant prioritization under other modes of evolutionary selection. PMID:26111110

Novel dynamic peak and distribution plantar pressure measures on diabetic patients during walking.

PubMed

Al-Angari, Haitham M; Khandoker, Ahsan H; Lee, Sungmun; Almahmeed, Wael; Al Safar, Habiba S; Jelinek, Herbert F; Khalaf, Kinda

2017-01-01

Diabetic peripheral neuropathy (DPN) is a common complication leading to foot ulceration and amputation. Several kinematic, kinetic and plantar pressure measures have been proposed for DPN detection, however findings have been inconsistent. In this work, we present new shape features that capture variations in the plantar pressure using shape and entropy measures to the study of patients with retinopathy, DPN and nephropathy, and a control diabetic group with no complications. The change in the peak plantar pressure (PPP) position with each step for both feet was represented as a convex polygon, asymmetry index, area of the convex polygon, 2nd wavelet moment (WM2) and sample entropy (SamEn). WM2 and the SamEn were more sensitive in capturing variations due to presence of complications than the area and asymmetry measures. WM2 of the left heel (median: 1st IQ, 3rd IQ): 8.27 (4.6,14.8) and left forefoot: 9.2 (2.4,16) were significantly lower for the DPN group compared to the control (CONT) group (heel 11.9 (5.0,16.4); forefoot: 10.3 (4.4,21.3), p < 0.05). SamEn for the DPN group was significantly lower in the right foot compared to the left foot (1.3 (1.26, 1.37) and 1.33 (1.26,1.4), p < 0.01) compared to CONT (right foot: 1.37 (1.24,1.45) and left foot: 1.34 (1.25,1.42), P < 0.05). These new shape and regularity features have shown promising results in detecting diabetic peripheral neuropathy and warrant further investigation. Copyright © 2016 Elsevier B.V. All rights reserved.

What do we gain from simplicity versus complexity in species distribution models?

USGS Publications Warehouse

Merow, Cory; Smith, Matthew J.; Edwards, Thomas C.; Guisan, Antoine; McMahon, Sean M.; Normand, Signe; Thuiller, Wilfried; Wuest, Rafael O.; Zimmermann, Niklaus E.; Elith, Jane

2014-01-01

Species distribution models (SDMs) are widely used to explain and predict species ranges and environmental niches. They are most commonly constructed by inferring species' occurrence–environment relationships using statistical and machine-learning methods. The variety of methods that can be used to construct SDMs (e.g. generalized linear/additive models, tree-based models, maximum entropy, etc.), and the variety of ways that such models can be implemented, permits substantial flexibility in SDM complexity. Building models with an appropriate amount of complexity for the study objectives is critical for robust inference. We characterize complexity as the shape of the inferred occurrence–environment relationships and the number of parameters used to describe them, and search for insights into whether additional complexity is informative or superfluous. By building ‘under fit’ models, having insufficient flexibility to describe observed occurrence–environment relationships, we risk misunderstanding the factors shaping species distributions. By building ‘over fit’ models, with excessive flexibility, we risk inadvertently ascribing pattern to noise or building opaque models. However, model selection can be challenging, especially when comparing models constructed under different modeling approaches. Here we argue for a more pragmatic approach: researchers should constrain the complexity of their models based on study objective, attributes of the data, and an understanding of how these interact with the underlying biological processes. We discuss guidelines for balancing under fitting with over fitting and consequently how complexity affects decisions made during model building. Although some generalities are possible, our discussion reflects differences in opinions that favor simpler versus more complex models. We conclude that combining insights from both simple and complex SDM building approaches best advances our knowledge of current and future species ranges.

Deconfinement as an entropic self-destruction: A solution for the quarkonium suppression puzzle?

DOE PAGES

Kharzeev, Dmitri E.

2014-10-02

The entropic approach to dissociation of bound states immersed in strongly coupled systems is developed. In such systems, the excitations of the bound state are often delocalized and characterized by a large entropy, so that the bound state is strongly entangled with the rest of the statistical system. If this entropy S increases with the separation r between the constituents of the bound state, S=S(r), then the resulting entropic force F=T ∂S/∂r (T is temperature) can drive the dissociation process. As a specific example, we consider the case of heavy quarkonium in strongly coupled quark-gluon plasma, where lattice QCD indicatesmore » a large amount of entropy associated with the heavy quark pair at temperatures 0.9T c ≤ T ≤ 1.5T c (T c is the deconfinement temperature); this entropy S(r) grows with the interquark distance r. We argue that the entropic mechanism results in an anomalously strong quarkonium suppression in the temperature range near T c. This entropic self-destruction may thus explain why the experimentally measured quarkonium nuclear modification factor at RHIC (lower energy density) is smaller than at LHC (higher energy density), possibly resolving the “quarkonium suppression puzzle”—all of the previously known mechanisms of quarkonium dissociation operate more effectively at higher energy densities, and this contradicts the data. As a result, we find that near T c the entropic force leads to delocalization of the bound hadron states; we argue that this delocalization may be the mechanism underlying deconfinement.« less

Will molecular dynamics simulations of proteins ever reach equilibrium?

PubMed

Genheden, Samuel; Ryde, Ulf

2012-06-28

We show that conformational entropies calculated for five proteins and protein-ligand complexes with dihedral-distribution histogramming, the von Mises approach, or quasi-harmonic analysis do not converge to any useful precision even if molecular dynamics (MD) simulations of 380-500 ns length are employed (the uncertainty is 12-89 kJ mol(-1)). To explain this, we suggest a simple protein model involving dihedrals with effective barriers forming a uniform distribution and show that for such a model, the entropy increases logarithmically with time until all significantly populated dihedral states have been sampled, in agreement with the simulations (during the simulations, 52-70% of the available dihedral phase space has been visited). This is also confirmed by the analysis of the trajectories of a 1 ms simulation of bovine pancreatic trypsin inhibitor (31 kJ mol(-1) difference in the entropy between the first and second part of the simulation). Strictly speaking, this means that it is practically impossible to equilibrate MD simulations of proteins. We discuss the implications of such a lack of strict equilibration of protein MD simulations and show that ligand-binding free energies estimated with the MM/GBSA method (molecular mechanics with generalised Born and surface-area solvation) vary by 3-15 kJ mol(-1) during a 500 ns simulation (the higher estimate is caused by rare conformational changes), although they involve a questionable but well-converged normal-mode entropy estimate, whereas free energies estimated by free-energy perturbation vary by less than 0.6 kJ mol(-1) for the same simulation.

Griffiths-like phase, critical behavior near the paramagnetic-ferromagnetic phase transition and magnetic entropy change of nanocrystalline La0.75Ca0.25MnO3

NASA Astrophysics Data System (ADS)

Phong, P. T.; Ngan, L. T. T.; Dang, N. V.; Nguyen, L. H.; Nam, P. H.; Thuy, D. M.; Tuan, N. D.; Bau, L. V.; Lee, I. J.

2018-03-01

In this work, we report the structural and magnetic properties of La0.75Ca0.25MnO3 nanoparticles synthesized by the sol-gel route. Rietvield refinement of X-ray powder diffraction confirms that our sample is single phase and crystallizes in orthorhombic system with Pnma space group. The facts that effective magnetic moment is large and the inverse susceptibility deviates from the Curie Weiss lawn indicate the presence of Griffiths-like cluster phase. The critical exponents have been estimated using different techniques such as modified Arrott plot, Kouvel-Fisher plot and critical isotherm technique. The critical exponents values of La0.75Ca0.25MnO3 are very close to those found out by the mean-field model, and this can be explained by the existence of a long-range interactions between spins in this system. These results were in good agreement with those obtained using the critical exponents of magnetic entropy change. The self-consistency and reliability of the critical exponent was verified by the Widom scaling law and the universal scaling hypothesis. Using the Harris criterion, we deduced that the disorder is relevant in our case. The maximum magnetic entropy change (ΔSM) calculated from the M-H measurements is 3.47 J/kg K under an external field change of 5 T. The ΔSM-T curves collapsed onto a single master curve regardless of the composition and the applied field, confirming the magnetic ordering is of second order nature. The obtained result was compared to ones calculated based on the Arrott plot and a good concordance is observed. Moreover, the spontaneous magnetization obtained from the entropy change is in excellent agreement with that deduced by classically extrapolation the Arrott curves. This result confirms the validity of the estimation of the spontaneous magnetization using the magnetic entropy change.

Avian egg shape: Form, function, and evolution.

PubMed

Stoddard, Mary Caswell; Yong, Ee Hou; Akkaynak, Derya; Sheard, Catherine; Tobias, Joseph A; Mahadevan, L

2017-06-23

Avian egg shape is generally explained as an adaptation to life history, yet we currently lack a global synthesis of how egg-shape differences arise and evolve. Here, we apply morphometric, mechanistic, and macroevolutionary analyses to the egg shapes of 1400 bird species. We characterize egg-shape diversity in terms of two biologically relevant variables, asymmetry and ellipticity, allowing us to quantify the observed morphologies in a two-dimensional morphospace. We then propose a simple mechanical model that explains the observed egg-shape diversity based on geometric and material properties of the egg membrane. Finally, using phylogenetic models, we show that egg shape correlates with flight ability on broad taxonomic scales, suggesting that adaptations for flight may have been critical drivers of egg-shape variation in birds. Copyright © 2017 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

Einsteinian Revolution's Misinterpretation: no True Black Holes, no Information Paradox: Just Quasi-Static Balls of Quark Gluon Plasma

NASA Astrophysics Data System (ADS)

Mitra, Abhas

2014-03-01

Even if one would assume the astrophysical massive compact objects (MCOs) to be Black Holes (BHs), no energy can be extracted from them because neutral vacuum BHs cannot acquire any (induced) electromagnetic property, neither can any current emerge from the central singularity. This is so despite wishful models claiming the contrary by attributing the Event Horizon (EH) or an imaginary "membrane" with wishful electromagnetic properties. Similarly various Quantum Gravity (QG) theories too attribute various imaginary and mysterious properties like "Brick Wall", "Fire Wall" with the EH even after claiming that the vacuum EH is a perfectly regular spacetime without any special property! The vacuum EH is also associated with imaginary material structures and entropy in a completely self-contradictory manner. To legitimize such contradictions & fudge, the "Holography" principle is invoked by which the information contained within the 3-D BH interior is hypothesized to be encoded on the 2-D EH. Further, some QG theories try to explain gravity & BH entropy (SBH) in terms of random motion of "atoms of vacuum" of dimension ~ ℓp (Planck Length). But since ℓp → 0 as ħ → 0, a classical vacuum would possess infinite entropy by such a hypothesis and so spacetime may not be granular ever. It is asserted that though BHs correspond to exact General Relativistic solutions, the relevant integration constants are zero, i.e., a Schwarzschild BH has M = 0 (Mitra, JMP 2009), and Kerr BHs too correspond to M = a = 0, implying SBH = 0 & BHs are asymptotic ground states of preceding collapse which radiates away entire mass-energy, angular momentum & entropy. Thus the finite mass BH Candidates must be Quasi-BHs. It has been shown that the most natural case for Quasi BHs are ultra-magnetized hot quasi-static balls of plasma, Magnetospheric Eternally Collapsing Objects (MECOs) radiating at their Eddington Luminosity. Spinning MECOs behave like ultramagatic GR pulsars and may naturally explain high energy astrophysical phenomena. Since there is no true BH, there no quantum "Information Paradox", no need for "Holography", no need to bid farewell to physical reality. As spactime membrane gets infinitely stretched and no singularity is formed, there is probably no need for any fictitious QG. Gravity may always remain classical and separated from other interactions like oil & water.

Effects of lengthscales and attractions on the collapse of hydrophobic polymers in water

PubMed Central

Athawale, Manoj V.; Goel, Gaurav; Ghosh, Tuhin; Truskett, Thomas M.; Garde, Shekhar

2007-01-01

We present results from extensive molecular dynamics simulations of collapse transitions of hydrophobic polymers in explicit water focused on understanding effects of lengthscale of the hydrophobic surface and of attractive interactions on folding. Hydrophobic polymers display parabolic, protein-like, temperature-dependent free energy of unfolding. Folded states of small attractive polymers are marginally stable at 300 K and can be unfolded by heating or cooling. Increasing the lengthscale or decreasing the polymer–water attractions stabilizes folded states significantly, the former dominated by the hydration contribution. That hydration contribution can be described by the surface tension model, ΔG = γ(T)ΔA, where the surface tension, γ, is lengthscale-dependent and decreases monotonically with temperature. The resulting variation of the hydration entropy with polymer lengthscale is consistent with theoretical predictions of Huang and Chandler [Huang DM, Chandler D (2000) Proc Natl Acad Sci USA 97:8324–8327] that explain the blurring of entropy convergence observed in protein folding thermodynamics. Analysis of water structure shows that the polymer–water hydrophobic interface is soft and weakly dewetted, and is characterized by enhanced interfacial density fluctuations. Formation of this interface, which induces polymer folding, is strongly opposed by enthalpy and favored by entropy, similar to the vapor–liquid interface. PMID:17215352

Cascades and Dissipative Anomalies in Compressible Fluid Turbulence

NASA Astrophysics Data System (ADS)

Eyink, Gregory L.; Drivas, Theodore D.

2018-02-01

We investigate dissipative anomalies in a turbulent fluid governed by the compressible Navier-Stokes equation. We follow an exact approach pioneered by Onsager, which we explain as a nonperturbative application of the principle of renormalization-group invariance. In the limit of high Reynolds and Péclet numbers, the flow realizations are found to be described as distributional or "coarse-grained" solutions of the compressible Euler equations, with standard conservation laws broken by turbulent anomalies. The anomalous dissipation of kinetic energy is shown to be due not only to local cascade but also to a distinct mechanism called pressure-work defect. Irreversible heating in stationary, planar shocks with an ideal-gas equation of state exemplifies the second mechanism. Entropy conservation anomalies are also found to occur via two mechanisms: an anomalous input of negative entropy (negentropy) by pressure work and a cascade of negentropy to small scales. We derive "4 /5 th-law"-type expressions for the anomalies, which allow us to characterize the singularities (structure-function scaling exponents) required to sustain the cascades. We compare our approach with alternative theories and empirical evidence. It is argued that the "Big Power Law in the Sky" observed in electron density scintillations in the interstellar medium is a manifestation of a forward negentropy cascade or an inverse cascade of usual thermodynamic entropy.

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

PubMed

Bergeron, Dominic; Tremblay, A-M S

2016-08-01

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

Algorithms for optimized maximum entropy and diagnostic tools for analytic continuation

NASA Astrophysics Data System (ADS)

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

2016-08-01

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

Maximum Entropy Methods as the Bridge Between Microscopic and Macroscopic Theory

NASA Astrophysics Data System (ADS)

Taylor, Jamie M.

2016-09-01

This paper is concerned with an investigation into a function of macroscopic variables known as the singular potential, building on previous work by Ball and Majumdar. The singular potential is a function of the admissible statistical averages of probability distributions on a state space, defined so that it corresponds to the maximum possible entropy given known observed statistical averages, although non-classical entropy-like objective functions will also be considered. First the set of admissible moments must be established, and under the conditions presented in this work the set is open, bounded and convex allowing a description in terms of supporting hyperplanes, which provides estimates on the development of singularities for related probability distributions. Under appropriate conditions it is shown that the singular potential is strictly convex, as differentiable as the microscopic entropy, and blows up uniformly as the macroscopic variable tends to the boundary of the set of admissible moments. Applications of the singular potential are then discussed, and particular consideration will be given to certain free-energy functionals typical in mean-field theory, demonstrating an equivalence between certain microscopic and macroscopic free-energy functionals. This allows statements about L^1-local minimisers of Onsager's free energy to be obtained which cannot be given by two-sided variations, and overcomes the need to ensure local minimisers are bounded away from zero and +∞ before taking L^∞ variations. The analysis also permits the definition of a dual order parameter for which Onsager's free energy allows an explicit representation. Also, the difficulties in approximating the singular potential by everywhere defined functions, in particular by polynomial functions, are addressed, with examples demonstrating the failure of the Taylor approximation to preserve relevant shape properties of the singular potential.

Exploring Biomolecular Recognition by Modeling and Simulation

NASA Astrophysics Data System (ADS)

Wade, Rebecca

2007-12-01

Biomolecular recognition is complex. The balance between the different molecular properties that contribute to molecular recognition, such as shape, electrostatics, dynamics and entropy, varies from case to case. This, along with the extent of experimental characterization, influences the choice of appropriate computational approaches to study biomolecular interactions. I will present computational studies in which we aim to make concerted use of bioinformatics, biochemical network modeling and molecular simulation techniques to study protein-protein and protein-small molecule interactions and to facilitate computer-aided drug design.

Size- and shape-dependent surface thermodynamic properties of nanocrystals

NASA Astrophysics Data System (ADS)

Fu, Qingshan; Xue, Yongqiang; Cui, Zixiang

2018-05-01

As the fundamental properties, the surface thermodynamic properties of nanocrystals play a key role in the physical and chemical changes. However, it remains ambiguous about the quantitative influence regularities of size and shape on the surface thermodynamic properties of nanocrystals. Thus by introducing interface variables into the Gibbs energy and combining Young-Laplace equation, relations between the surface thermodynamic properties (surface Gibbs energy, surface enthalpy, surface entropy, surface energy and surface heat capacity), respectively, and size of nanocrystals with different shapes were derived. Theoretical estimations of the orders of the surface thermodynamic properties of nanocrystals agree with available experimental values. Calculated results of the surface thermodynamic properties of Au, Bi and Al nanocrystals suggest that when r > 10 nm, the surface thermodynamic properties linearly vary with the reciprocal of particle size, and when r < 10 nm, the effect of particle size on the surface thermodynamic properties becomes greater and deviates from linear variation. For nanocrystals with identical equivalent diameter, the more the shape deviates from sphere, the larger the surface thermodynamic properties (absolute value) are.

On the maximum-entropy/autoregressive modeling of time series

NASA Technical Reports Server (NTRS)

Chao, B. F.

1984-01-01

The autoregressive (AR) model of a random process is interpreted in the light of the Prony's relation which relates a complex conjugate pair of poles of the AR process in the z-plane (or the z domain) on the one hand, to the complex frequency of one complex harmonic function in the time domain on the other. Thus the AR model of a time series is one that models the time series as a linear combination of complex harmonic functions, which include pure sinusoids and real exponentials as special cases. An AR model is completely determined by its z-domain pole configuration. The maximum-entropy/autogressive (ME/AR) spectrum, defined on the unit circle of the z-plane (or the frequency domain), is nothing but a convenient, but ambiguous visual representation. It is asserted that the position and shape of a spectral peak is determined by the corresponding complex frequency, and the height of the spectral peak contains little information about the complex amplitude of the complex harmonic functions.

Multivariate quadrature for representing cloud condensation nuclei activity of aerosol populations

DOE PAGES

Fierce, Laura; McGraw, Robert L.

2017-07-26

Here, sparse representations of atmospheric aerosols are needed for efficient regional- and global-scale chemical transport models. Here we introduce a new framework for representing aerosol distributions, based on the quadrature method of moments. Given a set of moment constraints, we show how linear programming, combined with an entropy-inspired cost function, can be used to construct optimized quadrature representations of aerosol distributions. The sparse representations derived from this approach accurately reproduce cloud condensation nuclei (CCN) activity for realistically complex distributions simulated by a particleresolved model. Additionally, the linear programming techniques described in this study can be used to bound key aerosolmore » properties, such as the number concentration of CCN. Unlike the commonly used sparse representations, such as modal and sectional schemes, the maximum-entropy approach described here is not constrained to pre-determined size bins or assumed distribution shapes. This study is a first step toward a particle-based aerosol scheme that will track multivariate aerosol distributions with sufficient computational efficiency for large-scale simulations.« less

Multivariate quadrature for representing cloud condensation nuclei activity of aerosol populations

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

Fierce, Laura; McGraw, Robert L.

Here, sparse representations of atmospheric aerosols are needed for efficient regional- and global-scale chemical transport models. Here we introduce a new framework for representing aerosol distributions, based on the quadrature method of moments. Given a set of moment constraints, we show how linear programming, combined with an entropy-inspired cost function, can be used to construct optimized quadrature representations of aerosol distributions. The sparse representations derived from this approach accurately reproduce cloud condensation nuclei (CCN) activity for realistically complex distributions simulated by a particleresolved model. Additionally, the linear programming techniques described in this study can be used to bound key aerosolmore » properties, such as the number concentration of CCN. Unlike the commonly used sparse representations, such as modal and sectional schemes, the maximum-entropy approach described here is not constrained to pre-determined size bins or assumed distribution shapes. This study is a first step toward a particle-based aerosol scheme that will track multivariate aerosol distributions with sufficient computational efficiency for large-scale simulations.« less

High-Temperature Oxidation Behavior of Al-Co-Cr-Ni-(Fe or Si) Multicomponent High-Entropy Alloys

NASA Astrophysics Data System (ADS)

Butler, T. M.; Alfano, J. P.; Martens, R. L.; Weaver, M. L.

2015-01-01

High-entropy alloys (HEAs) are a class of alloys that are being considered for a number of applications. In the present study, the microstructures and 1050°C oxidation behaviors of two HEAs, Al10Cr22.5Co22.5Ni22.5Fe22.5 (at.%) and Al20Cr25Co25Ni25Si5 have been investigated along with Al15Cr10Co35Ni35Si5, which is a high-temperature shape-memory alloy. Oxide formation occurred via selective oxidation in a manner that was consistent with the oxide formation model devised by Giggins and Pettit for model Ni-Cr-Al alloys. The lower Al content alloy formed an external Cr2O3 scale and an internal subscale consisting of Al2O3 and AlN precipitates. The higher Al content alloys exhibited smaller mass gains and formed external Al2O3 scales without any internal oxidation of the alloys.

Modular Hamiltonians on the null plane and the Markov property of the vacuum state

NASA Astrophysics Data System (ADS)

Casini, Horacio; Testé, Eduardo; Torroba, Gonzalo

2017-09-01

We compute the modular Hamiltonians of regions having the future horizon lying on a null plane. For a CFT this is equivalent to regions with a boundary of arbitrary shape lying on the null cone. These Hamiltonians have a local expression on the horizon formed by integrals of the stress tensor. We prove this result in two different ways, and show that the modular Hamiltonians of these regions form an infinite dimensional Lie algebra. The corresponding group of unitary transformations moves the fields on the null surface locally along the null generators with arbitrary null line dependent velocities, but act non-locally outside the null plane. We regain this result in greater generality using more abstract tools on the algebraic quantum field theory. Finally, we show that modular Hamiltonians on the null surface satisfy a Markov property that leads to the saturation of the strong sub-additive inequality for the entropies and to the strong super-additivity of the relative entropy.

Molecular dynamics and residual entropy in the soft crystal, SmE phase, of 4-butyl-4'-isothiocyano-1,1'-biphenyl.

PubMed

Ishimaru, Shin'ichi; Saito, Kazuya; Ikeuchi, Satoaki; Massalska-Arodz, Maria; Witko, Waclaw

2005-05-26

Molecular dynamics and resulting disorder in the soft crystal, smectic E (SmE) phase, were studied in detail for the title compound, 4-butyl-4'-isothiocyano-1,1'-biphenyl (4TCB), by (1)H NMR spectroscopy and adiabatic calorimetry. The ordered crystal phase of 4TCB was realized for the first time under ambient pressure after long two-step annealing and used as the reference state in the analysis of the experimental results. Four motional modes were identified in the SmE phase through the analysis of the (1)H NMR T(1). The residual entropy was determined as ca. 6 J K(-1) mol(-1). This magnitude implies that most of the disorder in the SmE phase at high temperatures is removed on cooling except for the head-to-tail disorder of the rod-shaped 4TCB molecule. Standard thermodynamic functions are tabulated below 375 K.

The Dominant Folding Route Minimizes Backbone Distortion in SH3

PubMed Central

Lammert, Heiko; Noel, Jeffrey K.; Onuchic, José N.

2012-01-01

Energetic frustration in protein folding is minimized by evolution to create a smooth and robust energy landscape. As a result the geometry of the native structure provides key constraints that shape protein folding mechanisms. Chain connectivity in particular has been identified as an essential component for realistic behavior of protein folding models. We study the quantitative balance of energetic and geometrical influences on the folding of SH3 in a structure-based model with minimal energetic frustration. A decomposition of the two-dimensional free energy landscape for the folding reaction into relevant energy and entropy contributions reveals that the entropy of the chain is not responsible for the folding mechanism. Instead the preferred folding route through the transition state arises from a cooperative energetic effect. Off-pathway structures are penalized by excess distortion in local backbone configurations and contact pair distances. This energy cost is a new ingredient in the malleable balance of interactions that controls the choice of routes during protein folding. PMID:23166485

Microstructure and Tribological Properties of AlCoCrFeNiTi0.5 High-Entropy Alloy in Hydrogen Peroxide Solution

NASA Astrophysics Data System (ADS)

Yu, Y.; Liu, W. M.; Zhang, T. B.; Li, J. S.; Wang, J.; Kou, H. C.; Li, J.

2014-01-01

Microstructure and tribological properties of an AlCoCrFeNiTi0.5 high-entropy alloy in high-concentration hydrogen peroxide solution were investigated in this work. The results show that the sigma phase precipitates and the content of bcc2 decrease during the annealing process. Meanwhile, the complex construction of the interdendrite region changes into simple isolated-island shape, and much more spherical precipitates are formed. Those changes of microstructure during the annealing process lead to the increase of hardness of this alloy. In the testing conditions, the AlCoCrFeNiTi0.5 alloy shows smoother worn surfaces and steadier coefficient of friction curves than does the 1Cr18Ni9Ti stainless steel, and SiC ceramic preserves better wear resistance than ZrO2 ceramic. After annealing, the wear resistance of the AlCoCrFeNiTi0.5 alloy increases coupled with SiC counterface but decreases with ZrO2 counterface.

Flow field predictions for a slab delta wing at incidence

NASA Technical Reports Server (NTRS)

Conti, R. J.; Thomas, P. D.; Chou, Y. S.

1972-01-01

Theoretical results are presented for the structure of the hypersonic flow field of a blunt slab delta wing at moderately high angle of attack. Special attention is devoted to the interaction between the boundary layer and the inviscid entropy layer. The results are compared with experimental data. The three-dimensional inviscid flow is computed numerically by a marching finite difference method. Attention is concentrated on the windward side of the delta wing, where detailed comparisons are made with the data for shock shape and surface pressure distributions. Surface streamlines are generated, and used in the boundary layer analysis. The three-dimensional laminar boundary layer is computed numerically using a specially-developed technique based on small cross-flow in streamline coordinates. In the rear sections of the wing the boundary layer decreases drastically in the spanwise direction, so that it is still submerged in the entropy layer at the centerline, but surpasses it near the leading edge. Predicted heat transfer distributions are compared with experimental data.

Positive gravitational subsystem energies from CFT cone relative entropies

NASA Astrophysics Data System (ADS)

Neuenfeld, Dominik; Saraswat, Krishan; Van Raamsdonk, Mark

2018-06-01

The positivity of relative entropy for spatial subsystems in a holographic CFT implies the positivity of certain quantities in the dual gravitational theory. In this note, we consider CFT subsystems whose boundaries lie on the lightcone of a point p. We show that the positive gravitational quantity which corresponds to the relative entropy for such a subsystem A is a novel notion of energy associated with a gravitational subsystem bounded by the minimal area extremal surface à associated with A and by the AdS boundary region  corresponding to the part of the lightcone from p bounded by ∂ A. This generalizes the results of arXiv:1605.01075 for ball-shaped regions by making use of the recent results in arXiv:1703.10656 for the vacuum modular Hamiltonian of regions bounded on lightcones. As part of our analysis, we give an analytic expression for the extremal surface in pure AdS associated with any such region A. We note that its form immediately implies the Markov property of the CFT vacuum (saturation of strong subadditivity) for regions bounded on the same lightcone. This gives a holographic proof of the result proven for general CFTs in arXiv:1703.10656. A similar holographic proof shows the Markov property for regions bounded on a lightsheet for non-conformal holographic theories defined by relevant perturbations of a CFT.

Bimodal behavior of post-measured entropy and one-way quantum deficit for two-qubit X states

NASA Astrophysics Data System (ADS)

Yurischev, Mikhail A.

2018-01-01

A method for calculating the one-way quantum deficit is developed. It involves a careful study of post-measured entropy shapes. We discovered that in some regions of X-state space the post-measured entropy \\tilde{S} as a function of measurement angle θ \\in [0,π /2] exhibits a bimodal behavior inside the open interval (0,π /2), i.e., it has two interior extrema: one minimum and one maximum. Furthermore, cases are found when the interior minimum of such a bimodal function \\tilde{S}(θ ) is less than that one at the endpoint θ =0 or π /2. This leads to the formation of a boundary between the phases of one-way quantum deficit via finite jumps of optimal measured angle from the endpoint to the interior minimum. Phase diagram is built up for a two-parameter family of X states. The subregions with variable optimal measured angle are around 1% of the total region, with their relative linear sizes achieving 17.5%, and the fidelity between the states of those subregions can be reduced to F=0.968. In addition, a correction to the one-way deficit due to the interior minimum can achieve 2.3%. Such conditions are favorable to detect the subregions with variable optimal measured angle of one-way quantum deficit in an experiment.

Teaching Valence Shell Electron Pair Repulsion (VSEPR) Theory

ERIC Educational Resources Information Center

Talbot, Christopher; Neo, Choo Tong

2013-01-01

This "Science Note" looks at the way that the shapes of simple molecules can be explained in terms of the number of electron pairs in the valence shell of the central atom. This theory is formally known as valence shell electron pair repulsion (VSEPR) theory. The article explains the preferred shape of chlorine trifluoride (ClF3),…

Heat capacity and magnetocaloric effect in polycrystalline Gd 1-xSm xMn 2Si 2

NASA Astrophysics Data System (ADS)

Kumar, Pramod; Singh, Niraj K.; Suresh, K. G.; Nigam, A. K.; Malik, S. K.

2007-12-01

We report the magnetocaloric effect in terms of isothermal magnetic entropy change as well as adiabatic temperature change, calculated using the heat capacity data. Using the zero-field heat capacity data, the magnetic contribution to the heat capacity has been estimated. The variations in the magnetocaloric behavior have been explained on the basis of the magnetic structure of these compounds. The refrigerant capacities have also been calculated for these compounds.

Cell Division and Evolution of Biological Tissues

NASA Astrophysics Data System (ADS)

Rivier, Nicolas; Arcenegui-Siemens, Xavier; Schliecker, Gudrun

A tissue is a geometrical, space-filling, random cellular network; it remains in this steady state while individual cells divide. Cell division (fragmentation) is a local, elementary topological transformation which establishes statistical equilibrium of the structure. Statistical equilibrium is characterized by observable relations (Lewis, Aboav) between cell shapes, sizes and those of their neighbours, obtained through maximum entropy and topological correlation extending to nearest neighbours only, i.e. maximal randomness. For a two-dimensional tissue (epithelium), the distribution of cell shapes and that of mother and daughter cells can be obtained from elementary geometrical and physical arguments, except for an exponential factor favouring division of larger cells, and exponential and combinatorial factors encouraging a most symmetric division. The resulting distributions are very narrow, and stationarity severely restricts the range of an adjustable structural parameter

Hydraulic effects in a radiative atmosphere with ionization

NASA Astrophysics Data System (ADS)

Bhat, P.; Brandenburg, A.

2016-03-01

Context. In his 1978 paper, Eugene Parker postulated the need for hydraulic downward motion to explain magnetic flux concentrations at the solar surface. A similar process has also recently been seen in simplified (e.g., isothermal) models of flux concentrations from the negative effective magnetic pressure instability (NEMPI). Aims: We study the effects of partial ionization near the radiative surface on the formation of these magnetic flux concentrations. Methods: We first obtain one-dimensional (1D) equilibrium solutions using either a Kramers-like opacity or the H- opacity. The resulting atmospheres are then used as initial conditions in two-dimensional (2D) models where flows are driven by an imposed gradient force that resembles a localized negative pressure in the form of a blob. To isolate the effects of partial ionization and radiation, we ignore turbulence and convection. Results: Because of partial ionization, an unstable stratification always forms near the surface. We show that the extrema in the specific entropy profiles correspond to the extrema in the degree of ionization. In the 2D models without partial ionization, strong flux concentrations form just above the height where the blob is placed. Interestingly, in models with partial ionization, such flux concentrations always form at the surface well above the blob. This is due to the corresponding negative gradient in specific entropy. Owing to the absence of turbulence, the downflows reach transonic speeds. Conclusions: We demonstrate that, together with density stratification, the imposed source of negative pressure drives the formation of flux concentrations. We find that the inclusion of partial ionization affects the entropy profile dramatically, causing strong flux concentrations to form closer to the surface. We speculate that turbulence effects are needed to limit the strength of flux concentrations and homogenize the specific entropy to a stratification that is close to marginal.

Decoupling interface effect on the phase stability of CdS thin films by van der Waals heteroepitaxy

NASA Astrophysics Data System (ADS)

Sun, Xin; Wang, Yiping; Seewald, Lucas J.; Chen, Zhizhong; Shi, Jian; Washington, Morris A.; Lu, Toh-Ming

2017-01-01

Wurtzite (W) and zinc-blende (ZB) polytypism has long been observed in epitaxial CdS thin films. The present work, based on van der Waals epitaxial CdS thin films, is an attempt to explain which crystal modification, W or ZB, is favored under different growth conditions. In this van der Waals epitaxy system where the substrate influence is considered weak, it is found that the substrate temperature plays a crucial role in determining the crystal modification of CdS, that is, W and ZB CdS are more stable at low and high ends of substrate temperature, respectively. We attribute this temperature effect to the entropy difference (SW < SZB), a conclusion well supported by the thermodynamic hard sphere model formulation of the entropy difference between hexagonal close-packed and face-centered cubic structures. By summarizing other works, we find that the entropy difference model can also be applied to large mismatched (≳3%) CdS-substrate chemical epitaxy systems but not for small mismatched (≲3%) ones. In the latter case, the energy benefit in terms of high density of bonding contributed by the substrate-film interface is believed to be too overwhelming for the intrinsic entropy difference to overcome. Furthermore, the deposition rate is found to affect the crystalline quality and strain level in CdS films but not the crystal modification of the CdS films. Last, Raman and photoluminescence spectroscopies reveal the strain behaviors in the films. The phase change from W to ZB CdS is well-correlated with the observed peak shifts in Raman and photoluminescence spectroscopies.

Detection of direct and indirect noise generated by synthetic hot spots in a duct

NASA Astrophysics Data System (ADS)

De Domenico, Francesca; Rolland, Erwan O.; Hochgreb, Simone

2017-04-01

Sound waves in a combustor are generated from fluctuations in the heat release rate (direct noise) or the acceleration of entropy, vorticity or compositional perturbations through nozzles or turbine guide vanes (indirect or entropy noise). These sound waves are transmitted downstream as well as reflected upstream of the acceleration point, contributing to the overall noise emissions, or triggering combustion instabilities. Previous experiments attempted to isolate indirect noise by generating thermoacoustic hot spots electrically and measuring the transmitted acoustic waves, yet there are no measurements on the backward propagating entropy and acoustic waves. This work presents the first measurements which clearly separate the direct and indirect noise contributions to pressure fluctuations upstream of the acceleration point. Synthetic entropy spots are produced by unsteady electrical heating of a grid of thin wires located in a tube. Compression waves (direct noise) are generated from this heating process. The hot spots are then advected with the mean flow and finally accelerated through an orifice plate located at the end of the tube, producing a strong acoustic signature which propagates upstream (indirect noise). The convective time is selected to be longer than the heating pulse length, in order to obtain a clear time separation between direct and indirect noise in the overall pressure trace. The contribution of indirect noise to the overall noise is shown to be non-negligible either in subsonic or sonic throat conditions. However, the absolute amplitude of direct noise is larger than the corresponding fraction of indirect noise, explaining the difficulty in clearly identifying the two contributions when they are merged. Further, the work shows the importance of using appropriate pressure transducer instrumentation and correcting for the respective transfer functions in order to account for low frequency effects in the determination of pressure fluctuations.

Sheet-like assemblies of spherical particles with point-symmetrical patches.

PubMed

Mani, Ethayaraja; Sanz, Eduardo; Roy, Soumyajit; Dijkstra, Marjolein; Groenewold, Jan; Kegel, Willem K

2012-04-14

We report a computational study on the spontaneous self-assembly of spherical particles into two-dimensional crystals. The experimental observation of such structures stabilized by spherical objects appeared paradoxical so far. We implement patchy interactions with the patches point-symmetrically (icosahedral and cubic) arranged on the surface of the particle. In these conditions, preference for self-assembly into sheet-like structures is observed. We explain our findings in terms of the inherent symmetry of the patches and the competition between binding energy and vibrational entropy. The simulation results explain why hollow spherical shells observed in some Keplerate-type polyoxometalates (POM) appear. Our results also provide an explanation for the experimentally observed layer-by-layer growth of apoferritin--a quasi-spherical protein.

Information Geometry for Landmark Shape Analysis: Unifying Shape Representation and Deformation

PubMed Central

Peter, Adrian M.; Rangarajan, Anand

2010-01-01

Shape matching plays a prominent role in the comparison of similar structures. We present a unifying framework for shape matching that uses mixture models to couple both the shape representation and deformation. The theoretical foundation is drawn from information geometry wherein information matrices are used to establish intrinsic distances between parametric densities. When a parameterized probability density function is used to represent a landmark-based shape, the modes of deformation are automatically established through the information matrix of the density. We first show that given two shapes parameterized by Gaussian mixture models (GMMs), the well-known Fisher information matrix of the mixture model is also a Riemannian metric (actually, the Fisher-Rao Riemannian metric) and can therefore be used for computing shape geodesics. The Fisher-Rao metric has the advantage of being an intrinsic metric and invariant to reparameterization. The geodesic—computed using this metric—establishes an intrinsic deformation between the shapes, thus unifying both shape representation and deformation. A fundamental drawback of the Fisher-Rao metric is that it is not available in closed form for the GMM. Consequently, shape comparisons are computationally very expensive. To address this, we develop a new Riemannian metric based on generalized ϕ-entropy measures. In sharp contrast to the Fisher-Rao metric, the new metric is available in closed form. Geodesic computations using the new metric are considerably more efficient. We validate the performance and discriminative capabilities of these new information geometry-based metrics by pairwise matching of corpus callosum shapes. We also study the deformations of fish shapes that have various topological properties. A comprehensive comparative analysis is also provided using other landmark-based distances, including the Hausdorff distance, the Procrustes metric, landmark-based diffeomorphisms, and the bending energies of the thin-plate (TPS) and Wendland splines. PMID:19110497

A comparative entropy based analysis of Cu and Fe3O4/methanol Powell-Eyring nanofluid in solar thermal collectors subjected to thermal radiation, variable thermal conductivity and impact of different nanoparticles shape

NASA Astrophysics Data System (ADS)

Jamshed, Wasim; Aziz, Asim

2018-06-01

The efficiency of any nanofluid based thermal solar system depend on the thermophysical properties of the operating fluids, type and shape of nanoparticles, nanoparticles volumetric concentration in the base fluid and the geometry/length of the system in which fluid is flowing. The recent research in the field of thermal solar energy has been focused to increase the efficiency of solar thermal collector systems. In the present research a simplified mathematical model is studied for inclusion in the thermal solar systems with the aim to improve the overall efficiency of the system. The flow of Powell-Eyring nanofluid is induced by non-uniform stretching of porous horizontal surface with fluid occupying a space over the surface. The thermal conductivity of the nanofluid is to vary as a linear function of temperature and the thermal radiation is to travel a short distance in the optically thick nanofluid. Numerical scheme of Keller box is implemented on the system of nonlinear ordinary differential equations, which are resultant after application of similarity transformation to governing nonlinear partial differential equations. The impact of non dimensional physical parameters appearing in the system have been observed on velocity and temperature profiles along with the entropy of the system. The velocity gradient (skin friction coefficient) and the strength of convective heat exchange (Nusselt number) are also investigated.

A supervised learning approach for Crohn's disease detection using higher-order image statistics and a novel shape asymmetry measure.

PubMed

Mahapatra, Dwarikanath; Schueffler, Peter; Tielbeek, Jeroen A W; Buhmann, Joachim M; Vos, Franciscus M

2013-10-01

Increasing incidence of Crohn's disease (CD) in the Western world has made its accurate diagnosis an important medical challenge. The current reference standard for diagnosis, colonoscopy, is time-consuming and invasive while magnetic resonance imaging (MRI) has emerged as the preferred noninvasive procedure over colonoscopy. Current MRI approaches assess rate of contrast enhancement and bowel wall thickness, and rely on extensive manual segmentation for accurate analysis. We propose a supervised learning method for the identification and localization of regions in abdominal magnetic resonance images that have been affected by CD. Low-level features like intensity and texture are used with shape asymmetry information to distinguish between diseased and normal regions. Particular emphasis is laid on a novel entropy-based shape asymmetry method and higher-order statistics like skewness and kurtosis. Multi-scale feature extraction renders the method robust. Experiments on real patient data show that our features achieve a high level of accuracy and perform better than two competing methods.

Whole-Lesion Apparent Diffusion Coefficient-Based Entropy-Related Parameters for Characterizing Cervical Cancers: Initial Findings.

PubMed

Guan, Yue; Li, Weifeng; Jiang, Zhuoran; Chen, Ying; Liu, Song; He, Jian; Zhou, Zhengyang; Ge, Yun

2016-12-01

This study aimed to develop whole-lesion apparent diffusion coefficient (ADC)-based entropy-related parameters of cervical cancer to preliminarily assess intratumoral heterogeneity of this lesion in comparison to adjacent normal cervical tissues. A total of 51 women (mean age, 49 years) with cervical cancers confirmed by biopsy underwent 3-T pelvic diffusion-weighted magnetic resonance imaging with b values of 0 and 800 s/mm 2 prospectively. ADC-based entropy-related parameters including first-order entropy and second-order entropies were derived from the whole tumor volume as well as adjacent normal cervical tissues. Intraclass correlation coefficient, Wilcoxon test with Bonferroni correction, Kruskal-Wallis test, and receiver operating characteristic curve were used for statistical analysis. All the parameters showed excellent interobserver agreement (all intraclass correlation coefficients  > 0.900). Entropy, entropy(H) 0 , entropy(H) 45 , entropy(H) 90 , entropy(H) 135 , and entropy(H) mean were significantly higher, whereas entropy(H) range and entropy(H) std were significantly lower in cervical cancers compared to adjacent normal cervical tissues (all P <.0001). Kruskal-Wallis test showed that there were no significant differences among the values of various second-order entropies including entropy(H) 0, entropy(H) 45 , entropy(H) 90 , entropy(H) 135 , and entropy(H) mean. All second-order entropies had larger area under the receiver operating characteristic curve than first-order entropy in differentiating cervical cancers from adjacent normal cervical tissues. Further, entropy(H) 45 , entropy(H) 90 , entropy(H) 135 , and entropy(H) mean had the same largest area under the receiver operating characteristic curve of 0.867. Whole-lesion ADC-based entropy-related parameters of cervical cancers were developed successfully, which showed initial potential in characterizing intratumoral heterogeneity in comparison to adjacent normal cervical tissues. Copyright © 2016 The Association of University Radiologists. Published by Elsevier Inc. All rights reserved.

Shape parameters explain data from spatial transformations: comment on Pearce et al. (2004) and Tommasi & Polli (2004).

PubMed

Cheng, Ken; Gallistel, C R

2005-04-01

In 2 recent studies on rats (J. M. Pearce, M. A. Good, P. M. Jones, & A. McGregor, see record 2004-12429-006) and chicks (L. Tommasi & C. Polli, see record 2004-15642-007), the animals were trained to search in 1 corner of a rectilinear space. When tested in transformed spaces of different shapes, the animals still showed systematic choices. Both articles rejected the global matching of shape in favor of local matching processes. The present authors show that although matching by shape congruence is unlikely, matching by the shape parameter of the 1st principal axis can explain all the data. Other shape parameters, such as symmetry axes, may do even better. Animals are likely to use some global matching to constrain and guide the use of local cues; such use keeps local matching processes from exploding in complexity.

Symmetry-Resolved Entanglement in Many-Body Systems.

PubMed

Goldstein, Moshe; Sela, Eran

2018-05-18

Similarly to the system Hamiltonian, a subsystem's reduced density matrix is composed of blocks characterized by symmetry quantum numbers (charge sectors). We present a geometric approach for extracting the contribution of individual charge sectors to the subsystem's entanglement measures within the replica trick method, via threading appropriate conjugate Aharonov-Bohm fluxes through a multisheet Riemann surface. Specializing to the case of 1+1D conformal field theory, we obtain general exact results for the entanglement entropies and spectrum, and apply them to a variety of systems, ranging from free and interacting fermions to spin and parafermion chains, and verify them numerically. We find that the total entanglement entropy, which scales as lnL, is composed of sqrt[lnL] contributions of individual subsystem charge sectors for interacting fermion chains, or even O(L^{0}) contributions when total spin conservation is also accounted for. We also explain how measurements of the contribution to the entanglement from separate charge sectors can be performed experimentally with existing techniques.

Configurational entropy as a tool to select a physical thick brane model

NASA Astrophysics Data System (ADS)

Chinaglia, M.; Cruz, W. T.; Correa, R. A. C.; de Paula, W.; Moraes, P. H. R. S.

2018-04-01

We analize braneworld scenarios via a configurational entropy (CE) formalism. Braneworld scenarios have drawn attention mainly due to the fact that they can explain the hierarchy problem and unify the fundamental forces through a symmetry breaking procedure. Those scenarios localize matter in a (3 + 1) hypersurface, the brane, which is inserted in a higher dimensional space, the bulk. Novel analytical braneworld models, in which the warp factor depends on a free parameter n, were recently released in the literature. In this article we will provide a way to constrain this parameter through the relation between information and dynamics of a system described by the CE. We demonstrate that in some cases the CE is an important tool in order to provide the most probable physical system among all the possibilities. In addition, we show that the highest CE is correlated to a tachyonic sector of the configuration, where the solutions for the corresponding model are dynamically unstable.

High-entropy Alloys with High Saturation Magnetization, Electrical Resistivity, and Malleability

PubMed Central

Zhang, Yong; Zuo, TingTing; Cheng, YongQiang; Liaw, Peter K.

2013-01-01

Soft magnetic materials (SMMs) find important applications in a number of areas. The diverse requirements for these applications are often demanding and challenging for the design and fabrication of SMMs. Here we report a new class of FeCoNi(AlSi)x (0 ≤ x ≤ 0.8 in molar ratio) SMMs based on high-entropy alloys (HEAs). It is found that with the compositional and structural changes, the optimal balance of magnetic, electrical, and mechanical properties is achieved at x = 0.2, for which the combination of saturation magnetization (1.15 T), coercivity (1,400 A/m), electrical resistivity (69.5 μΩ·cm), yield strength (342 MPa), and strain without fracture (50%) makes the alloy an excellent SMM. Ab initio calculations are used to explain the high magnetic saturation of the present HEAs and the effects of compositional structures on magnetic characteristics. The HEA-based SMMs point to new directions in both the application of HEAs and the search for novel SMMs. PMID:23492734

Momentum-resolved hidden-order gap reveals symmetry breaking and origin of entropy loss in URu2Si2

NASA Astrophysics Data System (ADS)

Bareille, C.; Boariu, F. L.; Schwab, H.; Lejay, P.; Reinert, F.; Santander-Syro, A. F.

2014-07-01

Spontaneous symmetry breaking in physical systems leads to salient phenomena at all scales, from the Higgs mechanism and the emergence of the mass of the elementary particles, to superconductivity and magnetism in solids. The hidden-order state arising below 17.5 K in URu2Si2 is a puzzling example of one of such phase transitions: its associated broken symmetry and gap structure have remained longstanding riddles. Here we directly image how, across the hidden-order transition, the electronic structure of URu2Si2 abruptly reconstructs. We observe an energy gap of 7 meV opening over 70% of a large diamond-like heavy-fermion Fermi surface, resulting in the formation of four small Fermi petals, and a change in the electronic periodicity from body-centred tetragonal to simple tetragonal. Our results explain the large entropy loss in the hidden-order phase, and the similarity between this phase and the high-pressure antiferromagnetic phase found in quantum-oscillation experiments.

A consideration of the nature of work and the consequences for the human-oriented design of production and products.

PubMed

Bubb, Heiner

2006-07-01

In this article, it is shown that human work can be understood as a process of creating order, and that order can be seen as a form of information. Since information can be considered as negative entropy, work is associated with energy consumption. Therefore, it is important to investigate the nature of human necessities in more detail in order to meet the desire for comfort through the efficient application of energy. Temporary increases of information cause accelerated increases in entropy. This explains the appearance of living organisms, and the historic development of increasingly complex technology. Through technical progress, repetitive human work is being replaced by automation, so that primarily creative work remains. Now the question arises of how much creative work a human can manage. In addition, one goal of automation should be the reduction of human errors, but in doing so, an optimal balance should be found between supporting the operator both during normal procedures and during unforeseen circumstances.

Symmetry-Resolved Entanglement in Many-Body Systems

NASA Astrophysics Data System (ADS)

Goldstein, Moshe; Sela, Eran

2018-05-01

Similarly to the system Hamiltonian, a subsystem's reduced density matrix is composed of blocks characterized by symmetry quantum numbers (charge sectors). We present a geometric approach for extracting the contribution of individual charge sectors to the subsystem's entanglement measures within the replica trick method, via threading appropriate conjugate Aharonov-Bohm fluxes through a multisheet Riemann surface. Specializing to the case of 1 +1 D conformal field theory, we obtain general exact results for the entanglement entropies and spectrum, and apply them to a variety of systems, ranging from free and interacting fermions to spin and parafermion chains, and verify them numerically. We find that the total entanglement entropy, which scales as ln L , is composed of √{ln L } contributions of individual subsystem charge sectors for interacting fermion chains, or even O (L0) contributions when total spin conservation is also accounted for. We also explain how measurements of the contribution to the entanglement from separate charge sectors can be performed experimentally with existing techniques.

Entanglement contour perspective for "strong area-law violation" in a disordered long-range hopping model

NASA Astrophysics Data System (ADS)

Roy, Nilanjan; Sharma, Auditya

2018-03-01

We numerically investigate the link between the delocalization-localization transition and entanglement in a disordered long-range hopping model of spinless fermions by studying various static and dynamical quantities. This includes the inverse participation ratio, level statistics, entanglement entropy, and number fluctuations in the subsystem along with quench and wave-packet dynamics. Finite systems show delocalized, quasilocalized, and localized phases. The delocalized phase shows strong area-law violation, whereas the (quasi)localized phase adheres to (for large subsystems) the strict area law. The idea of "entanglement contour" nicely explains the violation of area law and its relationship with "fluctuation contour" reveals a signature at the transition point. The relationship between entanglement entropy and number fluctuations in the subsystem also carries signatures for the transition in the model. Results from the Aubry-Andre-Harper model are compared in this context. The propagation of charge and entanglement are contrasted by studying quench and wave-packet dynamics at the single-particle and many-particle levels.

Decoherence estimation in quantum theory and beyond

NASA Astrophysics Data System (ADS)

Pfister, Corsin

The quantum physics literature provides many different characterizations of decoherence. Most of them have in common that they describe decoherence as a kind of influence on a quantum system upon interacting with an another system. In the spirit of quantum information theory, we adapt a particular viewpoint on decoherence which describes it as the loss of information into a system that is possibly controlled by an adversary. We use a quantitative framework for decoherence that builds on operational characterizations of the min-entropy that have been developed in the quantum information literature. It characterizes decoherence as an influence on quantum channels that reduces their suitability for a variety of quantifiable tasks such as the distribution of secret cryptographic keys of a certain length or the distribution of a certain number of maximally entangled qubit pairs. This allows for a quantitative and operational characterization of decoherence via operational characterizations of the min-entropy. In this thesis, we present a series of results about the estimation of the minentropy, subdivided into three parts. The first part concerns the estimation of a quantum adversary's uncertainty about classical information--expressed by the smooth min-entropy--as it is done in protocols for quantum key distribution (QKD). We analyze this form of min-entropy estimation in detail and find that some of the more recently suggested QKD protocols have previously unnoticed security loopholes. We show that the specifics of the sifting subroutine of a QKD protocol are crucial for security by pointing out mistakes in the security analysis in the literature and by presenting eavesdropping attacks on those problematic protocols. We provide solutions to the identified problems and present a formalized analysis of the min-entropy estimate that incorporates the sifting stage of QKD protocols. In the second part, we extend ideas from QKD to a protocol that allows to estimate an adversary's uncertainty about quantum information, expressed by the fully quantum smooth min-entropy. Roughly speaking, we show that a protocol that resembles the parallel execution of two QKD protocols can be used to lower bound the min-entropy of some unmeasured qubits. We explain how this result may influence the ongoing search for protocols for entanglement distribution. The third part is dedicated to the development of a framework that allows the estimation of decoherence even in experiments that cannot be correctly described by quantum theory. Inspired by an equivalent formulation of the min-entropy that relates it to the fidelity with a maximally entangled state, we define a decoherence quantity for a very general class of probabilistic theories that reduces to the min-entropy in the special case of quantum theory. This entails a definition of maximal entanglement for generalized probabilistic theories. Using techniques from semidefinite and linear programming, we show how bounds on this quantity can be estimated through Bell-type experiments. This allows to test models for decoherence that cannot be described by quantum theory. As an example application, we devise an experimental test of a model for gravitational decoherence that has been suggested in the literature.

Concepts in receptor optimization: targeting the RGD peptide.

PubMed

Chen, Wei; Chang, Chia-en; Gilson, Michael K

2006-04-12

Synthetic receptors have a wide range of potential applications, but it has been difficult to design low molecular weight receptors that bind ligands with high, "proteinlike" affinities. This study uses novel computational methods to understand why it is hard to design a high-affinity receptor and to explore the limits of affinity, with the bioactive peptide RGD as a model ligand. The M2 modeling method is found to yield excellent agreement with experiment for a known RGD receptor and then is used to analyze a series of receptors generated in silico with a de novo design algorithm. Forces driving binding are found to be systematically opposed by proportionate repulsions due to desolvation and entropy. In particular, strong correlations are found between Coulombic attractions and the electrostatic desolvation penalty and between the mean energy change on binding and the cost in configurational entropy. These correlations help explain why it is hard to achieve high affinity. The change in surface area upon binding is found to correlate poorly with affinity within this series. Measures of receptor efficiency are formulated that summarize how effectively a receptor uses surface area, total energy, and Coulombic energy to achieve affinity. Analysis of the computed efficiencies suggests that a low molecular weight receptor can achieve proteinlike affinity. It is also found that macrocyclization of a receptor can, unexpectedly, increase the entropy cost of binding because the macrocyclic structure further restricts ligand motion.

Adsorption of Organic Molecules to van der Waals Materials: Comparison of Fluorographene and Fluorographite with Graphene and Graphite

PubMed Central

2017-01-01

Understanding strength and nature of noncovalent binding to surfaces imposes significant challenge both for computations and experiments. We explored the adsorption of five small nonpolar organic molecules (acetone, acetonitrile, dichloromethane, ethanol, ethyl acetate) to fluorographene and fluorographite using inverse gas chromatography and theoretical calculations, providing new insights into the strength and nature of adsorption of small organic molecules on these surfaces. The measured adsorption enthalpies on fluorographite range from −7 to −13 kcal/mol and are by 1–2 kcal/mol lower than those measured on graphene/graphite, which indicates higher affinity of organic adsorbates to fluorographene than to graphene. The dispersion-corrected functionals performed well, and the nonlocal vdW DFT functionals (particularly optB86b-vdW) achieved the best agreement with the experimental data. Computations show that the adsorption enthalpies are controlled by the interaction energy, which is dominated by London dispersion forces (∼70%). The calculations also show that bonding to structural features, like edges and steps, as well as defects does not significantly increase the adsorption enthalpies, which explains a low sensitivity of measured adsorption enthalpies to coverage. The adopted Langmuir model for fitting experimental data enabled determination of adsorption entropies. The adsorption on the fluorographene/fluorographite surface resulted in an entropy loss equal to approximately 40% of the gas phase entropy. PMID:28145699

Time distribution of adsorption entropy of gases on heterogeneous surfaces by reversed-flow gas chromatography.

PubMed

Katsanos, Nicholas A; Kapolos, John; Gavril, Dimitrios; Bakaoukas, Nicholas; Loukopoulos, Vassilios; Koliadima, Athanasia; Karaiskakis, George

2006-09-15

The reversed-flow gas chromatography (RF-GC) technique has been applied to measure the adsorption entropy over time, when gaseous pentane is adsorbed on the surface of two solids (gamma-alumina and a silica supported rhodium catalyst) at 393.15 and 413.15K, respectively. Utilizing experimental chromatographic data, this novel methodology also permits the simultaneous measurement of the local adsorption energy, epsilon, local equilibrium adsorbed concentration, c(s)(*), and local adsorption isotherm, theta(p, T, epsilon) in a time resolved way. In contrast with other inverse gas chromatographic methods, which determine the standard entropy at zero surface coverage, the present method operates over a wide range of surface coverage taking into account not only the adsorbate-adsorbent interaction, but also the adsorbate-adsorbate interaction. One of the most interesting observations of the present work is the fact that the interaction of n-pentane is spontaneous on the Rh/SiO(2) catalyst for a very short time interval compared to that on gamma-Al(2)O(3). This can explain the different kinetic behavior of each particular gas-solid system, and it can be attributed to the fact that large amounts of n-C(5)H(12) are present on the active sites of the Rh/SiO(2) catalyst compared to those on gamma-Al(2)O(3), as the local equilibrium adsorbed concentration values, c(s)(*), indicate.

Isotopic Ratio, Isotonic Ratio, Isobaric Ratio and Shannon Information Uncertainty

NASA Astrophysics Data System (ADS)

Ma, Chun-Wang; Wei, Hui-Ling

2014-11-01

The isoscaling and the isobaric yield ratio difference (IBD) probes, both of which are constructed by yield ratio of fragment, provide cancelation of parameters. The information entropy theory is introduced to explain the physical meaning of the isoscaling and IBD probes. The similarity between the isoscaling and IBD results is found, i.e., the information uncertainty determined by the IBD method equals to β - α determined by the isoscaling (α (β) is the parameter fitted from the isotopic (isotonic) yield ratio).

Computer Science and Statistics. Proceedings of the Symposium on the Interface (18th) Held on March 19-21, 1986 in Fort Collins, Colorado.

DTIC Science & Technology

1987-08-26

example, expert systems research would benefit examples are the Acute Renal Failure [15] system, the if it could attract statisticians to assist in...research projects including the Acute Renal Failure [15] system, the 6. EXPLAINING COMPLEX REASONING INTERNIST-] [22] system for diagnosis within the...the MEDAS and Acute Renal Failure systems. task at any point in reasoning about a case is constrained to Entropy-discriminate makes use of a measure

Thermodynamical properties of liquid lanthanides-A variational approach

NASA Astrophysics Data System (ADS)

Patel, H. P.; Thakor, P. B.; Sonvane, Y. A.

2015-06-01

Thermodynamical properties like Entropy (S), Internal energy (E) and Helmholtz free energy (F) of liquid lanthanides using a variation principle based on the Gibbs-Bogoliubuv (GB) inequality with Percus Yevick hard sphere reference system have been reported in the present investigation. To describe electron-ion interaction we have used our newly constructed parameter free model potential along with Sarkar et al. local field correction function. Lastly, we conclude that our newly constructed model potential is capable to explain the thermodynamical properties of liquid lanthanides.

Thermodynamical properties of liquid lanthanides-A variational approach

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

Patel, H. P.; Department of Applied Physics, S. V. National Institute of Technology, Surat 395 007, Gujarat; Thakor, P. B., E-mail: pbthakor@rediffmail.com

2015-06-24

Thermodynamical properties like Entropy (S), Internal energy (E) and Helmholtz free energy (F) of liquid lanthanides using a variation principle based on the Gibbs-Bogoliubuv (GB) inequality with Percus Yevick hard sphere reference system have been reported in the present investigation. To describe electron-ion interaction we have used our newly constructed parameter free model potential along with Sarkar et al. local field correction function. Lastly, we conclude that our newly constructed model potential is capable to explain the thermodynamical properties of liquid lanthanides.

On quantum Rényi entropies: A new generalization and some properties

NASA Astrophysics Data System (ADS)

Müller-Lennert, Martin; Dupuis, Frédéric; Szehr, Oleg; Fehr, Serge; Tomamichel, Marco

2013-12-01

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 information theory and beyond. Various generalizations of Rényi entropies to the quantum setting have been proposed, most prominently Petz's quasi-entropies and Renner's conditional min-, max-, and collision entropy. However, these quantum extensions are incompatible and thus unsatisfactory. We propose a new quantum generalization of the family of Rényi entropies that contains the von Neumann entropy, min-entropy, collision entropy, and the max-entropy as special cases, thus encompassing most quantum entropies in use today. We show several natural properties for this definition, including data-processing inequalities, a duality relation, and an entropic uncertainty relation.

Congruence between distribution modelling and phylogeographical analyses reveals Quaternary survival of a toadflax species (Linaria elegans) in oceanic climate areas of a mountain ring range.

PubMed

Fernández-Mazuecos, Mario; Vargas, Pablo

2013-06-01

· The role of Quaternary climatic shifts in shaping the distribution of Linaria elegans, an Iberian annual plant, was investigated using species distribution modelling and molecular phylogeographical analyses. Three hypotheses are proposed to explain the Quaternary history of its mountain ring range. · The distribution of L. elegans was modelled using the maximum entropy method and projected to the last interglacial and to the last glacial maximum (LGM) using two different paleoclimatic models: the Community Climate System Model (CCSM) and the Model for Interdisciplinary Research on Climate (MIROC). Two nuclear and three plastid DNA regions were sequenced for 24 populations (119 individuals sampled). Bayesian phylogenetic, phylogeographical, dating and coalescent-based population genetic analyses were conducted. · Molecular analyses indicated the existence of northern and southern glacial refugia and supported two routes of post-glacial recolonization. These results were consistent with the LGM distribution as inferred under the CCSM paleoclimatic model (but not under the MIROC model). Isolation between two major refugia was dated back to the Riss or Mindel glaciations, > 100 kyr before present (bp). · The Atlantic distribution of inferred refugia suggests that the oceanic (buffered)-continental (harsh) gradient may have played a key and previously unrecognized role in determining Quaternary distribution shifts of Mediterranean plants. © 2013 The Authors. New Phytologist © 2013 New Phytologist Trust.

A connection between mix and adiabat in ICF capsules

NASA Astrophysics Data System (ADS)

Cheng, Baolian; Kwan, Thomas; Wang, Yi-Ming; Yi, Sunghuan (Austin); Batha, Steven

2016-10-01

We study the relationship between instability induced mix, preheat and the adiabat of the deuterium-tritium (DT) fuel in fusion capsule experiments. Our studies show that hydrodynamic instability not only directly affects the implosion, hot spot shape and mix, but also affects the thermodynamics of the capsule, such as, the adiabat of the DT fuel, and, in turn, affects the energy partition between the pusher shell (cold DT) and the hot spot. It was found that the adiabat of the DT fuel is sensitive to the amount of mix caused by Richtmyer-Meshkov (RM) and Rayleigh-Taylor (RT) instabilities at the material interfaces due to its exponential dependence on the fuel entropy. An upper limit of mix allowed maintaining a low adiabat of DT fuel is derived. Additionally we demonstrated that the use of a high adiabat for the DT fuel in theoretical analysis and with the aid of 1D code simulations could explain some aspects of the 3D effects and mix in the capsule experiments. Furthermore, from the observed neutron images and our physics model, we could infer the adiabat of the DT fuel in the capsule and determine the possible amount of mix in the hot spot (LA-UR-16-24880). This work was conducted under the auspices of the U.S. Department of Energy by the Los Alamos National Laboratory under Contract No. W-7405-ENG-36.

Upper entropy axioms and lower entropy axioms

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

Guo, Jin-Li, E-mail: phd5816@163.com; Suo, Qi

2015-04-15

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,more » different forms of information measures, such as Shannon entropy, Daroczy entropy, Tsallis entropy and other entropies, can be unified under the same axiomatics.« less

EEG entropy measures in anesthesia

PubMed Central

Liang, Zhenhu; Wang, Yinghua; Sun, Xue; Li, Duan; Voss, Logan J.; Sleigh, Jamie W.; Hagihira, Satoshi; Li, Xiaoli

2015-01-01

Highlights: ► Twelve entropy indices were systematically compared in monitoring depth of anesthesia and detecting burst suppression.► Renyi permutation entropy performed best in tracking EEG changes associated with different anesthesia states.► Approximate Entropy and Sample Entropy performed best in detecting burst suppression. Objective: Entropy algorithms have been widely used in analyzing EEG signals during anesthesia. However, a systematic comparison of these entropy algorithms in assessing anesthesia drugs' effect is lacking. In this study, we compare the capability of 12 entropy indices for monitoring depth of anesthesia (DoA) and detecting the burst suppression pattern (BSP), in anesthesia induced by GABAergic agents. Methods: Twelve indices were investigated, namely Response Entropy (RE) and State entropy (SE), three wavelet entropy (WE) measures [Shannon WE (SWE), Tsallis WE (TWE), and Renyi WE (RWE)], Hilbert-Huang spectral entropy (HHSE), approximate entropy (ApEn), sample entropy (SampEn), Fuzzy entropy, and three permutation entropy (PE) measures [Shannon PE (SPE), Tsallis PE (TPE) and Renyi PE (RPE)]. Two EEG data sets from sevoflurane-induced and isoflurane-induced anesthesia respectively were selected to assess the capability of each entropy index in DoA monitoring and BSP detection. To validate the effectiveness of these entropy algorithms, pharmacokinetic/pharmacodynamic (PK/PD) modeling and prediction probability (Pk) analysis were applied. The multifractal detrended fluctuation analysis (MDFA) as a non-entropy measure was compared. Results: All the entropy and MDFA indices could track the changes in EEG pattern during different anesthesia states. Three PE measures outperformed the other entropy indices, with less baseline variability, higher coefficient of determination (R2) and prediction probability, and RPE performed best; ApEn and SampEn discriminated BSP best. Additionally, these entropy measures showed an advantage in computation 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. Investigating the advantages and disadvantages of these entropy indices could help improve current clinical indices for monitoring DoA. PMID:25741277

Shape, Illumination, and Reflectance from Shading

DTIC Science & Technology

2013-05-29

the global entropy of log-reflectance. 3) An “absolute” prior on reflectance which prefers to paint the scene with some colors ( white , gray, green...in log- RGB from pixel i to pixel j, and c (· ;α, σ) is the negative log-likelihood of a discrete univariate Gaussian scale mixture (GSM), parametrized...gs(R) = ∑ i ∑ j∈N(i) C (Ri −Rj ;αR, σR,ΣR) (6) Where Ri−Rj is now a 3-vector of the log- RGB differ- ences, α are mixing coefficients, σ are the

A Unified Methodology for Aerospace Systems Integration Based on Entropy and the Second Law of Thermodynamics: Aerodynamics Assessment

DTIC Science & Technology

2004-08-01

Based on Exergy Methods”, Journal of Aircraft Vol.40, No.1, January-February 2003. [2] Bejan, A., “Constructal Theory: Tree-Shaped Flows and Energy... Journal of Aircraft Vol. 36, No. 2, March- April 1999. [15] Bourdin, P., Numerical Prediction of Wing-Tip Effects On Lift-Induced Drag. International Council of the Aeronautical Sciences, 2002. ...methods were used to calculate the induced drag. The objective of this project is to relate work-potential losses ( exergy destruction) to the

Design of a dynamic sonar emitter inspired by hipposiderid bats.

PubMed

Yang, Luhui; Yu, Allison; Mueller, Rolf

2018-06-19

The ultrasonic emission in the biosonar systems of bats such as the Old World leaf-nosed bats (family Hipposideridae) and the related horseshoe bats (family Rhinolophidae) is characterized by a unique dynamics where baffle shapes ("noseleaves") deform while diffracting the outgoing wave packets. As of now, nothing comparable to this dynamics has been used in any related engineering application (e.g., sonar or radar). Prior work with simple concave baffle shapes has demonstrated an impact of the dynamics on the emission characteristics, but it has remained unclear if this was simply due to the change in aperture size or also influenced by geometrical shape detail. Hence, it has also remained unclear if the time-variant effects reported so far could be further enhanced through different static and dynamic geometries. To address this issue, we have created a dynamic emission baffle with biomimetic shape detail modeled after Pratt's roundleaf bats (\\textit{Hipposideros pratti}). The impact of this shape's dynamic deformation on the time-variant emission characteristics was evaluated by virtue of the gradient magnitude and the entropy in the gradient orientation. The results have shown that the dynamics resulted in much larger gradients in a signal representation that changed jointly over direction and time. © 2018 IOP Publishing Ltd.

Shape-designed frustration by local polymorphism in a near-equilibrium colloidal glass.

PubMed

Zhao, Kun; Mason, Thomas G

2015-09-29

We show that hard, convex, lithographic, prismatic kite platelets, each having three 72° vertices and one 144° vertex, preferentially form a disordered and arrested 2D glass when concentrated quasi-statically in a monolayer while experiencing thermal Brownian fluctuations. By contrast with 2D systems of other hard convex shapes, such as squares, rhombs, and pentagons, which readily form crystals at high densities, 72° kites retain a liquid-like disordered structure that becomes frozen-in as their long-time translational and rotational diffusion become highly bounded, yielding a 2D colloidal glass. This robust glass-forming propensity arises from competition between highly diverse few-particle local polymorphic configurations (LPCs) that have incommensurate features and symmetries. Thus, entropy maximization is consistent with the preservation of highly diverse LPCs en route to the arrested glass.

Refined two-index entropy and multiscale analysis for complex system

NASA Astrophysics Data System (ADS)

Bian, Songhan; Shang, Pengjian

2016-10-01

As a fundamental concept in describing complex system, entropy measure has been proposed to various forms, like Boltzmann-Gibbs (BG) entropy, one-index entropy, two-index entropy, sample entropy, permutation entropy etc. This paper proposes a new two-index entropy Sq,δ and we find the new two-index entropy is applicable to measure the complexity of wide range of systems in the terms of randomness and fluctuation range. For more complex system, the value of two-index entropy is smaller and the correlation between parameter δ and entropy Sq,δ is weaker. By combining the refined two-index entropy Sq,δ with scaling exponent h(δ), this paper analyzes the complexities of simulation series and classifies several financial markets in various regions of the world effectively.

From information theory to quantitative description of steric effects.

PubMed

Alipour, Mojtaba; Safari, Zahra

2016-07-21

Immense efforts have been made in the literature to apply the information theory descriptors for investigating the electronic structure theory of various systems. In the present study, the information theoretic quantities, such as Fisher information, Shannon entropy, Onicescu information energy, and Ghosh-Berkowitz-Parr entropy, have been used to present a quantitative description for one of the most widely used concepts in chemistry, namely the steric effects. Taking the experimental steric scales for the different compounds as benchmark sets, there are reasonable linear relationships between the experimental scales of the steric effects and theoretical values of steric energies calculated from information theory functionals. Perusing the results obtained from the information theoretic quantities with the two representations of electron density and shape function, the Shannon entropy has the best performance for the purpose. On the one hand, the usefulness of considering the contributions of functional groups steric energies and geometries, and on the other hand, dissecting the effects of both global and local information measures simultaneously have also been explored. Furthermore, the utility of the information functionals for the description of steric effects in several chemical transformations, such as electrophilic and nucleophilic reactions and host-guest chemistry, has been analyzed. The functionals of information theory correlate remarkably with the stability of systems and experimental scales. Overall, these findings show that the information theoretic quantities can be introduced as quantitative measures of steric effects and provide further evidences of the quality of information theory toward helping theoreticians and experimentalists to interpret different problems in real systems.

Effect of slip-area scaling on the earthquake frequency-magnitude relationship

NASA Astrophysics Data System (ADS)

Senatorski, Piotr

2017-06-01

The earthquake frequency-magnitude relationship is considered in the maximum entropy principle (MEP) perspective. The MEP suggests sampling with constraints as a simple stochastic model of seismicity. The model is based on the von Neumann's acceptance-rejection method, with b-value as the parameter that breaks symmetry between small and large earthquakes. The Gutenberg-Richter law's b-value forms a link between earthquake statistics and physics. Dependence between b-value and the rupture area vs. slip scaling exponent is derived. The relationship enables us to explain observed ranges of b-values for different types of earthquakes. Specifically, different b-value ranges for tectonic and induced, hydraulic fracturing seismicity is explained in terms of their different triggering mechanisms: by the applied stress increase and fault strength reduction, respectively.

Extrathermodynamic interpretation of retention equilibria in reversed-phase liquid chromatography using octadecylsilyl-silica gels bonded to C1 and C18 ligands of different densities

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

Miyabe, Kanji; Guiochon, Georges A

2005-09-01

The retention behavior on silica gels bonded to C{sub 18} and C{sub 1} alkyl ligands of different densities was studied in reversed-phase liquid chromatography (RPLC) from the viewpoints of two extrathermodynamic relationships, enthalpy-entropy compensation (EEC) and linear free energy relationship (LFER). First, the four tests proposed by Krug et al. were applied to the values of the retention equilibrium constants (K) normalized by the alkyl ligand density. These tests showed that a real EEC of the retention equilibrium originates from substantial physico-chemical effects. Second, we derived a new model based on the EEC to explain the LFER between the retentionmore » equilibria under different RPLC conditions. The new model indicates how the slope and intercept of the LFER are correlated to the compensation temperatures derived from the EEC analyses and to several parameters characterizing the molecular contributions to the changes in enthalpy and entropy. Finally, we calculated K under various RPLC conditions from only one original experimental K datum by assuming that the contributions of the C{sub 18} and C{sub 1} ligands to K are additive and that their contributions are proportional to the density of each ligand. The estimated K values are in agreement with the corresponding experimental data, demonstrating that our model is useful to explain the variations of K due to changes in the RPLC conditions.« less

Microcanonical entropy for classical systems

NASA Astrophysics Data System (ADS)

Franzosi, Roberto

2018-03-01

The entropy definition in the microcanonical ensemble is revisited. We propose a novel definition for the microcanonical entropy that resolve the debate on the correct definition of the microcanonical entropy. In particular we show that this entropy definition fixes the problem inherent the exact extensivity of the caloric equation. Furthermore, this entropy reproduces results which are in agreement with the ones predicted with standard Boltzmann entropy when applied to macroscopic systems. On the contrary, the predictions obtained with the standard Boltzmann entropy and with the entropy we propose, are different for small system sizes. Thus, we conclude that the Boltzmann entropy provides a correct description for macroscopic systems whereas extremely small systems should be better described with the entropy that we propose here.

On S-mixing entropy of quantum channels

NASA Astrophysics Data System (ADS)

Mukhamedov, Farrukh; Watanabe, Noboru

2018-06-01

In this paper, an S-mixing entropy of quantum channels is introduced as a generalization of Ohya's S-mixing entropy. We investigate several properties of the introduced entropy. Moreover, certain relations between the S-mixing entropy and the existing map and output entropies of quantum channels are investigated as well. These relations allowed us to find certain connections between separable states and the introduced entropy. Hence, there is a sufficient condition to detect entangled states. Moreover, several properties of the introduced entropy are investigated. Besides, entropies of qubit and phase-damping channels are calculated.

Universality of quantum information in chaotic CFTs

NASA Astrophysics Data System (ADS)

Lashkari, Nima; Dymarsky, Anatoly; Liu, Hong

2018-03-01

We study the Eigenstate Thermalization Hypothesis (ETH) in chaotic conformal field theories (CFTs) of arbitrary dimensions. Assuming local ETH, we compute the reduced density matrix of a ball-shaped subsystem of finite size in the infinite volume limit when the full system is an energy eigenstate. This reduced density matrix is close in trace distance to a density matrix, to which we refer as the ETH density matrix, that is independent of all the details of an eigenstate except its energy and charges under global symmetries. In two dimensions, the ETH density matrix is universal for all theories with the same value of central charge. We argue that the ETH density matrix is close in trace distance to the reduced density matrix of the (micro)canonical ensemble. We support the argument in higher dimensions by comparing the Von Neumann entropy of the ETH density matrix with the entropy of a black hole in holographic systems in the low temperature limit. Finally, we generalize our analysis to the coherent states with energy density that varies slowly in space, and show that locally such states are well described by the ETH density matrix.

Predictive modeling and mapping of Malayan Sun Bear (Helarctos malayanus) distribution using maximum entropy.

PubMed

Nazeri, Mona; Jusoff, Kamaruzaman; Madani, Nima; Mahmud, Ahmad Rodzi; Bahman, Abdul Rani; Kumar, Lalit

2012-01-01

One of the available tools for mapping the geographical distribution and potential suitable habitats is species distribution models. These techniques are very helpful for finding poorly known distributions of species in poorly sampled areas, such as the tropics. Maximum Entropy (MaxEnt) is a recently developed modeling method that can be successfully calibrated using a relatively small number of records. In this research, the MaxEnt model was applied to describe the distribution and identify the key factors shaping the potential distribution of the vulnerable Malayan Sun Bear (Helarctos malayanus) in one of the main remaining habitats in Peninsular Malaysia. MaxEnt results showed that even though Malaysian sun bear habitat is tied with tropical evergreen forests, it lives in a marginal threshold of bio-climatic variables. On the other hand, current protected area networks within Peninsular Malaysia do not cover most of the sun bears potential suitable habitats. Assuming that the predicted suitability map covers sun bears actual distribution, future climate change, forest degradation and illegal hunting could potentially severely affect the sun bear's population.

Predictive Modeling and Mapping of Malayan Sun Bear (Helarctos malayanus) Distribution Using Maximum Entropy

PubMed Central

Nazeri, Mona; Jusoff, Kamaruzaman; Madani, Nima; Mahmud, Ahmad Rodzi; Bahman, Abdul Rani; Kumar, Lalit

2012-01-01

One of the available tools for mapping the geographical distribution and potential suitable habitats is species distribution models. These techniques are very helpful for finding poorly known distributions of species in poorly sampled areas, such as the tropics. Maximum Entropy (MaxEnt) is a recently developed modeling method that can be successfully calibrated using a relatively small number of records. In this research, the MaxEnt model was applied to describe the distribution and identify the key factors shaping the potential distribution of the vulnerable Malayan Sun Bear (Helarctos malayanus) in one of the main remaining habitats in Peninsular Malaysia. MaxEnt results showed that even though Malaysian sun bear habitat is tied with tropical evergreen forests, it lives in a marginal threshold of bio-climatic variables. On the other hand, current protected area networks within Peninsular Malaysia do not cover most of the sun bears potential suitable habitats. Assuming that the predicted suitability map covers sun bears actual distribution, future climate change, forest degradation and illegal hunting could potentially severely affect the sun bear’s population. PMID:23110182

Two-cylinder entanglement entropy under a twist

NASA Astrophysics Data System (ADS)

Chen, Xiao; Witczak-Krempa, William; Faulkner, Thomas; Fradkin, Eduardo

2017-04-01

We study the von Neumann and Rényi entanglement entropy (EE) of the scale-invariant theories defined on the tori in 2  +  1 and 3  +  1 spacetime dimensions. We focus on the spatial bi-partitions of the torus into two cylinders, and allow for twisted boundary conditions along the non-contractible cycles. Various analytical and numerical results are obtained for the universal EE of the relativistic boson and Dirac fermion conformal field theories (CFTs), the fermionic quadratic band touching and the boson with z  =  2 Lifshitz scaling. The shape dependence of the EE clearly distinguishes these theories, although intriguing similarities are found in certain limits. We also study the evolution of the EE when a mass is introduced to detune the system from its scale-invariant point, by employing a renormalized EE that goes beyond a naive subtraction of the area law. In certain cases we find the non-monotonic behavior of the torus EE under RG flow, which distinguishes it from the EE of a disk.

Prediction of RNA secondary structures: from theory to models and real molecules

NASA Astrophysics Data System (ADS)

Schuster, Peter

2006-05-01

RNA secondary structures are derived from RNA sequences, which are strings built form the natural four letter nucleotide alphabet, {AUGC}. These coarse-grained structures, in turn, are tantamount to constrained strings over a three letter alphabet. Hence, the secondary structures are discrete objects and the number of sequences always exceeds the number of structures. The sequences built from two letter alphabets form perfect structures when the nucleotides can form a base pair, as is the case with {GC} or {AU}, but the relation between the sequences and structures differs strongly from the four letter alphabet. A comprehensive theory of RNA structure is presented, which is based on the concepts of sequence space and shape space, being a space of structures. It sets the stage for modelling processes in ensembles of RNA molecules like evolutionary optimization or kinetic folding as dynamical phenomena guided by mappings between the two spaces. The number of minimum free energy (mfe) structures is always smaller than the number of sequences, even for two letter alphabets. Folding of RNA molecules into mfe energy structures constitutes a non-invertible mapping from sequence space onto shape space. The preimage of a structure in sequence space is defined as its neutral network. Similarly the set of suboptimal structures is the preimage of a sequence in shape space. This set represents the conformation space of a given sequence. The evolutionary optimization of structures in populations is a process taking place in sequence space, whereas kinetic folding occurs in molecular ensembles that optimize free energy in conformation space. Efficient folding algorithms based on dynamic programming are available for the prediction of secondary structures for given sequences. The inverse problem, the computation of sequences for predefined structures, is an important tool for the design of RNA molecules with tailored properties. Simultaneous folding or cofolding of two or more RNA molecules can be modelled readily at the secondary structure level and allows prediction of the most stable (mfe) conformations of complexes together with suboptimal states. Cofolding algorithms are important tools for efficient and highly specific primer design in the polymerase chain reaction (PCR) and help to explain the mechanisms of small interference RNA (si-RNA) molecules in gene regulation. The evolutionary optimization of RNA structures is illustrated by the search for a target structure and mimics aptamer selection in evolutionary biotechnology. It occurs typically in steps consisting of short adaptive phases interrupted by long epochs of little or no obvious progress in optimization. During these quasi-stationary epochs the populations are essentially confined to neutral networks where they search for sequences that allow a continuation of the adaptive process. Modelling RNA evolution as a simultaneous process in sequence and shape space provides answers to questions of the optimal population size and mutation rates. Kinetic folding is a stochastic process in conformation space. Exact solutions are derived by direct simulation in the form of trajectory sampling or by solving the master equation. The exact solutions can be approximated straightforwardly by Arrhenius kinetics on barrier trees, which represent simplified versions of conformational energy landscapes. The existence of at least one sequence forming any arbitrarily chosen pair of structures is granted by the intersection theorem. Folding kinetics is the key to understanding and designing multistable RNA molecules or RNA switches. These RNAs form two or more long lived conformations, and conformational changes occur either spontaneously or are induced through binding of small molecules or other biopolymers. RNA switches are found in nature where they act as elements in genetic and metabolic regulation. The reliability of RNA secondary structure prediction is limited by the accuracy with which the empirical parameters can be determined and by principal deficiencies, for example by the lack of energy contributions resulting from tertiary interactions. In addition, native structures may be determined by folding kinetics rather than by thermodynamics. We address the first problem by considering base pair probabilities or base pairing entropies, which are derived from the partition function of conformations. A high base pair probability corresponding to a low pairing entropy is taken as an indicator of a high reliability of prediction. Pseudoknots are discussed as an example of a tertiary interaction that is highly important for RNA function. Moreover, pseudoknot formation is readily incorporated into structure prediction algorithms. Some examples of experimental data on RNA secondary structures that are readily explained using the landscape concept are presented. They deal with (i) properties of RNA molecules with random sequences, (ii) RNA molecules from restricted alphabets, (iii) existence of neutral networks, (iv) shape space covering, (v) riboswitches and (vi) evolution of non-coding RNAs as an example of evolution restricted to neutral networks.

Entropy and equilibrium via games of complexity

NASA Astrophysics Data System (ADS)

Topsøe, Flemming

2004-09-01

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

Quantile based Tsallis entropy in residual lifetime

NASA Astrophysics Data System (ADS)

Khammar, A. H.; Jahanshahi, S. M. A.

2018-02-01

Tsallis entropy is a generalization of type α of the Shannon entropy, that is a nonadditive entropy unlike the Shannon entropy. Shannon entropy may be negative for some distributions, but Tsallis entropy can always be made nonnegative by choosing appropriate value of α. In this paper, we derive the quantile form of this nonadditive's entropy function in the residual lifetime, namely the residual quantile Tsallis entropy (RQTE) and get the bounds for it, depending on the Renyi's residual quantile entropy. Also, we obtain relationship between RQTE and concept of proportional hazards model in the quantile setup. Based on the new measure, we propose a stochastic order and aging classes, and study its properties. Finally, we prove characterizations theorems for some well known lifetime distributions. It is shown that RQTE uniquely determines the parent distribution unlike the residual Tsallis entropy.

On axial temperature gradients due to large pressure drops in dense fluid chromatography.

PubMed

Colgate, Sam O; Berger, Terry A

2015-03-13

The effect of energy degradation (Degradation is the creation of net entropy resulting from irreversibility.) accompanying pressure drops across chromatographic columns is examined with regard to explaining axial temperature gradients in both high performance liquid chromatography (HPLC) and supercritical fluid chromatography (SFC). The observed effects of warming and cooling can be explained equally well in the language of thermodynamics or fluid dynamics. The necessary equivalence of these treatments is reviewed here to show the legitimacy of using whichever one supports the simpler determination of features of interest. The determination of temperature profiles in columns by direct application of the laws of thermodynamics is somewhat simpler than applying them indirectly by solving the Navier-Stokes (NS) equations. Both disciplines show that the preferred strategy for minimizing the reduction in peak quality caused by temperature gradients is to operate columns as nearly adiabatically as possible (i.e. as Joule-Thomson expansions). This useful fact, however, is not widely familiar or appreciated in the chromatography community due to some misunderstanding of the meaning of certain terms and expressions used in these disciplines. In fluid dynamics, the terms "resistive heating" or "frictional heating" have been widely used as synonyms for the dissipation function, Φ, in the NS energy equation. These terms have been widely used by chromatographers as well, but often misinterpreted as due to friction between the mobile phase and the column packing, when in fact Φ describes the increase in entropy of the system (dissipation, ∫TdSuniv>0) due to the irreversible decompression of the mobile phase. Two distinctly different contributions to the irreversibility are identified; (1) ΔSext, viscous dissipation of work done by the external surroundings driving the flow (the pump) contributing to its warming, and (2) ΔSint, entropy change accompanying decompression of fluid in the column, contributing either to warming or cooling depending on local density and temperature. The molecular basis for this variation is described. Sample calculations of dissipation and temperature profiles of several model fluids including carbon dioxide-methanol mixtures are presented, based on the NIST REFPROP program including select equations of state and property calculation software. Copyright © 2015 Elsevier B.V. All rights reserved.

Comparison of liquid-state anomalies in Stillinger-Weber models of water, silicon, and germanium

NASA Astrophysics Data System (ADS)

Dhabal, Debdas; Chakravarty, Charusita; Molinero, Valeria; Kashyap, Hemant K.

2016-12-01

We use molecular dynamics simulations to compare and contrast the liquid-state anomalies in the Stillinger-Weber models of monatomic water (mW), silicon (Si), and germanium (Ge) over a fairly wide range of temperatures and densities. The relationships between structure, entropy, and mobility, as well as the extent of the regions of anomalous behavior, are discussed as a function of the degree of tetrahedrality. We map out the cascade of density, structural, pair entropy, excess entropy, viscosity, and diffusivity anomalies for these three liquids. Among the three liquids studied here, only mW displays anomalies in the thermal conductivity, and this anomaly is evident only at very low temperatures. Diffusivity and viscosity, on the other hand, show pronounced anomalous regions for the three liquids. The temperature of maximum density of the three liquids shows re-entrant behavior consistent with either singularity-free or liquid-liquid critical point scenarios proposed to explain thermodynamic anomalies. The order-map, which shows the evolution of translational versus tetrahedral order in liquids, is different for Ge than for Si and mW. We find that although the monatomic water reproduces several thermodynamic and dynamic properties of rigid-body water models (e.g., SPC/E, TIP4P/2005), its sequence of anomalies follows, the same as Si and Ge, the silica-like hierarchy: the region of dynamic (diffusivity and viscosity) anomalies encloses the region of structural anomalies, which in turn encloses the region of density anomaly. The hierarchy of the anomalies based on excess entropy and Rosenfeld scaling, on the other hand, reverses the order of the structural and dynamic anomalies, i.e., predicts that the three Stillinger-Weber liquids follow a water-like hierarchy of anomalies. We investigate the scaling of diffusivity, viscosity, and thermal conductivity with the excess entropy of the liquid and find that for dynamical properties that present anomalies there is no universal scaling of the reduced property with excess entropy for the whole range of temperatures and densities. Instead, Rosenfeld's scaling holds for all the three liquids at high densities and high temperatures, although deviations from simple exponential dependence are observed for diffusivity and viscosity at lower temperatures and intermediate densities. The slope of the scaling of transport properties obtained for Ge is comparable to that obtained for simple liquids, suggesting that this low tetrahedrality liquid, although it stabilizes a diamond crystal, is already close to simple liquid behavior for certain properties.

Comparison of liquid-state anomalies in Stillinger-Weber models of water, silicon, and germanium.

PubMed

Dhabal, Debdas; Chakravarty, Charusita; Molinero, Valeria; Kashyap, Hemant K

2016-12-07

We use molecular dynamics simulations to compare and contrast the liquid-state anomalies in the Stillinger-Weber models of monatomic water (mW), silicon (Si), and germanium (Ge) over a fairly wide range of temperatures and densities. The relationships between structure, entropy, and mobility, as well as the extent of the regions of anomalous behavior, are discussed as a function of the degree of tetrahedrality. We map out the cascade of density, structural, pair entropy, excess entropy, viscosity, and diffusivity anomalies for these three liquids. Among the three liquids studied here, only mW displays anomalies in the thermal conductivity, and this anomaly is evident only at very low temperatures. Diffusivity and viscosity, on the other hand, show pronounced anomalous regions for the three liquids. The temperature of maximum density of the three liquids shows re-entrant behavior consistent with either singularity-free or liquid-liquid critical point scenarios proposed to explain thermodynamic anomalies. The order-map, which shows the evolution of translational versus tetrahedral order in liquids, is different for Ge than for Si and mW. We find that although the monatomic water reproduces several thermodynamic and dynamic properties of rigid-body water models (e.g., SPC/E, TIP4P/2005), its sequence of anomalies follows, the same as Si and Ge, the silica-like hierarchy: the region of dynamic (diffusivity and viscosity) anomalies encloses the region of structural anomalies, which in turn encloses the region of density anomaly. The hierarchy of the anomalies based on excess entropy and Rosenfeld scaling, on the other hand, reverses the order of the structural and dynamic anomalies, i.e., predicts that the three Stillinger-Weber liquids follow a water-like hierarchy of anomalies. We investigate the scaling of diffusivity, viscosity, and thermal conductivity with the excess entropy of the liquid and find that for dynamical properties that present anomalies there is no universal scaling of the reduced property with excess entropy for the whole range of temperatures and densities. Instead, Rosenfeld's scaling holds for all the three liquids at high densities and high temperatures, although deviations from simple exponential dependence are observed for diffusivity and viscosity at lower temperatures and intermediate densities. The slope of the scaling of transport properties obtained for Ge is comparable to that obtained for simple liquids, suggesting that this low tetrahedrality liquid, although it stabilizes a diamond crystal, is already close to simple liquid behavior for certain properties.

Shaping Education Policy: Power and Process

ERIC Educational Resources Information Center

Mitchell, Douglas E., Ed.; Crowson, Robert L., Ed.; Shipps, Dorothy, Ed.

2011-01-01

"Shaping Education Policy" is a comprehensive overview of education politics and policy during the most turbulent and rapidly changing period in American history. Respected scholars review the history of education policy to explain the political powers and processes that shape education today. Chapters cover major themes that have…

Time-dependent entropy evolution in microscopic and macroscopic electromagnetic relaxation

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

Baker-Jarvis, James

This paper is a study of entropy and its evolution in the time and frequency domains upon application of electromagnetic fields to materials. An understanding of entropy and its evolution in electromagnetic interactions bridges the boundaries between electromagnetism and thermodynamics. The approach used here is a Liouville-based statistical-mechanical theory. I show that the microscopic entropy is reversible and the macroscopic entropy satisfies an H theorem. The spectral entropy development can be very useful for studying the frequency response of materials. Using a projection-operator based nonequilibrium entropy, different equations are derived for the entropy and entropy production and are applied tomore » the polarization, magnetization, and macroscopic fields. I begin by proving an exact H theorem for the entropy, progress to application of time-dependent entropy in electromagnetics, and then apply the theory to relevant applications in electromagnetics. The paper concludes with a discussion of the relationship of the frequency-domain form of the entropy to the permittivity, permeability, and impedance.« less

Entropy flow and entropy production in the human body in basal conditions.

PubMed

Aoki, I

1989-11-08

Entropy inflow and outflow for the naked human body in basal conditions in the respiration calorimeter due to infrared radiation, convection, evaporation of water and mass-flow are calculated by use of the energetic data obtained by Hardy & Du Bois. Also, the change of entropy content in the body is estimated. The entropy production in the human body is obtained as the change of entropy content minus the net entropy flow into the body. The entropy production thus calculated becomes positive. The magnitude of entropy production per effective radiating surface area does not show any significant variation with subjects. The entropy production is nearly constant at the calorimeter temperatures of 26-32 degrees C; the average in this temperature range is 0.172 J m-2 sec-1 K-1. The forced air currents around the human body and also clothing have almost no effect in changing the entropy production. Thus, the entropy production of the naked human body in basal conditions does not depend on its environmental factors.

Minimal entropy reconstructions of thermal images for emissivity correction

NASA Astrophysics Data System (ADS)

Allred, Lloyd G.

1999-03-01

Low emissivity with corresponding low thermal emission is a problem which has long afflicted infrared thermography. The problem is aggravated by reflected thermal energy which increases as the emissivity decreases, thus reducing the net signal-to-noise ratio, which degrades the resulting temperature reconstructions. Additional errors are introduced from the traditional emissivity-correction approaches, wherein one attempts to correct for emissivity either using thermocouples or using one or more baseline images, collected at known temperatures. These corrections are numerically equivalent to image differencing. Errors in the baseline images are therefore additive, causing the resulting measurement error to either double or triple. The practical application of thermal imagery usually entails coating the objective surface to increase the emissivity to a uniform and repeatable value. While the author recommends that the thermographer still adhere to this practice, he has devised a minimal entropy reconstructions which not only correct for emissivity variations, but also corrects for variations in sensor response, using the baseline images at known temperatures to correct for these values. The minimal energy reconstruction is actually based on a modified Hopfield neural network which finds the resulting image which best explains the observed data and baseline data, having minimal entropy change between adjacent pixels. The autocorrelation of temperatures between adjacent pixels is a feature of most close-up thermal images. A surprising result from transient heating data indicates that the resulting corrected thermal images have less measurement error and are closer to the situational truth than the original data.

How the Second Law of Thermodynamics Has Informed Ecosystem Ecology through Its History

NASA Astrophysics Data System (ADS)

Chapman, E. J.; Childers, D. L.; Vallino, J. J.

2014-12-01

Throughout the history of ecosystem ecology many attempts have been made to develop a general principle governing how systems develop and organize. We reviewed the historical developments that led to conceptualization of several goal-oriented principles in ecosystem ecology and the relationships among them. We focused our review on two prominent principles—the Maximum Power Principle and the Maximum Entropy Production Principle—and the literature that applies to both. While these principles have considerable conceptual overlap and both use concepts in physics (power and entropy), we found considerable differences in their historical development, the disciplines that apply these principles, and their adoption in the literature. We reviewed the literature using Web of Science keyword searches for the MPP, the MEPP, as well as for papers that cited pioneers in the MPP and the MEPP development. From the 6000 papers that our keyword searches returned, we limited our further meta-analysis to 32 papers by focusing on studies with a foundation in ecosystems research. Despite these seemingly disparate pasts, we concluded that the conceptual approaches of these two principles were more similar than dissimilar and that maximization of power in ecosystems occurs with maximum entropy production. We also found that these two principles have great potential to explain how systems develop, organize, and function, but there are no widely agreed upon theoretical derivations for the MEPP or the MPP, possibly hindering their broader use in ecological research. We end with recommendations for how ecosystems-level studies may better use these principles.

Thermal properties of adsorbed molecule in external field

NASA Astrophysics Data System (ADS)

Devi, Sumana; Vidhani, Bhavna; Prasad, Vinod

2018-05-01

Thermodynamic properties such as free energy, internal energy, entropy and specific heat of an adsorbed molecule are systematically investigated in static electric field for four different confinements. The confined potentials taken are suitable for different experimental conditions and are very useful in determining properties of molecules adsorbed under different environments. The time independent Schrödinger equation is solved numerically using accurate 9-point finite difference method. The Energy spectrum thus obtained is used to find thermal properties of the adsorbed molecule. Interesting results are obtained and explained.

Keldysh formalism for multiple parallel worlds

NASA Astrophysics Data System (ADS)

Ansari, M.; Nazarov, Y. V.

2016-03-01

We present a compact and self-contained review of the recently developed Keldysh formalism for multiple parallel worlds. The formalism has been applied to consistent quantum evaluation of the flows of informational quantities, in particular, to the evaluation of Renyi and Shannon entropy flows. We start with the formulation of the standard and extended Keldysh techniques in a single world in a form convenient for our presentation. We explain the use of Keldysh contours encompassing multiple parallel worlds. In the end, we briefly summarize the concrete results obtained with the method.

The Creative Chaos: Speculations on the Connection Between Non-Linear Dynamics and the Creative Process

NASA Astrophysics Data System (ADS)

Zausner, Tobi

Chaos theory may provide models for creativity and for the personality of the artist. A collection of speculative hypotheses examines the connection between art and such fundamentals of non-linear dynamics as iteration, dissipative processes, open systems, entropy, sensitivity to stimuli, autocatalysis, subsystems, bifurcations, randomness, unpredictability, irreversibility, increasing levels of organization, far-from-equilibrium conditions, strange attractors, period doubling, intermittency and self-similar fractal organization. Non-linear dynamics may also explain why certain individuals suffer mental disorders while others remain intact during a lifetime of sustained creative output.

Keldysh formalism for multiple parallel worlds

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

Ansari, M.; Nazarov, Y. V., E-mail: y.v.nazarov@tudelft.nl

We present a compact and self-contained review of the recently developed Keldysh formalism for multiple parallel worlds. The formalism has been applied to consistent quantum evaluation of the flows of informational quantities, in particular, to the evaluation of Renyi and Shannon entropy flows. We start with the formulation of the standard and extended Keldysh techniques in a single world in a form convenient for our presentation. We explain the use of Keldysh contours encompassing multiple parallel worlds. In the end, we briefly summarize the concrete results obtained with the method.

Human Facial Shape and Size Heritability and Genetic Correlations.

PubMed

Cole, Joanne B; Manyama, Mange; Larson, Jacinda R; Liberton, Denise K; Ferrara, Tracey M; Riccardi, Sheri L; Li, Mao; Mio, Washington; Klein, Ophir D; Santorico, Stephanie A; Hallgrímsson, Benedikt; Spritz, Richard A

2017-02-01

The human face is an array of variable physical features that together make each of us unique and distinguishable. Striking familial facial similarities underscore a genetic component, but little is known of the genes that underlie facial shape differences. Numerous studies have estimated facial shape heritability using various methods. Here, we used advanced three-dimensional imaging technology and quantitative human genetics analysis to estimate narrow-sense heritability, heritability explained by common genetic variation, and pairwise genetic correlations of 38 measures of facial shape and size in normal African Bantu children from Tanzania. Specifically, we fit a linear mixed model of genetic relatedness between close and distant relatives to jointly estimate variance components that correspond to heritability explained by genome-wide common genetic variation and variance explained by uncaptured genetic variation, the sum representing total narrow-sense heritability. Our significant estimates for narrow-sense heritability of specific facial traits range from 28 to 67%, with horizontal measures being slightly more heritable than vertical or depth measures. Furthermore, for over half of facial traits, >90% of narrow-sense heritability can be explained by common genetic variation. We also find high absolute genetic correlation between most traits, indicating large overlap in underlying genetic loci. Not surprisingly, traits measured in the same physical orientation (i.e., both horizontal or both vertical) have high positive genetic correlations, whereas traits in opposite orientations have high negative correlations. The complex genetic architecture of facial shape informs our understanding of the intricate relationships among different facial features as well as overall facial development. Copyright © 2017 by the Genetics Society of America.

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

NASA Astrophysics Data System (ADS)

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

2017-09-01

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

Binding Affinity prediction with Property Encoded Shape Distribution signatures

PubMed Central

Das, Sourav; Krein, Michael P.

2010-01-01

We report the use of the molecular signatures known as “Property-Encoded Shape Distributions” (PESD) together with standard Support Vector Machine (SVM) techniques to produce validated models that can predict the binding affinity of a large number of protein ligand complexes. This “PESD-SVM” method uses PESD signatures that encode molecular shapes and property distributions on protein and ligand surfaces as features to build SVM models that require no subjective feature selection. A simple protocol was employed for tuning the SVM models during their development, and the results were compared to SFCscore – a regression-based method that was previously shown to perform better than 14 other scoring functions. Although the PESD-SVM method is based on only two surface property maps, the overall results were comparable. For most complexes with a dominant enthalpic contribution to binding (ΔH/-TΔS > 3), a good correlation between true and predicted affinities was observed. Entropy and solvent were not considered in the present approach and further improvement in accuracy would require accounting for these components rigorously. PMID:20095526

A model of growth restraints to explain the development and evolution of tooth shapes in mammals.

PubMed

Osborn, Jeffrey W

2008-12-07

The problem investigated here is control of the development of tooth shape. Cells at the growing soft tissue interface between the ectoderm and mesoderm in a tooth anlage are observed to buckle and fold into a template for the shape of the tooth crown. The final shape is created by enamel secreted onto the folds. The pattern in which the folds develop is generally explained as a response to the pattern in which genes are locally expressed at the interface. This congruence leaves the problem of control unanswered because it does not explain how either pattern is controlled. Obviously, cells are subject to Newton's laws of motion so that mechanical forces and constraints must ultimately cause the movements of cells during tooth morphogenesis. A computer model is used to test the hypothesis that directional resistances to growth of the epithelial part of the interface could account for the shape into which the interface folds. The model starts with a single epithelial cell whose growth is constrained by 4 constant directional resistances (anterior, posterior, medial and lateral). The constraints force the growing epithelium to buckle and fold. By entering into the model different values for these constraints the modeled epithelium is induced to buckle and fold into the different shapes associated with the evolution of a human upper molar from that of a reptilian ancestor. The patterns and sizes of cusps and the sequences in which they develop are all correctly reproduced. The model predicts the changes in the 4 directional constraints necessary to develop and evolve from one tooth shape into another. I conclude more generally expressed genes that control directional resistances to growth, not locally expressed genes, may provide the information for the shape into which a tooth develops.

Multiwavelet packet entropy and its application in transmission line fault recognition and classification.

PubMed

Liu, Zhigang; Han, Zhiwei; Zhang, Yang; Zhang, Qiaoge

2014-11-01

Multiwavelets possess better properties than traditional wavelets. Multiwavelet packet transformation has more high-frequency information. Spectral entropy can be applied as an analysis index to the complexity or uncertainty of a signal. This paper tries to define four multiwavelet packet entropies to extract the features of different transmission line faults, and uses a radial basis function (RBF) neural network to recognize and classify 10 fault types of power transmission lines. First, the preprocessing and postprocessing problems of multiwavelets are presented. Shannon entropy and Tsallis entropy are introduced, and their difference is discussed. Second, multiwavelet packet energy entropy, time entropy, Shannon singular entropy, and Tsallis singular entropy are defined as the feature extraction methods of transmission line fault signals. Third, the plan of transmission line fault recognition using multiwavelet packet entropies and an RBF neural network is proposed. Finally, the experimental results show that the plan with the four multiwavelet packet energy entropies defined in this paper achieves better performance in fault recognition. The performance with SA4 (symmetric antisymmetric) multiwavelet packet Tsallis singular entropy is the best among the combinations of different multiwavelet packets and the four multiwavelet packet entropies.

Mixing geometric and radiometric features for change classification

NASA Astrophysics Data System (ADS)

Fournier, Alexandre; Descombes, Xavier; Zerubia, Josiane

2008-02-01

Most basic change detection algorithms use a pixel-based approach. Whereas such approach is quite well defined for monitoring important area changes (such as urban growth monitoring) in low resolution images, an object based approach seems more relevant when the change detection is specifically aimed toward targets (such as small buildings and vehicles). In this paper, we present an approach that mixes radiometric and geometric features to qualify the changed zones. The goal is to establish bounds (appearance, disappearance, substitution ...) between the detected changes and the underlying objects. We proceed by first clustering the change map (containing each pixel bitemporal radiosity) in different classes using the entropy-kmeans algorithm. Assuming that most man-made objects have a polygonal shape, a polygonal approximation algorithm is then used in order to characterize the resulting zone shapes. Hence allowing us to refine the primary rough classification, by integrating the polygon orientations in the state space. Tests are currently conducted on Quickbird data.

Different responses of functional traits and diversity of stream macroinvertebrates to environmental and spatial factors in the Xishuangbanna watershed of the upper Mekong River Basin, China.

PubMed

Ding, Ning; Yang, Weifang; Zhou, Yunlei; González-Bergonzoni, Ivan; Zhang, Jie; Chen, Kai; Vidal, Nicolas; Jeppesen, Erik; Liu, Zhengwen; Wang, Beixin

2017-01-01

Functional traits and diversity indices have provided new insights into community responses to stressors. Most traits of aquatic organisms have frequently been tested for predictability and geographical stability in response to environmental variables, but such tests of functional diversity indices are rare. We sampled macroinvertebrates at 18 reference sites (RS) and 35 disturbed sites (DS) from headwater streams in the upper Mekong River Basin, Xishuangbanna (XSBN), China. We selected 29 qualitative categories of eight traits and then calculated five functional diversity indices, namely functional richness (FRic), functional evenness (FEve), functional dispersion (FDis), functional divergence (FDiv) and Rao's Quadratic Entropy (RaoQ), and two trait diversity indices, namely trait richness (TR) and trait diversity (TD). We used combination of RLQ and fourth-corner to examine the response of traits and functional diversity to the disturbance and environmental variables. We used variance partitioning to explore the relative role of environmental variables and spatial factors in constraining trait composition and functional diversity. We found that the relative frequency of ten trait categories, and the values of TD, TR, FRic and FDis in RS were significantly different (p<0.05) from DS. In addition, the seven traits (except for "habit") demonstrated a predictable response of trait patterns along the integrative environmental gradients. Environmental variables significantly contributed to most of the traits, functional diversity and trait diversity. However, spatial variables were mainly significant in shaping ecological traits, FRic and FEve. Our results confirm the dominant role of environmental variables in the determination of community trait composition and functional diversity, and substantiate the contribution of spatial vectors in explaining the variance of functional traits and diversity. We conclude that the traits "Refuge", "External protection", "Respiration" and "Body shape", and diversity indices FDis, TD, and TR are promising indicators of stream conditions at XSBN. Copyright © 2016 Elsevier B.V. All rights reserved.

Uniqueness and characterization theorems for generalized entropies

NASA Astrophysics Data System (ADS)

Enciso, Alberto; Tempesta, Piergiulio

2017-12-01

The requirement that an entropy function be composable is key: it means that the entropy of a compound system can be calculated in terms of the entropy of its independent components. We prove that, under mild regularity assumptions, the only composable generalized entropy in trace form is the Tsallis one-parameter family (which contains Boltzmann-Gibbs as a particular case). This result leads to the use of generalized entropies that are not of trace form, such as Rényi’s entropy, in the study of complex systems. In this direction, we also present a characterization theorem for a large class of composable non-trace-form entropy functions with features akin to those of Rényi’s entropy.

Galaxy Clusters: A Novel Look at Diffuse Baryons Withstanding Dark Matter Gravity

NASA Astrophysics Data System (ADS)

Cavaliere, A.; Lapi, A.; Fusco-Femiano, R.

2009-06-01

In galaxy clusters, the equilibria of the intracluster plasma (ICP) and of the gravitationally dominant dark matter (DM) are governed by the hydrostatic equation and by the Jeans equation, respectively; in either case gravity is withstood by the corresponding, entropy-modulated pressure. Jeans, with the DM "entropy" set to K vprop r α and α ≈ 1.25-1.3 applying from groups to rich clusters, yields our radial α-profiles these, compared to the empirical Navarro-Frenk-White distribution, are flatter at the center and steeper in the outskirts as required by recent gravitational lensing data. In the ICP, on the other hand, the entropy run k(r) is mainly shaped by shocks, as steadily set by supersonic accretion of gas at the cluster boundary, and intermittently driven from the center by merging events or by active galactic nuclei (AGNs); the resulting equilibrium is described by the exact yet simple formalism constituting our ICP Supermodel. With two parameters, this accurately represents the runs of density n(r) and temperature T(r) as required by up-to-date X-ray data on surface brightness and spectroscopy for both cool core (CC) and non-cool core (NCC) clusters; the former are marked by a middle temperature peak, whose location is predicted from rich clusters to groups. The Supermodel inversely links the inner runs of n(r) and T(r), and highlights their central scaling with entropy nc vprop k -1 c and Tc vprop k 0.35 c , to yield radiative cooling times tc ≈ 0.3(kc /15 keV cm2)1.2 Gyr. We discuss the stability of the central values so focused: against radiative erosion of kc in the cool dense conditions of CC clusters, that triggers recurrent AGN activities resetting it back; or against energy inputs from AGNs and mergers whose effects are saturated by the hot central conditions of NCC clusters. From the Supermodel, we also derive as limiting cases the classic polytropic β-models, and the "mirror" model with T(r) vprop σ2(r) suitable for NCC and CC clusters, respectively; these limiting cases highlight how the ICP temperature T(r) strives to mirror the DM velocity dispersion σ2(r) away from energy and entropy injections. Finally, we discuss how the Supermodel connects information derived from X-ray and gravitational lensing observations.

Magnetocaloric effect in potassium doped lanthanum manganite perovskites prepared by a pyrophoric method

NASA Astrophysics Data System (ADS)

Das, Soma; Dey, T. K.

2006-08-01

The magnetocaloric effect (MCE) in fine grained perovskite manganites of the type La1-xKxMnO3 (0

Hunting Solomonoff's Swans: Exploring the Boundary Between Physics and Statistics in Hydrological Modeling

NASA Astrophysics Data System (ADS)

Nearing, G. S.

2014-12-01

Statistical models consistently out-perform conceptual models in the short term, however to account for a nonstationary future (or an unobserved past) scientists prefer to base predictions on unchanging and commutable properties of the universe - i.e., physics. The problem with physically-based hydrology models is, of course, that they aren't really based on physics - they are based on statistical approximations of physical interactions, and we almost uniformly lack an understanding of the entropy associated with these approximations. Thermodynamics is successful precisely because entropy statistics are computable for homogeneous (well-mixed) systems, and ergodic arguments explain the success of Newton's laws to describe systems that are fundamentally quantum in nature. Unfortunately, similar arguments do not hold for systems like watersheds that are heterogeneous at a wide range of scales. Ray Solomonoff formalized the situation in 1968 by showing that given infinite evidence, simultaneously minimizing model complexity and entropy in predictions always leads to the best possible model. The open question in hydrology is about what happens when we don't have infinite evidence - for example, when the future will not look like the past, or when one watershed does not behave like another. How do we isolate stationary and commutable components of watershed behavior? I propose that one possible answer to this dilemma lies in a formal combination of physics and statistics. In this talk I outline my recent analogue (Solomonoff's theorem was digital) of Solomonoff's idea that allows us to quantify the complexity/entropy tradeoff in a way that is intuitive to physical scientists. I show how to formally combine "physical" and statistical methods for model development in a way that allows us to derive the theoretically best possible model given any given physics approximation(s) and available observations. Finally, I apply an analogue of Solomonoff's theorem to evaluate the tradeoff between model complexity and prediction power.

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

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

Shapes of Bubbles and Drops in Motion.

ERIC Educational Resources Information Center

O'Connell, James

2000-01-01

Explains the shape distortions that take place in fluid packets (bubbles or drops) with steady flow motion by using the laws of Archimedes, Pascal, and Bernoulli rather than advanced vector calculus. (WRM)

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

PubMed

Abe, Sumiyoshi

2002-10-01

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

Detecting causality in policy diffusion processes.

PubMed

Grabow, Carsten; Macinko, James; Silver, Diana; Porfiri, Maurizio

2016-08-01

A universal question in network science entails learning about the topology of interaction from collective dynamics. Here, we address this question by examining diffusion of laws across US states. We propose two complementary techniques to unravel determinants of this diffusion process: information-theoretic union transfer entropy and event synchronization. In order to systematically investigate their performance on law activity data, we establish a new stochastic model to generate synthetic law activity data based on plausible networks of interactions. Through extensive parametric studies, we demonstrate the ability of these methods to reconstruct networks, varying in size, link density, and degree heterogeneity. Our results suggest that union transfer entropy should be preferred for slowly varying processes, which may be associated with policies attending to specific local problems that occur only rarely or with policies facing high levels of opposition. In contrast, event synchronization is effective for faster enactment rates, which may be related to policies involving Federal mandates or incentives. This study puts forward a data-driven toolbox to explain the determinants of legal activity applicable to political science, across dynamical systems, information theory, and complex networks.

Moderate point: Balanced entropy and enthalpy contributions in soft matter

NASA Astrophysics Data System (ADS)

He, Baoji; Wang, Yanting

2017-03-01

Various soft materials share some common features, such as significant entropic effect, large fluctuations, sensitivity to thermodynamic conditions, and mesoscopic characteristic spatial and temporal scales. However, no quantitative definitions have yet been provided for soft matter, and the intrinsic mechanisms leading to their common features are unclear. In this work, from the viewpoint of statistical mechanics, we show that soft matter works in the vicinity of a specific thermodynamic state named moderate point, at which entropy and enthalpy contributions among substates along a certain order parameter are well balanced or have a minimal difference. Around the moderate point, the order parameter fluctuation, the associated response function, and the spatial correlation length maximize, which explains the large fluctuation, the sensitivity to thermodynamic conditions, and mesoscopic spatial and temporal scales of soft matter, respectively. Possible applications to switching chemical bonds or allosteric biomachines determining their best working temperatures are also briefly discussed. Project supported by the National Basic Research Program of China (Grant No. 2013CB932804) and the National Natural Science Foundation of China (Grant Nos. 11274319 and 11421063).

Entropic (de)stabilization of surface-bound peptides conjugated with polymers

NASA Astrophysics Data System (ADS)

Carmichael, Scott P.; Shell, M. Scott

2015-12-01

In many emerging biotechnologies, functional proteins must maintain their native structures on or near interfaces (e.g., tethered peptide arrays, protein coated nanoparticles, and amphiphilic peptide micelles). Because the presence of a surface is known to dramatically alter the thermostability of tethered proteins, strategies to stabilize surface-bound proteins are highly sought. Here, we show that polymer conjugation allows for significant control over the secondary structure and thermostability of a model surface-tethered peptide. We use molecular dynamics simulations to examine the folding behavior of a coarse-grained helical peptide that is conjugated to polymers of various lengths and at various conjugation sites. These polymer variations reveal surprisingly diverse behavior, with some stabilizing and some destabilizing the native helical fold. We show that ideal-chain polymer entropies explain these varied effects and can quantitatively predict shifts in folding temperature. We then develop a generic theoretical model, based on ideal-chain entropies, that predicts critical lengths for conjugated polymers to effect changes in the folding of a surface-bound protein. These results may inform new design strategies for the stabilization of surface-associated proteins important for a range technological applications.

Effect of Quenched Disorder in the Entropy-Jump at the First-Order Vortex Phase Transition of Bi $_{2} 2 Sr _{2} 2 CaCu _{2} 2 O _{8 + delta }$ 8 + δ

NASA Astrophysics Data System (ADS)

Dolz, M. I.; Pedrazzini, P.; Pastoriza, H.; Konczykowski, M.; Fasano, Y.

2015-04-01

We study the effect of quenched disorder in the thermodynamic magnitudes entailed in the first-order vortex phase transition of the extremely layered BiSrCaCuO compound. We track the temperature-evolution of the enthalpy and the entropy jump at the vortex solidification transition by means of AC local magnetic measurements. Quenched disorder is introduced to the pristine samples by means of heavy-ion irradiation with Pb and Xe producing a random columnar-track pins distribution with different densities (matching field ). In contrast with previous magneto-optical reports, we find that the first-order phase transition persists for samples with up to 100 Gauss. For very low densities of quenched disorder (pristine samples), the evolution of the thermodynamic properties can be satisfactorily explained considering a negligible effect of pinning and only electromagnetic coupling between pancake vortices lying in adjacent CuO planes. This description is not satisfactory on increasing magnitude of quenched disorder.

Entropic (de)stabilization of surface-bound peptides conjugated with polymers.

PubMed

Carmichael, Scott P; Shell, M Scott

2015-12-28

In many emerging biotechnologies, functional proteins must maintain their native structures on or near interfaces (e.g., tethered peptide arrays, protein coated nanoparticles, and amphiphilic peptide micelles). Because the presence of a surface is known to dramatically alter the thermostability of tethered proteins, strategies to stabilize surface-bound proteins are highly sought. Here, we show that polymer conjugation allows for significant control over the secondary structure and thermostability of a model surface-tethered peptide. We use molecular dynamics simulations to examine the folding behavior of a coarse-grained helical peptide that is conjugated to polymers of various lengths and at various conjugation sites. These polymer variations reveal surprisingly diverse behavior, with some stabilizing and some destabilizing the native helical fold. We show that ideal-chain polymer entropies explain these varied effects and can quantitatively predict shifts in folding temperature. We then develop a generic theoretical model, based on ideal-chain entropies, that predicts critical lengths for conjugated polymers to effect changes in the folding of a surface-bound protein. These results may inform new design strategies for the stabilization of surface-associated proteins important for a range technological applications.

Thermodynamics, Life, the Universe and Everything

NASA Astrophysics Data System (ADS)

Neswald, Elizabeth

2015-01-01

The laws of thermodynamics were developed in the first half of the nineteenth century to describe processes governing the working of steam engines. The mechanical equivalent of heat, which quantified the relationship between heat and motion, enabled the quantification and comparison of all energy transformation processes. The energy laws and the mechanical equivalent of heat quickly moved out of the narrower field of physics to form the basis of a cosmic narrative that began with stellar evolution and continued to universal heat death. Newer physiological theories turned to the energy laws to explain life processes, energy and entropy were integrated into theories of biological evolution and degeneration, and economists and cultural theorists turned to thermodynamics to explore both the limits of natural resources and economic expansion and the contradictions of industrial modernity. This paper discusses the career of thermodynamics as an explanatory model and cultural commonplace in the late nineteenth and early twentieth centuries, and the different scientific, religious, and social perspectives that could be expressed through this model. Connected through the entropy law intimately to irreversible processes and time, thermodynamics provided an arena to debate which way the world was going.

Detecting causality in policy diffusion processes

NASA Astrophysics Data System (ADS)

Grabow, Carsten; Macinko, James; Silver, Diana; Porfiri, Maurizio

2016-08-01

A universal question in network science entails learning about the topology of interaction from collective dynamics. Here, we address this question by examining diffusion of laws across US states. We propose two complementary techniques to unravel determinants of this diffusion process: information-theoretic union transfer entropy and event synchronization. In order to systematically investigate their performance on law activity data, we establish a new stochastic model to generate synthetic law activity data based on plausible networks of interactions. Through extensive parametric studies, we demonstrate the ability of these methods to reconstruct networks, varying in size, link density, and degree heterogeneity. Our results suggest that union transfer entropy should be preferred for slowly varying processes, which may be associated with policies attending to specific local problems that occur only rarely or with policies facing high levels of opposition. In contrast, event synchronization is effective for faster enactment rates, which may be related to policies involving Federal mandates or incentives. This study puts forward a data-driven toolbox to explain the determinants of legal activity applicable to political science, across dynamical systems, information theory, and complex networks.

On the entropy variation in the scenario of entropic gravity

NASA Astrophysics Data System (ADS)

Xiao, Yong; Bai, Shi-Yang

2018-05-01

In the scenario of entropic gravity, entropy varies as a function of the location of the matter, while the tendency to increase entropy appears as gravity. We concentrate on studying the entropy variation of a typical gravitational system with different relative positions between the mass and the gravitational source. The result is that the entropy of the system doesn't increase when the mass is displaced closer to the gravitational source. In this way it disproves the proposal of entropic gravity from thermodynamic entropy. It doesn't exclude the possibility that gravity originates from non-thermodynamic entropy like entanglement entropy.

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

NASA Technical Reports Server (NTRS)

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

1993-01-01

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

Logarithmic black hole entropy corrections and holographic Rényi entropy

NASA Astrophysics Data System (ADS)

Mahapatra, Subhash

2018-01-01

The entanglement and Rényi entropies for spherical entangling surfaces in CFTs with gravity duals can be explicitly calculated by mapping these entropies first to the thermal entropy on hyperbolic space and then, using the AdS/CFT correspondence, to the Wald entropy of topological black holes. Here we extend this idea by taking into account corrections to the Wald entropy. Using the method based on horizon symmetries and the asymptotic Cardy formula, we calculate corrections to the Wald entropy and find that these corrections are proportional to the logarithm of the area of the horizon. With the corrected expression for the entropy of the black hole, we then find corrections to the Rényi entropies. We calculate these corrections for both Einstein and Gauss-Bonnet gravity duals. Corrections with logarithmic dependence on the area of the entangling surface naturally occur at the order GD^0. The entropic c-function and the inequalities of the Rényi entropy are also satisfied even with the correction terms.

Computer program for calculating supersonic flow about circular, elliptic, and bielliptic cones by the method of lines

NASA Technical Reports Server (NTRS)

Klunker, E. B.; South, J. C., Jr.; Davis, R. M.

1972-01-01

A user's manual for a computer program which calculates the supersonic flow about circular, elliptic, and bielliptic cones at incidence and elliptic cones at yaw by the method of lines is presented. The program is automated to compute a case from known or easily calculated solution by changing the parameters through a sequence of steps. It provides information including the shock shape, flow field, isentropic surface properties, entropy layer, and force coefficients. A description of the program operation, sample computations, and a FORTRAN 4 listing are presented.

Structure-Guided Insights into the Function of Merlin in Neurofibromatosis 2 (NF2)

DTIC Science & Technology

2011-08-01

laboratory of Dr. Lars Pederson (NIEHS-NIH, Research Triangle Park, North Carolina) that harbor entropy mutations on the surface of MBP, and which... mutations . Am J Hum Genet 66: 873–891. 37. Lawrence MC, Colman PM (1993) Shape complementar - ity at protein/protein interfaces. J Mol Biol 234:946–950. 38...Appendices…………………………………………………………………………… 10 3 INTRODUCTION: Neurofibromatosis type 2 (NF2) is caused by inherited or sporadic mutations

Optimizing the multicycle subrotational internal cooling of diatomic molecules

NASA Astrophysics Data System (ADS)

Aroch, A.; Kallush, S.; Kosloff, R.

2018-05-01

Subrotational cooling of the AlH+ ion to the miliKelvin regime, using optimally shaped pulses, is computed. The coherent electromagnetic fields induce purity-conserved transformations and do not change the sample temperature. A decrease in a sample temperature, manifested by an increase of purity, is achieved by the complementary uncontrolled spontaneous emission which changes the entropy of the system. We employ optimal control theory to find a pulse that stirs the system into a population configuration that will result in cooling, upon multicycle excitation-emission steps. The obtained optimal transformation was shown capable to cool molecular ions to the subkelvins regime.

Maximum Relative Entropy of Coherence: An Operational Coherence Measure.

PubMed

Bu, Kaifeng; Singh, Uttam; Fei, Shao-Ming; Pati, Arun Kumar; Wu, Junde

2017-10-13

The operational characterization of quantum coherence is the cornerstone in the development of the resource theory of coherence. We introduce a new coherence quantifier based on maximum relative entropy. We prove that the maximum relative entropy of coherence is directly related to the maximum overlap with maximally coherent states under a particular class of operations, which provides an operational interpretation of the maximum relative entropy of coherence. Moreover, we show that, for any coherent state, there are examples of subchannel discrimination problems such that this coherent state allows for a higher probability of successfully discriminating subchannels than that of all incoherent states. This advantage of coherent states in subchannel discrimination can be exactly characterized by the maximum relative entropy of coherence. By introducing a suitable smooth maximum relative entropy of coherence, we prove that the smooth maximum relative entropy of coherence provides a lower bound of one-shot coherence cost, and the maximum relative entropy of coherence is equivalent to the relative entropy of coherence in the asymptotic limit. Similar to the maximum relative entropy of coherence, the minimum relative entropy of coherence has also been investigated. We show that the minimum relative entropy of coherence provides an upper bound of one-shot coherence distillation, and in the asymptotic limit the minimum relative entropy of coherence is equivalent to the relative entropy of coherence.

The Dynameomics Entropy Dictionary: A Large-Scale Assessment of Conformational Entropy across Protein Fold Space.

PubMed

Towse, Clare-Louise; Akke, Mikael; Daggett, Valerie

2017-04-27

Molecular dynamics (MD) simulations contain considerable information with regard to the motions and fluctuations of a protein, the magnitude of which can be used to estimate conformational entropy. Here we survey conformational entropy across protein fold space using the Dynameomics database, which represents the largest existing data set of protein MD simulations for representatives of essentially all known protein folds. We provide an overview of MD-derived entropies accounting for all possible degrees of dihedral freedom on an unprecedented scale. Although different side chains might be expected to impose varying restrictions on the conformational space that the backbone can sample, we found that the backbone entropy and side chain size are not strictly coupled. An outcome of these analyses is the Dynameomics Entropy Dictionary, the contents of which have been compared with entropies derived by other theoretical approaches and experiment. As might be expected, the conformational entropies scale linearly with the number of residues, demonstrating that conformational entropy is an extensive property of proteins. The calculated conformational entropies of folding agree well with previous estimates. Detailed analysis of specific cases identifies deviations in conformational entropy from the average values that highlight how conformational entropy varies with sequence, secondary structure, and tertiary fold. Notably, α-helices have lower entropy on average than do β-sheets, and both are lower than coil regions.

"Parking-garage" structures in nuclear astrophysics and cellular biophysics

NASA Astrophysics Data System (ADS)

Berry, D. K.; Caplan, M. E.; Horowitz, C. J.; Huber, Greg; Schneider, A. S.

2016-11-01

A striking shape was recently observed for the endoplasmic reticulum, a cellular organelle consisting of stacked sheets connected by helical ramps [Terasaki et al., Cell 154, 285 (2013), 10.1016/j.cell.2013.06.031]. This shape is interesting both for its biological function, to synthesize proteins using an increased surface area for ribosome factories, and its geometric properties that may be insensitive to details of the microscopic interactions. In the present work, we find very similar shapes in our molecular dynamics simulations of the nuclear pasta phases of dense nuclear matter that are expected deep in the crust of neutron stars. There are dramatic differences between nuclear pasta and terrestrial cell biology. Nuclear pasta is 14 orders of magnitude denser than the aqueous environs of the cell nucleus and involves strong interactions between protons and neutrons, while cellular-scale biology is dominated by the entropy of water and complex assemblies of biomolecules. Nonetheless, the very similar geometry suggests both systems may have similar coarse-grained dynamics and that the shapes are indeed determined by geometrical considerations, independent of microscopic details. Many of our simulations self-assemble into flat sheets connected by helical ramps. These ramps may impact the thermal and electrical conductivities, viscosity, shear modulus, and breaking strain of neutron star crust. The interaction we use, with Coulomb frustration, may provide a simple model system that reproduces many biologically important shapes.

Shape Ontogeny of the Distal Femur in the Hominidae with Implications for the Evolution of Bipedality

PubMed Central

Tallman, Melissa

2016-01-01

Heterochrony has been invoked to explain differences in the morphology of modern humans as compared to other great apes. The distal femur is one area where heterochrony has been hypothesized to explain morphological differentiation among Plio-Pleistocene hominins. This hypothesis is evaluated here using geometric morphometric data to describe the ontogenetic shape trajectories of extant hominine distal femora and place Plio-Pleistocene hominins within that context. Results of multivariate statistical analyses showed that in both Homo and Gorilla, the shape of the distal femur changes significantly over the course of development, whereas that of Pan changes very little. Development of the distal femur of Homo is characterized by an elongation of the condyles, and a greater degree of enlargement of the medial condyle relative to the lateral condyle, whereas Gorilla are characterized by a greater degree of enlargement of the lateral condyle, relative to the medial. Early Homo and Australopithecus africanus fossils fell on the modern human ontogenetic shape trajectory and were most similar to either adult or adolescent modern humans while specimens of Australopithecus afarensis were more similar to Gorilla/Pan. These results indicate that shape differences among the distal femora of Plio-Pleistocene hominins and humans cannot be accounted for by heterochrony alone; heterochrony could explain a transition from the distal femoral shape of early Homo/A. africanus to modern Homo, but not a transition from A. afarensis to Homo. That change could be the result of genetic or epigenetic factors. PMID:26886416

Double symbolic joint entropy in nonlinear dynamic complexity analysis

NASA Astrophysics Data System (ADS)

Yao, Wenpo; Wang, Jun

2017-07-01

Symbolizations, the base of symbolic dynamic analysis, are classified as global static and local dynamic approaches which are combined by joint entropy in our works for nonlinear dynamic complexity analysis. Two global static methods, symbolic transformations of Wessel N. symbolic entropy and base-scale entropy, and two local ones, namely symbolizations of permutation and differential entropy, constitute four double symbolic joint entropies that have accurate complexity detections in chaotic models, logistic and Henon map series. In nonlinear dynamical analysis of different kinds of heart rate variability, heartbeats of healthy young have higher complexity than those of the healthy elderly, and congestive heart failure (CHF) patients are lowest in heartbeats' joint entropy values. Each individual symbolic entropy is improved by double symbolic joint entropy among which the combination of base-scale and differential symbolizations have best complexity analysis. Test results prove that double symbolic joint entropy is feasible in nonlinear dynamic complexity analysis.

Effect of entropy on anomalous transport in ITG-modes of magneto-plasma

NASA Astrophysics Data System (ADS)

Yaqub Khan, M.; Qaiser Manzoor, M.; Haq, A. ul; Iqbal, J.

2017-04-01

The ideal gas equation and S={{c}v}log ≤ft(P/ρ \\right) (where S is entropy, P is pressure and ρ is the mass density) define the interconnection of entropy with the temperature and density of plasma. Therefore, different phenomena relating to plasma and entropy need to be investigated. By employing the Braginskii transport equations for a nonuniform electron-ion magnetoplasma, two new parameters—the entropy distribution function and the entropy gradient drift—are defined, a new dispersion relation is obtained, and the dependence of anomalous transport on entropy is also proved. Some results, like monotonicity, the entropy principle and the second law of thermodynamics, are proved with a new definition of entropy. This work will open new horizons in fusion processes, not only by controlling entropy in tokamak plasmas—particularly in the pedestal regions of the H-mode and space plasmas—but also in engineering sciences.

Degenerate Ising model for atomistic simulation of crystal-melt interfaces

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

Schebarchov, D., E-mail: Dmitri.Schebarchov@gmail.com; Schulze, T. P., E-mail: schulze@math.utk.edu; Hendy, S. C.

2014-02-21

One of the simplest microscopic models for a thermally driven first-order phase transition is an Ising-type lattice system with nearest-neighbour interactions, an external field, and a degeneracy parameter. The underlying lattice and the interaction coupling constant control the anisotropic energy of the phase boundary, the field strength represents the bulk latent heat, and the degeneracy quantifies the difference in communal entropy between the two phases. We simulate the (stochastic) evolution of this minimal model by applying rejection-free canonical and microcanonical Monte Carlo algorithms, and we obtain caloric curves and heat capacity plots for square (2D) and face-centred cubic (3D) latticesmore » with periodic boundary conditions. Since the model admits precise adjustment of bulk latent heat and communal entropy, neither of which affect the interface properties, we are able to tune the crystal nucleation barriers at a fixed degree of undercooling and verify a dimension-dependent scaling expected from classical nucleation theory. We also analyse the equilibrium crystal-melt coexistence in the microcanonical ensemble, where we detect negative heat capacities and find that this phenomenon is more pronounced when the interface is the dominant contributor to the total entropy. The negative branch of the heat capacity appears smooth only when the equilibrium interface-area-to-volume ratio is not constant but varies smoothly with the excitation energy. Finally, we simulate microcanonical crystal nucleation and subsequent relaxation to an equilibrium Wulff shape, demonstrating the model's utility in tracking crystal-melt interfaces at the atomistic level.« less

One-Dimensional Analysis of Hall Thruster Operating Modes

DTIC Science & Technology

2001-08-01

Hall thruster structure with no screens or other control surfaces makes it difficult to understand the interrelationships which, in the end, localize and shape the various plasma regions existing in the accelerating channel. Since the radial magnetic field is usually shaped with a peak near the channel exit, the plasma structure has often been explained as simply a reflection of the magnetic field distribution. However, this is inadequate to explain the plasma dynamics inside the accelerating channel. We develop a macroscopic model gathering reliability and clarity.

Cross-talk between Rho and Rac GTPases drives deterministic exploration of cellular shape space and morphological heterogeneity.

PubMed

Sailem, Heba; Bousgouni, Vicky; Cooper, Sam; Bakal, Chris

2014-01-22

One goal of cell biology is to understand how cells adopt different shapes in response to varying environmental and cellular conditions. Achieving a comprehensive understanding of the relationship between cell shape and environment requires a systems-level understanding of the signalling networks that respond to external cues and regulate the cytoskeleton. Classical biochemical and genetic approaches have identified thousands of individual components that contribute to cell shape, but it remains difficult to predict how cell shape is generated by the activity of these components using bottom-up approaches because of the complex nature of their interactions in space and time. Here, we describe the regulation of cellular shape by signalling systems using a top-down approach. We first exploit the shape diversity generated by systematic RNAi screening and comprehensively define the shape space a migratory cell explores. We suggest a simple Boolean model involving the activation of Rac and Rho GTPases in two compartments to explain the basis for all cell shapes in the dataset. Critically, we also generate a probabilistic graphical model to show how cells explore this space in a deterministic, rather than a stochastic, fashion. We validate the predictions made by our model using live-cell imaging. Our work explains how cross-talk between Rho and Rac can generate different cell shapes, and thus morphological heterogeneity, in genetically identical populations.

A comparison between semi-spheroid- and dome-shaped quantum dots coupled to wetting layer

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

Shahzadeh, Mohammadreza; Sabaeian, Mohammad, E-mail: Sabaeian@scu.ac.ir

2014-06-15

During the epitaxial growth method, self-assembled semi-spheroid-shaped quantum dots (QDs) are formed on the wetting layer (WL). However for sake of simplicity, researchers sometimes assume semi-spheroid-shaped QDs to be dome-shaped (hemisphere). In this work, a detailed and comprehensive study on the difference between electronic and transition properties of dome- and semi-spheroid-shaped quantum dots is presented. We will explain why the P-to-S intersubband transition behaves the way it does. The calculated results for intersubband P-to-S transition properties of quantum dots show two different trends for dome-shaped and semi-spheroid-shaped quantum dots. The results are interpreted using the probability of finding electron insidemore » the dome/spheroid region, with emphasis on the effects of wetting layer. It is shown that dome-shaped and semi-spheroid-shaped quantum dots feature different electronic and transition properties, arising from the difference in lateral dimensions between dome- and semi-spheroid-shaped QDs. Moreover, an analogy is presented between the bound S-states in the quantum dots and a simple 3D quantum mechanical particle in a box, and effective sizes are calculated. The results of this work will benefit researchers to present more realistic models of coupled QD/WL systems and explain their properties more precisely.« less

Thermodynamic and Differential Entropy under a Change of Variables

PubMed Central

Hnizdo, Vladimir; Gilson, Michael K.

2013-01-01

The differential Shannon entropy of information theory can change under a change of variables (coordinates), but the thermodynamic entropy of a physical system must be invariant under such a change. This difference is puzzling, because the Shannon and Gibbs entropies have the same functional form. We show that a canonical change of variables can, indeed, alter the spatial component of the thermodynamic entropy just as it alters the differential Shannon entropy. However, there is also a momentum part of the entropy, which turns out to undergo an equal and opposite change when the coordinates are transformed, so that the total thermodynamic entropy remains invariant. We furthermore show how one may correctly write the change in total entropy for an isothermal physical process in any set of spatial coordinates. PMID:24436633

Entropy for Mechanically Vibrating Systems

NASA Astrophysics Data System (ADS)

Tufano, Dante

The research contained within this thesis deals with the subject of entropy as defined for and applied to mechanically vibrating systems. This work begins with an overview of entropy as it is understood in the fields of classical thermodynamics, information theory, statistical mechanics, and statistical vibroacoustics. Khinchin's definition of entropy, which is the primary definition used for the work contained in this thesis, is introduced in the context of vibroacoustic systems. The main goal of this research is to to establish a mathematical framework for the application of Khinchin's entropy in the field of statistical vibroacoustics by examining the entropy context of mechanically vibrating systems. The introduction of this thesis provides an overview of statistical energy analysis (SEA), a modeling approach to vibroacoustics that motivates this work on entropy. The objective of this thesis is given, and followed by a discussion of the intellectual merit of this work as well as a literature review of relevant material. Following the introduction, an entropy analysis of systems of coupled oscillators is performed utilizing Khinchin's definition of entropy. This analysis develops upon the mathematical theory relating to mixing entropy, which is generated by the coupling of vibroacoustic systems. The mixing entropy is shown to provide insight into the qualitative behavior of such systems. Additionally, it is shown that the entropy inequality property of Khinchin's entropy can be reduced to an equality using the mixing entropy concept. This equality can be interpreted as a facet of the second law of thermodynamics for vibroacoustic systems. Following this analysis, an investigation of continuous systems is performed using Khinchin's entropy. It is shown that entropy analyses using Khinchin's entropy are valid for continuous systems that can be decomposed into a finite number of modes. The results are shown to be analogous to those obtained for simple oscillators, which demonstrates the applicability of entropy-based approaches to real-world systems. Three systems are considered to demonstrate these findings: 1) a rod end-coupled to a simple oscillator, 2) two end-coupled rods, and 3) two end-coupled beams. The aforementioned work utilizes the weak coupling assumption to determine the entropy of composite systems. Following this discussion, a direct method of finding entropy is developed which does not rely on this limiting assumption. The resulting entropy provides a useful benchmark for evaluating the accuracy of the weak coupling approach, and is validated using systems of coupled oscillators. The later chapters of this work discuss Khinchin's entropy as applied to nonlinear and nonconservative systems, respectively. The discussion of entropy for nonlinear systems is motivated by the desire to expand the applicability of SEA techniques beyond the linear regime. The discussion of nonconservative systems is also crucial, since real-world systems interact with their environment, and it is necessary to confirm the validity of an entropy approach for systems that are relevant in the context of SEA. Having developed a mathematical framework for determining entropy under a number of previously unexplored cases, the relationship between thermodynamics and statistical vibroacoustics can be better understood. Specifically, vibroacoustic temperatures can be obtained for systems that are not necessarily linear or weakly coupled. In this way, entropy provides insight into how the power flow proportionality of statistical energy analysis (SEA) can be applied to a broader class of vibroacoustic systems. As such, entropy is a useful tool for both justifying and expanding the foundational results of SEA.

Entropy is more resistant to artifacts than bispectral index in brain-dead organ donors.

PubMed

Wennervirta, Johanna; Salmi, Tapani; Hynynen, Markku; Yli-Hankala, Arvi; Koivusalo, Anna-Maria; Van Gils, Mark; Pöyhiä, Reino; Vakkuri, Anne

2007-01-01

To evaluate the usefulness of entropy and the bispectral index (BIS) in brain-dead subjects. A prospective, open, nonselective, observational study in the university hospital. 16 brain-dead organ donors. Time-domain electroencephalography (EEG), spectral entropy of the EEG, and BIS were recorded during solid organ harvest. State entropy differed significantly from 0 (isoelectric EEG) 28%, response entropy 29%, and BIS 68% of the total recorded time. The median values during the operation were state entropy 0.0, response entropy 0.0, and BIS 3.0. In four of 16 organ donors studied the EEG was not isoelectric, and nonreactive rhythmic activity was noted in time-domain EEG. After excluding the results from subjects with persistent residual EEG activity state entropy, response entropy, and BIS values differed from zero 17%, 18%, and 62% of the recorded time, respectively. Median values were 0.0, 0.0, and 2.0 for state entropy, response entropy, and BIS, respectively. The highest index values in entropy and BIS monitoring were recorded without neuromuscular blockade. The main sources of artifacts were electrocauterization, 50-Hz artifact, handling of the donor, ballistocardiography, electromyography, and electrocardiography. Both entropy and BIS showed nonzero values due to artifacts after brain death diagnosis. BIS was more liable to artifacts than entropy. Neither of these indices are diagnostic tools, and care should be taken when interpreting EEG and EEG-derived indices in the evaluation of brain death.

Effect of void shape in Czochralski-Si wafers on the intensity of laser-scattering

NASA Astrophysics Data System (ADS)

Takahashi, J.; Kawakami, K.; Nakai, K.

2001-06-01

The shape effect of anisotropic-shaped microvoid defects in Czochralski-grown silicon wafers on the intensity of laser scattering has been investigated. The size and shape of the defects were examined by means of transmission electron microscopy. Octahedral voids in conventional (nitrogen-undoped) wafers showed an almost isotropic scattering property under the incident condition of a p-polarization beam. On the other hand, parallelepiped-plate-shaped voids in nitrogen-doped wafers showed an anisotropic scattering property on both p- and s-polarized components of scattered light, depending strongly on the incident laser direction. The measured results were explained not by scattering calculation using Born approximation but by calculation based on Rayleigh scattering. It was found that the s component is explained by an inclination of a dipole moment induced on a defect from the scattering plane. Furthermore, using numerical electromagnetic analysis it was shown that the asymmetric behavior of the s component on the parallelepiped-plate voids is ascribed to the parallelepiped shape effect. These results suggest that correction of the scattering intensity is necessary to evaluate the size and volume of anisotropic-shaped defects from the scattered intensity.

Amino Acid Properties Conserved in Molecular Evolution

PubMed Central

Rudnicki, Witold R.; Mroczek, Teresa; Cudek, Paweł

2014-01-01

That amino acid properties are responsible for the way protein molecules evolve is natural and is also reasonably well supported both by the structure of the genetic code and, to a large extent, by the experimental measures of the amino acid similarity. Nevertheless, there remains a significant gap between observed similarity matrices and their reconstructions from amino acid properties. Therefore, we introduce a simple theoretical model of amino acid similarity matrices, which allows splitting the matrix into two parts – one that depends only on mutabilities of amino acids and another that depends on pairwise similarities between them. Then the new synthetic amino acid properties are derived from the pairwise similarities and used to reconstruct similarity matrices covering a wide range of information entropies. Our model allows us to explain up to 94% of the variability in the BLOSUM family of the amino acids similarity matrices in terms of amino acid properties. The new properties derived from amino acid similarity matrices correlate highly with properties known to be important for molecular evolution such as hydrophobicity, size, shape and charge of amino acids. This result closes the gap in our understanding of the influence of amino acids on evolution at the molecular level. The methods were applied to the single family of similarity matrices used often in general sequence homology searches, but it is general and can be used also for more specific matrices. The new synthetic properties can be used in analyzes of protein sequences in various biological applications. PMID:24967708

Phonon thermodynamics of iron and cementite

NASA Astrophysics Data System (ADS)

Mauger, Lisa Mary

The vibrational properties of materials are essential to understanding material stability and thermodynamics. In this thesis I outline vibrational thermodynamic models and the experimental tools that provide evidence on phonon behavior. The introductory section discusses the history of metallurgy and thermodynamic theory, with an emphasis on the role of iron and cementite, two important components of steels. The thermodynamic framework for understanding vibrational material behavior is provided alongside the growing body of experimental and computational tools that provide physical insight on vibrational properties. The high temperature vibrational behavior of iron and cementite are explored within this context in the final chapters. Body-centered-cubic iron exhibits decreasing phonon energies at elevated temperatures. The observed energy change in not uniform across phonon modes in iron, and specific phonon modes show significant decreases in energy that are not explained by simple vibrational models. This anomalously energy decrease is linked to the second-nearest-neighbor interactions in the bcc structure, through examination of fitted interatomic force constants. The large changes in phonon energy result in a significant increase in the vibrational entropy, called the nonharmonic vibrational entropy, which emulates the temperature behavior of the magnetic entropy across the Curie temperature. The nonharmonic vibrational entropy is attributed to interactions between the vibrations and state of magnetic disorder in the material, which persists above the magnetic transitions and extends the stability region of the bcc phase. Orthorombic cementite, Fe3C, exhibits anisotropic magneto-volume behavior in the ferromagnetic phase including regions very low thermal expansion. The phonon modes of cementite show anomalous temperature dependence, with low energy phonon modes increasing their energy at elevated temperatures in the ferromagnetic phase. This behavior is reversed after the magnetic transition and these same phonon modes lower their energies with temperature, consistent with observed thermal expansion. This atypical phonon behavior lowers the vibrational entropy of cementite up to the Curie temperature. The experimentally observed increase in low energy acoustic phonons affects the elastic behavior of Fe3C, increasing the isotropy of elastic response. First principles calculations link the observed phonon energy increases to specific vibrational modes that are polarized along the b-axis, which aligns with the closest Fe-Fe bonding direction. The nonharmonic behavior of the vibrational modes are discussed in the context of other observations of anomalous anisotropic magneto-volume behavior in Fe3C.

Thermodynamics of fluid conduction through hydrophobic channel of carbon nanotubes: The exciting force for filling of nanotubes with polar and nonpolar fluids

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

Sahu, Pooja; Ali, Sk. M., E-mail: musharaf@barc.gov.in; Shenoy, K. T.

2015-02-21

Thermodynamic properties of the fluid in the hydrophobic pores of nanotubes are known to be different not only from the bulk phase but also from other conventional confinements. Here, we use a recently developed theoretical scheme of “two phase thermodynamic (2PT)” model to understand the driving forces inclined to spontaneous filling of carbon nanotubes (CNTs) with polar (water) and nonpolar (methane) fluids. The CNT confinement is found to be energetically favorable for both water and methane, leading to their spontaneous filling inside CNT(6,6). For both the systems, the free energy of transfer from bulk to CNT confinement is favored bymore » the increased entropy (TΔS), i.e., increased translational entropy and increased rotational entropy, which were found to be sufficiently high to conquer the unfavorable increase in enthalpy (ΔE) when they are transferred inside CNT. To the best of our knowledge, this is the first time when it has been established that the increase in translational entropy during confinement in CNT(6,6) is not unique to water-like H bonding fluid but is also observed in case of nonpolar fluids such as methane. The thermodynamic results are explained in terms of density, structural rigidity, and transport of fluid molecules inside CNT. The faster diffusion of methane over water in bulk phase is found to be reversed during the confinement in CNT(6,6). Studies reveal that though hydrogen bonding plays an important role in transport of water through CNT, but it is not the solitary driving factor, as the nonpolar fluids, which do not have any hydrogen bond formation capacity can go inside CNT and also can flow through it. The associated driving force for filling and transport of water and methane is enhanced translational and rotational entropies, which are attributed mainly by the strong correlation between confined fluid molecules and availability of more free space for rotation of molecule, i.e., lower density of fluid inside CNT due to their single file-like arrangement. To the best of our information, this is perhaps the first study of nonpolar fluid within CNT using 2PT method. Furthermore, the fast flow of polar fluid (water) over nonpolar fluid (methane) has been captured for the first time using molecular dynamic simulations.« less

A diameter-sensitive flow entropy method for reliability consideration in water distribution system design

NASA Astrophysics Data System (ADS)

Liu, Haixing; Savić, Dragan; Kapelan, Zoran; Zhao, Ming; Yuan, Yixing; Zhao, Hongbin

2014-07-01

Flow entropy is a measure of uniformity of pipe flows in water distribution systems. By maximizing flow entropy one can identify reliable layouts or connectivity in networks. In order to overcome the disadvantage of the common definition of flow entropy that does not consider the impact of pipe diameter on reliability, an extended definition of flow entropy, termed as diameter-sensitive flow entropy, is proposed. This new methodology is then assessed by using other reliability methods, including Monte Carlo Simulation, a pipe failure probability model, and a surrogate measure (resilience index) integrated with water demand and pipe failure uncertainty. The reliability assessment is based on a sample of WDS designs derived from an optimization process for each of the two benchmark networks. Correlation analysis is used to evaluate quantitatively the relationship between entropy and reliability. To ensure reliability, a comparative analysis between the flow entropy and the new method is conducted. The results demonstrate that the diameter-sensitive flow entropy shows consistently much stronger correlation with the three reliability measures than simple flow entropy. Therefore, the new flow entropy method can be taken as a better surrogate measure for reliability and could be potentially integrated into the optimal design problem of WDSs. Sensitivity analysis results show that the velocity parameters used in the new flow entropy has no significant impact on the relationship between diameter-sensitive flow entropy and reliability.

Entropy generation of nanofluid flow in a microchannel heat sink

NASA Astrophysics Data System (ADS)

Manay, Eyuphan; Akyürek, Eda Feyza; Sahin, Bayram

2018-06-01

Present study aims to investigate the effects of the presence of nano sized TiO2 particles in the base fluid on entropy generation rate in a microchannel heat sink. Pure water was chosen as base fluid, and TiO2 particles were suspended into the pure water in five different particle volume fractions of 0.25%, 0.5%, 1.0%, 1.5% and 2.0%. Under laminar, steady state flow and constant heat flux boundary conditions, thermal, frictional, total entropy generation rates and entropy generation number ratios of nanofluids were experimentally analyzed in microchannel flow for different channel heights of 200 μm, 300 μm, 400 μm and 500 μm. It was observed that frictional and total entropy generation rates increased as thermal entropy generation rate were decreasing with an increase in particle volume fraction. In microchannel flows, thermal entropy generation could be neglected due to its too low rate smaller than 1.10e-07 in total entropy generation. Higher channel heights caused higher thermal entropy generation rates, and increasing channel height yielded an increase from 30% to 52% in thermal entropy generation. When channel height decreased, an increase of 66%-98% in frictional entropy generation was obtained. Adding TiO2 nanoparticles into the base fluid caused thermal entropy generation to decrease about 1.8%-32.4%, frictional entropy generation to increase about 3.3%-21.6%.

Entropy and entropy production in Fokker–Plank equation under the generalized fluctuation–dissipation relation

NASA Astrophysics Data System (ADS)

Guo, Ran

2018-04-01

In this paper, we investigate the definition of the entropy in the Fokker–Planck equation under the generalized fluctuation–dissipation relation (FDR), which describes a Brownian particle moving in a complex medium with friction and multiplicative noise. The friction and the noise are related by the generalized FDR. The entropy for such a system is defined first. According to the definition of the entropy, we calculate the entropy production and the entropy flux. Lastly, we make a numerical calculation to display the results in figures.

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

PubMed

Sasikala, Wilbee D; Mukherjee, Arnab

2014-09-11

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

RNA Thermodynamic Structural Entropy

PubMed Central

Garcia-Martin, Juan Antonio; Clote, Peter

2015-01-01

Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe the first two accurate and efficient algorithms to compute the conformational entropy for RNA secondary structures, with respect to the Turner energy model, where free energy parameters are determined from UV absorption experiments. An algorithm to compute the derivational entropy for RNA secondary structures had previously been introduced, using stochastic context free grammars (SCFGs). However, the numerical value of derivational entropy depends heavily on the chosen context free grammar and on the training set used to estimate rule probabilities. Using data from the Rfam database, we determine that both of our thermodynamic methods, which agree in numerical value, are substantially faster than the SCFG method. Thermodynamic structural entropy is much smaller than derivational entropy, and the correlation between length-normalized thermodynamic entropy and derivational entropy is moderately weak to poor. In applications, we plot the structural entropy as a function of temperature for known thermoswitches, such as the repression of heat shock gene expression (ROSE) element, we determine that the correlation between hammerhead ribozyme cleavage activity and total free energy is improved by including an additional free energy term arising from conformational entropy, and we plot the structural entropy of windows of the HIV-1 genome. Our software RNAentropy can compute structural entropy for any user-specified temperature, and supports both the Turner’99 and Turner’04 energy parameters. It follows that RNAentropy is state-of-the-art software to compute RNA secondary structure conformational entropy. Source code is available at https://github.com/clotelab/RNAentropy/; a full web server is available at http://bioinformatics.bc.edu/clotelab/RNAentropy, including source code and ancillary programs. PMID:26555444

RNA Thermodynamic Structural Entropy.

PubMed

Garcia-Martin, Juan Antonio; Clote, Peter

2015-01-01

Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe the first two accurate and efficient algorithms to compute the conformational entropy for RNA secondary structures, with respect to the Turner energy model, where free energy parameters are determined from UV absorption experiments. An algorithm to compute the derivational entropy for RNA secondary structures had previously been introduced, using stochastic context free grammars (SCFGs). However, the numerical value of derivational entropy depends heavily on the chosen context free grammar and on the training set used to estimate rule probabilities. Using data from the Rfam database, we determine that both of our thermodynamic methods, which agree in numerical value, are substantially faster than the SCFG method. Thermodynamic structural entropy is much smaller than derivational entropy, and the correlation between length-normalized thermodynamic entropy and derivational entropy is moderately weak to poor. In applications, we plot the structural entropy as a function of temperature for known thermoswitches, such as the repression of heat shock gene expression (ROSE) element, we determine that the correlation between hammerhead ribozyme cleavage activity and total free energy is improved by including an additional free energy term arising from conformational entropy, and we plot the structural entropy of windows of the HIV-1 genome. Our software RNAentropy can compute structural entropy for any user-specified temperature, and supports both the Turner'99 and Turner'04 energy parameters. It follows that RNAentropy is state-of-the-art software to compute RNA secondary structure conformational entropy. Source code is available at https://github.com/clotelab/RNAentropy/; a full web server is available at http://bioinformatics.bc.edu/clotelab/RNAentropy, including source code and ancillary programs.

Relating different quantum generalizations of the conditional Rényi entropy

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

Tomamichel, Marco; School of Physics, The University of Sydney, Sydney 2006; Berta, Mario

2014-08-15

Recently a new quantum generalization of the Rényi divergence and the corresponding conditional Rényi entropies was proposed. Here, we report on a surprising relation between conditional Rényi entropies based on this new generalization and conditional Rényi entropies based on the quantum relative Rényi entropy that was used in previous literature. Our result generalizes the well-known duality relation H(A|B) + H(A|C) = 0 of the conditional von Neumann entropy for tripartite pure states to Rényi entropies of two different kinds. As a direct application, we prove a collection of inequalities that relate different conditional Rényi entropies and derive a new entropicmore » uncertainty relation.« less

Exact analytical thermodynamic expressions for a Brownian heat engine

NASA Astrophysics Data System (ADS)

Taye, Mesfin Asfaw

2015-09-01

The nonequilibrium thermodynamics feature of a Brownian motor operating between two different heat baths is explored as a function of time t . Using the Gibbs entropy and Schnakenberg microscopic stochastic approach, we find exact closed form expressions for the free energy, the rate of entropy production, and the rate of entropy flow from the system to the outside. We show that when the system is out of equilibrium, it constantly produces entropy and at the same time extracts entropy out of the system. Its entropy production and extraction rates decrease in time and saturate to a constant value. In the long time limit, the rate of entropy production balances the rate of entropy extraction, and at equilibrium both entropy production and extraction rates become zero. Furthermore, via the present model, many thermodynamic theories can be checked.

Exact analytical thermodynamic expressions for a Brownian heat engine.

PubMed

Taye, Mesfin Asfaw

2015-09-01

The nonequilibrium thermodynamics feature of a Brownian motor operating between two different heat baths is explored as a function of time t. Using the Gibbs entropy and Schnakenberg microscopic stochastic approach, we find exact closed form expressions for the free energy, the rate of entropy production, and the rate of entropy flow from the system to the outside. We show that when the system is out of equilibrium, it constantly produces entropy and at the same time extracts entropy out of the system. Its entropy production and extraction rates decrease in time and saturate to a constant value. In the long time limit, the rate of entropy production balances the rate of entropy extraction, and at equilibrium both entropy production and extraction rates become zero. Furthermore, via the present model, many thermodynamic theories can be checked.

Modeling the Overalternating Bias with an Asymmetric Entropy Measure

PubMed Central

Gronchi, Giorgio; Raglianti, Marco; Noventa, Stefano; Lazzeri, Alessandro; Guazzini, Andrea

2016-01-01

Psychological research has found that human perception of randomness is biased. In particular, people consistently show the overalternating bias: they rate binary sequences of symbols (such as Heads and Tails in coin flipping) with an excess of alternation as more random than prescribed by the normative criteria of Shannon's entropy. Within data mining for medical applications, Marcellin proposed an asymmetric measure of entropy that can be ideal to account for such bias and to quantify subjective randomness. We fitted Marcellin's entropy and Renyi's entropy (a generalized form of uncertainty measure comprising many different kinds of entropies) to experimental data found in the literature with the Differential Evolution algorithm. We observed a better fit for Marcellin's entropy compared to Renyi's entropy. The fitted asymmetric entropy measure also showed good predictive properties when applied to different datasets of randomness-related tasks. We concluded that Marcellin's entropy can be a parsimonious and effective measure of subjective randomness that can be useful in psychological research about randomness perception. PMID:27458418

Entropy for the Complexity of Physiological Signal Dynamics.

PubMed

Zhang, Xiaohua Douglas

2017-01-01

Recently, the rapid development of large data storage technologies, mobile network technology, and portable medical devices makes it possible to measure, record, store, and track analysis of biological dynamics. Portable noninvasive medical devices are crucial to capture individual characteristics of biological dynamics. The wearable noninvasive medical devices and the analysis/management of related digital medical data will revolutionize the management and treatment of diseases, subsequently resulting in the establishment of a new healthcare system. One of the key features that can be extracted from the data obtained by wearable noninvasive medical device is the complexity of physiological signals, which can be represented by entropy of biological dynamics contained in the physiological signals measured by these continuous monitoring medical devices. Thus, in this chapter I present the major concepts of entropy that are commonly used to measure the complexity of biological dynamics. The concepts include Shannon entropy, Kolmogorov entropy, Renyi entropy, approximate entropy, sample entropy, and multiscale entropy. I also demonstrate an example of using entropy for the complexity of glucose dynamics.

Information Entropy Analysis of the H1N1 Genetic Code

NASA Astrophysics Data System (ADS)

Martwick, Andy

2010-03-01

During the current H1N1 pandemic, viral samples are being obtained from large numbers of infected people world-wide and are being sequenced on the NCBI Influenza Virus Resource Database. The information entropy of the sequences was computed from the probability of occurrence of each nucleotide base at every position of each set of sequences using Shannon's definition of information entropy, [ H=∑bpb,2( 1pb ) ] where H is the observed information entropy at each nucleotide position and pb is the probability of the base pair of the nucleotides A, C, G, U. Information entropy of the current H1N1 pandemic is compared to reference human and swine H1N1 entropy. As expected, the current H1N1 entropy is in a low entropy state and has a very large mutation potential. Using the entropy method in mature genes we can identify low entropy regions of nucleotides that generally correlate to critical protein function.

Generalized Entanglement Entropy and Holography

NASA Astrophysics Data System (ADS)

Obregón, O.

2018-04-01

A nonextensive statistical mechanics entropy that depends only on the probability distribution is proposed in the framework of superstatistics. It is based on a Γ(χ 2) distribution that depends on β and also on pl . The corresponding modified von Neumann entropy is constructed; it is shown that it can also be obtained from a generalized Replica trick. We address the question whether the generalized entanglement entropy can play a role in the gauge/gravity duality. We pay attention to 2dCFT and their gravity duals. The correction terms to the von Neumann entropy result more relevant than the usual UV (for c = 1) ones and also than those due to the area dependent AdS 3 entropy which result comparable to the UV ones. Then the correction terms due to the new entropy would modify the Ryu-Takayanagi identification between the CFT entanglement entropy and the AdS entropy in a different manner than the UV ones or than the corrections to the AdS 3 area dependent entropy.

Quench action and Rényi entropies in integrable systems

NASA Astrophysics Data System (ADS)

Alba, Vincenzo; Calabrese, Pasquale

2017-09-01

Entropy is a fundamental concept in equilibrium statistical mechanics, yet its origin in the nonequilibrium dynamics of isolated quantum systems is not fully understood. A strong consensus is emerging around the idea that the stationary thermodynamic entropy is the von Neumann entanglement entropy of a large subsystem embedded in an infinite system. Also motivated by cold-atom experiments, here we consider the generalization to Rényi entropies. We develop a new technique to calculate the diagonal Rényi entropy in the quench action formalism. In the spirit of the replica treatment for the entanglement entropy, the diagonal Rényi entropies are generalized free energies evaluated over a thermodynamic macrostate which depends on the Rényi index and, in particular, is not the same state describing von Neumann entropy. The technical reason for this perhaps surprising result is that the evaluation of the moments of the diagonal density matrix shifts the saddle point of the quench action. An interesting consequence is that different Rényi entropies encode information about different regions of the spectrum of the postquench Hamiltonian. Our approach provides a very simple proof of the long-standing issue that, for integrable systems, the diagonal entropy is half of the thermodynamic one and it allows us to generalize this result to the case of arbitrary Rényi entropy.

Radiative entropy generation in a gray absorbing, emitting, and scattering planar medium at radiative equilibrium

NASA Astrophysics Data System (ADS)

Sadeghi, Pegah; Safavinejad, Ali

2017-11-01

Radiative entropy generation through a gray absorbing, emitting, and scattering planar medium at radiative equilibrium with diffuse-gray walls is investigated. The radiative transfer equation and radiative entropy generation equations are solved using discrete ordinates method. Components of the radiative entropy generation are considered for two different boundary conditions: two walls are at a prescribed temperature and mixed boundary conditions, which one wall is at a prescribed temperature and the other is at a prescribed heat flux. The effect of wall emissivities, optical thickness, single scattering albedo, and anisotropic-scattering factor on the entropy generation is attentively investigated. The results reveal that entropy generation in the system mainly arises from irreversible radiative transfer at wall with lower temperature. Total entropy generation rate for the system with prescribed temperature at walls remarkably increases as wall emissivity increases; conversely, for system with mixed boundary conditions, total entropy generation rate slightly decreases. Furthermore, as the optical thickness increases, total entropy generation rate remarkably decreases for the system with prescribed temperature at walls; nevertheless, for the system with mixed boundary conditions, total entropy generation rate increases. The variation of single scattering albedo does not considerably affect total entropy generation rate. This parametric analysis demonstrates that the optical thickness and wall emissivities have a significant effect on the entropy generation in the system at radiative equilibrium. Considering the parameters affecting radiative entropy generation significantly, provides an opportunity to optimally design or increase overall performance and efficiency by applying entropy minimization techniques for the systems at radiative equilibrium.

Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme.

PubMed

Liu, Lijun; Baase, Walter A; Michael, Miya M; Matthews, Brian W

2009-09-22

Both large-to-small and nonpolar-to-polar mutations in the hydrophobic core of T4 lysozyme cause significant loss in stability. By including supplementary stabilizing mutations we constructed a variant that combines the cavity-creating substitution Leu99 --> Ala with the buried charge mutant Met102 --> Glu. Crystal structure determination confirmed that this variant has a large cavity with the side chain of Glu102 located within the cavity wall. The cavity includes a large disk-shaped region plus a bulge. The disk-like region is essentially nonpolar, similar to L99A, while the Glu102 substituent is located in the vicinity of the bulge. Three ordered water molecules bind within this part of the cavity and appear to stabilize the conformation of Glu102. Glu102 has an estimated pKa of about 5.5-6.5, suggesting that it is at least partially charged in the crystal structure. The polar ligands pyridine, phenol and aniline bind within the cavity, and crystal structures of the complexes show one or two water molecules to be retained. Nonpolar ligands of appropriate shape can also bind in the cavity and in some cases exclude all three water molecules. This disrupts the hydrogen-bond network and causes the Glu102 side chain to move away from the ligand by up to 0.8 A where it remains buried in a completely nonpolar environment. Isothermal titration calorimetry revealed that the binding of these compounds stabilizes the protein by 4-6 kcal/mol. For both polar and nonpolar ligands the binding is enthalpically driven. Large negative changes in entropy adversely balance the binding of the polar ligands, whereas entropy has little effect on the nonpolar ligand binding.

Magnetostructural transformation and magnetocaloric effect in Mn48‑x V x Ni42Sn10 ferromagnetic shape memory alloys

NASA Astrophysics Data System (ADS)

Hassan, Najam ul; Shah, Ishfaq Ahmad; Khan, Tahira; Liu, Jun; Gong, Yuanyuan; Miao, Xuefei; Xu, Feng

2018-03-01

In this work, we tuned the magnetostructural transformation and the coupled magnetocaloric properties of Mn48‑x V x Ni42Sn10 (x = 0, 1, 2, and 3) ferromagnetic shape memory alloys prepared by means of partial replacement of Mn by V. It is observed that the martensitic transformation temperatures decrease with the increase of V content. The shift of the transition temperatures to lower temperatures driven by the applied field, the metamagnetic behavior, and the thermal hysteresis indicates the first-order nature for the magnetostructural transformation. The entropy changes with a magnetic field variation of 0–5 T are 15.2, 18.8, and 24.3 {{J}}\\cdot {kg}}-1\\cdot {{{K}}}-1 for the x = 0, 1, and 2 samples, respectively. The tunable martensitic transformation temperature, enhanced field driving capacity, and large entropy change suggest that Mn48‑x V x Ni42Sn10 alloys have a potential for applications in magnetic cooling refrigeration. Project supported by the National Natural Science Foundation of China (Grant Nos. 51601092, 51571121, and 11604148), the Fundamental Research Funds for the Central Universities, China (Grant Nos. 30916011344 and 30916011345), the Fund Program for the Scientific Activities of Selected Returned Overseas Professionals in Shanxi Province, China, the Postdoctoral Science Foundation Funded Project (Grant No. 2016M591851), the Natural Science Foundation of Jiangsu Province, China (Grant Nos. BK20160833, 20160829, and 20140035), the Qing Lan Project of Jiangsu Province, the Priority Academic Program Development of Jiangsu Higher Education Institutions, and Shanxi Scholarship Council of China (Grant No. 2016-092).

Theory of Quasi-Equilibrium Nucleosynthesis and Applications to Matter Expanding from High Temperature and Density

NASA Astrophysics Data System (ADS)

Meyer, Bradley S.; Krishnan, Tracy D.; Clayton, Donald D.

1998-05-01

Our first purpose is construction of a formal theory of quasi-equilibrium. We define quasi-equilibrium, in its simplest form, as statistical equilibrium in the face of an extra constraint on the nuclear populations. We show that the extra constraint introduces a uniform translation of the chemical potentials for the heavy nuclei and derive the abundances in terms of it. We then generalize this theory to accommodate any number of constraints. For nucleosynthesis, the most important constraint occurs when the total number of heavy nuclei Yh within a system of nuclei differs from the number that would exist in nuclear statistical equilibrium (NSE) under the same conditions of density and temperature. Three situations of high relevance are (1) silicon burning, wherein the total number of nuclei exceeds but asymptotically approaches the NSE number; (2) alpha-rich freezeout expansions of high entropy, wherein Yh is less than the NSE number; and (3) expansions from high temperature of low-entropy matter, in which Yh exceeds the NSE number. These are of importance, respectively, within (1) supernova shells, (2) Type II supernova cores modestly outside the mass cut, and (3) Type Ia supernova cores in near-Chandrasekhar-mass events. Our next goal is the detailed analysis of situation (2), the high-entropy alpha-rich neutron-rich freezeout. We employ a nuclear reaction network, which we integrate, to compare the actual abundances with those obtained at the same thermal conditions by the quasi-equilibrium (QSE) theory and by the NSE theory. For this detailed comparison, we choose a high-entropy photon-to-nucleon ratio φ = 6.8, for which we conduct expansions at initial bulk neutron excess η0 = 0.10. We demonstrate that the abundance populations, as they begin expansion and cooling from temperature 10 × 109 K, are characterized by three distinct phases: (1) NSE, (2) QSE having Yh smaller than the NSE value, and (3) final reaction rate-dependent freezeout modifications of the QSE. We demonstrate that the true final abundances are well approximated by the QSE distribution near the freezeout temperature T9f = 4.0. During the expansion, the QSE distribution changes shape continuously in ways that are independent of the reaction cross sections of the heavy nuclei with free light particles. It is this changing shape, rather than ``nuclear flows,'' that establish the abundance pattern. The abundance pattern is actually determined by the parameter Yh and the degree to which it differs from the NSE value owing to the slowness with which light particles can be assembled into heavy nuclei (A >= 12). We also detail the nature and magnitude of the freezeout corrections to the QSE distribution. The entire distribution depends less upon the values of heavy-element cross sections than has been heretofore thought. Our third goal is to survey the alpha-rich freezeout. We do this by less complete analysis of nine different expansions determined by the matrix of three distinct entropies (φ = 1.7, 6.8, and 17) and three distinct initial neutron excesses (η0 = 0.003, 0.10, and 0.1667). The trends are easily comprehended in terms of the concept of quasi-equilibrium, whereas they are not understandable in terms of either NSE or in terms of reaction rates. This secures for the QSE concept a major diagnostic capability within nucleosynthesis theory. We delineate the key trends and also remark on the ways that order arises from disorder in this complex system. We conclude with a discussion of how such systems assemble heavy nuclei.

Perception Shapes Experience: The Influence of Actual and Perceived Classroom Environment Dimensions on Girls' Motivations for Science

ERIC Educational Resources Information Center

Spearman, Juliette; Watt, Helen M. G.

2013-01-01

The classroom environment influences students' academic outcomes, but it is often students' perceptions that shape their classroom experiences. Our study examined the extent to which observed classroom environment features shaped perceptions of the classroom, and explained levels of, and changes in, girls' motivation in junior secondary school…

Health and Beauty Magazine Reading and Body Shape Concerns among a Group of College Women.

ERIC Educational Resources Information Center

Thomsen, Steven R.

2002-01-01

Examines three potential factors that might mediate the relationship between reading women's magazines and body shape and size concern. Finds that health and fitness magazine reading by college-aged women was linked directly to body shape concerns, indirectly through beliefs about men's thinness expectations. Explains that beauty and fashion…

High Order Entropy-Constrained Residual VQ for Lossless Compression of Images

NASA Technical Reports Server (NTRS)

Kossentini, Faouzi; Smith, Mark J. T.; Scales, Allen

1995-01-01

High order entropy coding is a powerful technique for exploiting high order statistical dependencies. However, the exponentially high complexity associated with such a method often discourages its use. In this paper, an entropy-constrained residual vector quantization method is proposed for lossless compression of images. The method consists of first quantizing the input image using a high order entropy-constrained residual vector quantizer and then coding the residual image using a first order entropy coder. The distortion measure used in the entropy-constrained optimization is essentially the first order entropy of the residual image. Experimental results show very competitive performance.

Using entropy measures to characterize human locomotion.

PubMed

Leverick, Graham; Szturm, Tony; Wu, Christine Q

2014-12-01

Entropy measures have been widely used to quantify the complexity of theoretical and experimental dynamical systems. In this paper, the value of using entropy measures to characterize human locomotion is demonstrated based on their construct validity, predictive validity in a simple model of human walking and convergent validity in an experimental study. Results show that four of the five considered entropy measures increase meaningfully with the increased probability of falling in a simple passive bipedal walker model. The same four entropy measures also experienced statistically significant increases in response to increasing age and gait impairment caused by cognitive interference in an experimental study. Of the considered entropy measures, the proposed quantized dynamical entropy (QDE) and quantization-based approximation of sample entropy (QASE) offered the best combination of sensitivity to changes in gait dynamics and computational efficiency. Based on these results, entropy appears to be a viable candidate for assessing the stability of human locomotion.

The Conditional Entropy Power Inequality for Bosonic Quantum Systems

NASA Astrophysics Data System (ADS)

De Palma, Giacomo; Trevisan, Dario

2018-06-01

We prove the conditional Entropy Power Inequality for Gaussian quantum systems. This fundamental inequality determines the minimum quantum conditional von Neumann entropy of the output of the beam-splitter or of the squeezing among all the input states where the two inputs are conditionally independent given the memory and have given quantum conditional entropies. We also prove that, for any couple of values of the quantum conditional entropies of the two inputs, the minimum of the quantum conditional entropy of the output given by the conditional Entropy Power Inequality is asymptotically achieved by a suitable sequence of quantum Gaussian input states. Our proof of the conditional Entropy Power Inequality is based on a new Stam inequality for the quantum conditional Fisher information and on the determination of the universal asymptotic behaviour of the quantum conditional entropy under the heat semigroup evolution. The beam-splitter and the squeezing are the central elements of quantum optics, and can model the attenuation, the amplification and the noise of electromagnetic signals. This conditional Entropy Power Inequality will have a strong impact in quantum information and quantum cryptography. Among its many possible applications there is the proof of a new uncertainty relation for the conditional Wehrl entropy.

Crowd macro state detection using entropy model

NASA Astrophysics Data System (ADS)

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

2015-08-01

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

The Conditional Entropy Power Inequality for Bosonic Quantum Systems

NASA Astrophysics Data System (ADS)

De Palma, Giacomo; Trevisan, Dario

2018-01-01

We prove the conditional Entropy Power Inequality for Gaussian quantum systems. This fundamental inequality determines the minimum quantum conditional von Neumann entropy of the output of the beam-splitter or of the squeezing among all the input states where the two inputs are conditionally independent given the memory and have given quantum conditional entropies. We also prove that, for any couple of values of the quantum conditional entropies of the two inputs, the minimum of the quantum conditional entropy of the output given by the conditional Entropy Power Inequality is asymptotically achieved by a suitable sequence of quantum Gaussian input states. Our proof of the conditional Entropy Power Inequality is based on a new Stam inequality for the quantum conditional Fisher information and on the determination of the universal asymptotic behaviour of the quantum conditional entropy under the heat semigroup evolution. The beam-splitter and the squeezing are the central elements of quantum optics, and can model the attenuation, the amplification and the noise of electromagnetic signals. This conditional Entropy Power Inequality will have a strong impact in quantum information and quantum cryptography. Among its many possible applications there is the proof of a new uncertainty relation for the conditional Wehrl entropy.

Bayesian Methods and Universal Darwinism

NASA Astrophysics Data System (ADS)

Campbell, John

2009-12-01

Bayesian methods since the time of Laplace have been understood by their practitioners as closely aligned to the scientific method. Indeed a recent Champion of Bayesian methods, E. T. Jaynes, titled his textbook on the subject Probability Theory: the Logic of Science. Many philosophers of science including Karl Popper and Donald Campbell have interpreted the evolution of Science as a Darwinian process consisting of a `copy with selective retention' algorithm abstracted from Darwin's theory of Natural Selection. Arguments are presented for an isomorphism between Bayesian Methods and Darwinian processes. Universal Darwinism, as the term has been developed by Richard Dawkins, Daniel Dennett and Susan Blackmore, is the collection of scientific theories which explain the creation and evolution of their subject matter as due to the Operation of Darwinian processes. These subject matters span the fields of atomic physics, chemistry, biology and the social sciences. The principle of Maximum Entropy states that Systems will evolve to states of highest entropy subject to the constraints of scientific law. This principle may be inverted to provide illumination as to the nature of scientific law. Our best cosmological theories suggest the universe contained much less complexity during the period shortly after the Big Bang than it does at present. The scientific subject matter of atomic physics, chemistry, biology and the social sciences has been created since that time. An explanation is proposed for the existence of this subject matter as due to the evolution of constraints in the form of adaptations imposed on Maximum Entropy. It is argued these adaptations were discovered and instantiated through the Operations of a succession of Darwinian processes.

Syncopation, Body-Movement and Pleasure in Groove Music

PubMed Central

Witek, Maria A. G.; Clarke, Eric F.; Wallentin, Mikkel; Kringelbach, Morten L.; Vuust, Peter

2014-01-01

Moving to music is an essential human pleasure particularly related to musical groove. Structurally, music associated with groove is often characterised by rhythmic complexity in the form of syncopation, frequently observed in musical styles such as funk, hip-hop and electronic dance music. Structural complexity has been related to positive affect in music more broadly, but the function of syncopation in eliciting pleasure and body-movement in groove is unknown. Here we report results from a web-based survey which investigated the relationship between syncopation and ratings of wanting to move and experienced pleasure. Participants heard funk drum-breaks with varying degrees of syncopation and audio entropy, and rated the extent to which the drum-breaks made them want to move and how much pleasure they experienced. While entropy was found to be a poor predictor of wanting to move and pleasure, the results showed that medium degrees of syncopation elicited the most desire to move and the most pleasure, particularly for participants who enjoy dancing to music. Hence, there is an inverted U-shaped relationship between syncopation, body-movement and pleasure, and syncopation seems to be an important structural factor in embodied and affective responses to groove. PMID:24740381

Syncopation, body-movement and pleasure in groove music.

PubMed

Witek, Maria A G; Clarke, Eric F; Wallentin, Mikkel; Kringelbach, Morten L; Vuust, Peter

2014-01-01

Moving to music is an essential human pleasure particularly related to musical groove. Structurally, music associated with groove is often characterised by rhythmic complexity in the form of syncopation, frequently observed in musical styles such as funk, hip-hop and electronic dance music. Structural complexity has been related to positive affect in music more broadly, but the function of syncopation in eliciting pleasure and body-movement in groove is unknown. Here we report results from a web-based survey which investigated the relationship between syncopation and ratings of wanting to move and experienced pleasure. Participants heard funk drum-breaks with varying degrees of syncopation and audio entropy, and rated the extent to which the drum-breaks made them want to move and how much pleasure they experienced. While entropy was found to be a poor predictor of wanting to move and pleasure, the results showed that medium degrees of syncopation elicited the most desire to move and the most pleasure, particularly for participants who enjoy dancing to music. Hence, there is an inverted U-shaped relationship between syncopation, body-movement and pleasure, and syncopation seems to be an important structural factor in embodied and affective responses to groove.

Stochastic Laplacian growth

NASA Astrophysics Data System (ADS)

Alekseev, Oleg; Mineev-Weinstein, Mark

2016-12-01

A point source on a plane constantly emits particles which rapidly diffuse and then stick to a growing cluster. The growth probability of a cluster is presented as a sum over all possible scenarios leading to the same final shape. The classical point for the action, defined as a minus logarithm of the growth probability, describes the most probable scenario and reproduces the Laplacian growth equation, which embraces numerous fundamental free boundary dynamics in nonequilibrium physics. For nonclassical scenarios we introduce virtual point sources, in which presence the action becomes the Kullback-Leibler entropy. Strikingly, this entropy is shown to be the sum of electrostatic energies of layers grown per elementary time unit. Hence the growth probability of the presented nonequilibrium process obeys the Gibbs-Boltzmann statistics, which, as a rule, is not applied out from equilibrium. Each layer's probability is expressed as a product of simple factors in an auxiliary complex plane after a properly chosen conformal map. The action at this plane is a sum of Robin functions, which solve the Liouville equation. At the end we establish connections of our theory with the τ function of the integrable Toda hierarchy and with the Liouville theory for noncritical quantum strings.

Why Income Comparison is Rational

NASA Technical Reports Server (NTRS)

Wolpert, David H.

2010-01-01

A major factor affecting a person s happiness is the gap between their income and their neighbors , independent of their own income. This effect is strongest when the neighbor has moderately higher income. In addition a person s lifetime happiness often follows a "U" shape. Previous models have explained subsets of these phenomena, typically assuming the person has limited ability to assess their own (hedonic) utility. Here I present a model that explains all the phenomena, without such assumptions. In this model greater income of your neighbor is statistical data that, if carefully analyzed, would recommend that you explore for a new income-generating strategy. This explains unhappiness that your neighbor has greater income, as an emotional "prod" that induces you to explore, in accord with careful statistical analysis. It explains the "U" shape of happiness similarly. Another benefit of this model is that it makes many falsifiable predictions.

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

PubMed

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

2014-05-13

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

Modeling Loop Entropy

PubMed Central

Chirikjian, Gregory S.

2011-01-01

Proteins fold from a highly disordered state into a highly ordered one. Traditionally, the folding problem has been stated as one of predicting ‘the’ tertiary structure from sequential information. However, new evidence suggests that the ensemble of unfolded forms may not be as disordered as once believed, and that the native form of many proteins may not be described by a single conformation, but rather an ensemble of its own. Quantifying the relative disorder in the folded and unfolded ensembles as an entropy difference may therefore shed light on the folding process. One issue that clouds discussions of ‘entropy’ is that many different kinds of entropy can be defined: entropy associated with overall translational and rotational Brownian motion, configurational entropy, vibrational entropy, conformational entropy computed in internal or Cartesian coordinates (which can even be different from each other), conformational entropy computed on a lattice; each of the above with different solvation and solvent models; thermodynamic entropy measured experimentally, etc. The focus of this work is the conformational entropy of coil/loop regions in proteins. New mathematical modeling tools for the approximation of changes in conformational entropy during transition from unfolded to folded ensembles are introduced. In particular, models for computing lower and upper bounds on entropy for polymer models of polypeptide coils both with and without end constraints are presented. The methods reviewed here include kinematics (the mathematics of rigid-body motions), classical statistical mechanics and information theory. PMID:21187223

Is thermodynamic irreversibility a consequence of the expansion of the Universe?

NASA Astrophysics Data System (ADS)

Osváth, Szabolcs

2018-02-01

This paper explains thermodynamic irreversibility by applying the expansion of the Universe to thermodynamic systems. The effect of metric expansion is immeasurably small on shorter scales than intergalactic distances. Multi-particle systems, however, are chaotic, and amplify any small disturbance exponentially. Metric expansion gives rise to time-asymmetric behaviour in thermodynamic systems in a short time (few nanoseconds in air, few ten picoseconds in water). In contrast to existing publications, this paper explains without any additional assumptions the rise of thermodynamic irreversibility from the underlying reversible mechanics of particles. Calculations for the special case which assumes FLRW metric, slow motions (v ≪ c) and approximates space locally by Euclidean space show that metric expansion causes entropy increase in isolated systems. The rise of time-asymmetry, however, is not affected by these assumptions. Any influence of the expansion of the Universe on the local metric causes a coupling between local mechanics and evolution of the Universe.

The reflection of an ionized shock wave

NASA Astrophysics Data System (ADS)

Asakura, Fumioki; Corli, Andrea

2018-03-01

In a previous paper, we studied the thermodynamic and kinetic theory for an ionized gas, in one space dimension; in this paper, we provide an application of those results to the reflection of a shock wave in an electromagnetic shock tube. Under some reasonable limitations, which fully agree with experimental data, we prove that both the incident and the reflected shock waves satisfy the Lax entropy conditions; this result holds even outside genuinely nonlinear regions, which are present in the model. We show that the temperature increases in a significant way behind the incident shock front but the degree of ionization does not undergo a similar growth. On the contrary, the degree of ionization increases substantially behind the reflected shock front. We explain these phenomena by means of the concavity of the Hugoniot loci. Therefore, our results not only fit perfectly but explain what was remarked in experiments.

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

Kunal, K.; Aluru, N. R., E-mail: aluru@illinois.edu

We investigate the effect of size on intrinsic dissipation in nano-structures. We use molecular dynamics simulation and study dissipation under two different modes of deformation: stretching and bending mode. In the case of stretching deformation (with uniform strain field), dissipation takes place due to Akhiezer mechanism. For bending deformation, in addition to the Akhiezer mechanism, the spatial temperature gradient also plays a role in the process of entropy generation. Interestingly, we find that the bending modes have a higher Q factor in comparison with the stretching deformation (under the same frequency of operation). Furthermore, with the decrease in size, themore » difference in Q factor between the bending and stretching deformation becomes more pronounced. The lower dissipation for the case of bending deformation is explained to be due to the surface scattering of phonons. A simple model, for phonon dynamics under an oscillating strain field, is considered to explain the observed variation in dissipation rate. We also studied the scaling of Q factor with initial tension, in a beam under flexure. We develop a continuum theory to explain the observed results.« less

The quantum phase-transitions of water

NASA Astrophysics Data System (ADS)

Fillaux, François

2017-08-01

It is shown that hexagonal ices and steam are macroscopically quantum condensates, with continuous spacetime-translation symmetry, whereas liquid water is a quantum fluid with broken time-translation symmetry. Fusion and vaporization are quantum phase-transitions. The heat capacities, the latent heats, the phase-transition temperatures, the critical temperature, the molar volume expansion of ice relative to water, as well as neutron scattering data and dielectric measurements are explained. The phase-transition mechanisms along with the key role of quantum interferences and that of Hartley-Shannon's entropy are enlightened. The notions of chemical bond and force-field are questioned.

What is information?†

PubMed Central

2016-01-01

Information is a precise concept that can be defined mathematically, but its relationship to what we call ‘knowledge’ is not always made clear. Furthermore, the concepts ‘entropy’ and ‘information’, while deeply related, are distinct and must be used with care, something that is not always achieved in the literature. In this elementary introduction, the concepts of entropy and information are laid out one by one, explained intuitively, but defined rigorously. I argue that a proper understanding of information in terms of prediction is key to a number of disciplines beyond engineering, such as physics and biology. PMID:26857663

Nonthermal Hawking radiation from NUT-Taub-like black hole

NASA Astrophysics Data System (ADS)

Zhao, GuoMing; Li, PengZhang

2012-04-01

Using Damour-Ruffini method, we investigate Hawking radiation from NUT-Taub-like (NT-like) black hole. Considering the total energy conservation and the back reaction of the particle to the spacetime, we get the radiation spectrum on the black hole event horizon, which is related to the change of Bekenstein-Hawking entropy. Meanwhile, we find that the radiation is not exactly thermal, and can take out information from the black hole, which can be used to explain the information loss paradox. The result that we get satisfies the unitary theory of quantum mechanics and is consistent with the work finished before.

Microstates of black holes in expanding universe from interacting branes

NASA Astrophysics Data System (ADS)

Shiba, Shotaro

2017-05-01

Thermodynamics of the near extremal black p-branes can be described by collective motions of gravitationally interacting branes. This proposal is called the p-soup model. In this paper, we check this proposal in the case of black brane system which is asymptotically Friedmann-Lemaître-Robertson-Walker universe in an infinite distance. As a result, we can show that the gravitationally interacting branes explain free energy, entropy, temperature and other physical quantities in these systems. This implies that the microstates of this kind of brane system can be also understood in the p-soup model.

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

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

Lloyd, S.

1989-05-15

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

Renyi entropy measures of heart rate Gaussianity.

PubMed

Lake, Douglas E

2006-01-01

Sample entropy and approximate entropy are measures that have been successfully utilized to study the deterministic dynamics of heart rate (HR). A complementary stochastic point of view and a heuristic argument using the Central Limit Theorem suggests that the Gaussianity of HR is a complementary measure of the physiological complexity of the underlying signal transduction processes. Renyi entropy (or q-entropy) is a widely used measure of Gaussianity in many applications. Particularly important members of this family are differential (or Shannon) entropy (q = 1) and quadratic entropy (q = 2). We introduce the concepts of differential and conditional Renyi entropy rate and, in conjunction with Burg's theorem, develop a measure of the Gaussianity of a linear random process. Robust algorithms for estimating these quantities are presented along with estimates of their standard errors.

Valence bond and von Neumann entanglement entropy in Heisenberg ladders.

PubMed

Kallin, Ann B; González, Iván; Hastings, Matthew B; Melko, Roger G

2009-09-11

We present a direct comparison of the recently proposed valence bond entanglement entropy and the von Neumann entanglement entropy on spin-1/2 Heisenberg systems using quantum Monte Carlo and density-matrix renormalization group simulations. For one-dimensional chains we show that the valence bond entropy can be either less or greater than the von Neumann entropy; hence, it cannot provide a bound on the latter. On ladder geometries, simulations with up to seven legs are sufficient to indicate that the von Neumann entropy in two dimensions obeys an area law, even though the valence bond entanglement entropy has a multiplicative logarithmic correction.

Entropy in molecular recognition by proteins

PubMed Central

Caro, José A.; Harpole, Kyle W.; Kasinath, Vignesh; Lim, Jackwee; Granja, Jeffrey; Valentine, Kathleen G.; Sharp, Kim A.

2017-01-01

Molecular recognition by proteins is fundamental to molecular biology. Dissection of the thermodynamic energy terms governing protein–ligand interactions has proven difficult, with determination of entropic contributions being particularly elusive. NMR relaxation measurements have suggested that changes in protein conformational entropy can be quantitatively obtained through a dynamical proxy, but the generality of this relationship has not been shown. Twenty-eight protein–ligand complexes are used to show a quantitative relationship between measures of fast side-chain motion and the underlying conformational entropy. We find that the contribution of conformational entropy can range from favorable to unfavorable, which demonstrates the potential of this thermodynamic variable to modulate protein–ligand interactions. For about one-quarter of these complexes, the absence of conformational entropy would render the resulting affinity biologically meaningless. The dynamical proxy for conformational entropy or “entropy meter” also allows for refinement of the contributions of solvent entropy and the loss in rotational-translational entropy accompanying formation of high-affinity complexes. Furthermore, structure-based application of the approach can also provide insight into long-lived specific water–protein interactions that escape the generic treatments of solvent entropy based simply on changes in accessible surface area. These results provide a comprehensive and unified view of the general role of entropy in high-affinity molecular recognition by proteins. PMID:28584100

Statistical mechanical theory of liquid entropy

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

Wallace, D.C.

The multiparticle correlation expansion for the entropy of a classical monatomic liquid is presented. This entropy expresses the physical picture in which there is no free particle motion, but rather, each atom moves within a cage formed by its neighbors. The liquid expansion, including only pair correlations, gives an excellent account of the experimental entropy of most liquid metals, of liquid argon, and the hard sphere liquid. The pair correlation entropy is well approximated by a universal function of temperature. Higher order correlation entropy, due to n-particle irreducible correlations for n{ge}3, is significant in only a few liquid metals, andmore » its occurrence suggests the presence of n-body forces. When the liquid theory is applied to the study of melting, the author discovers the important classification of normal and anomalous melting, according to whether there is not or is a significant change in the electronic structure upon melting, and he discovers the universal disordering entropy for melting of a monatomic crystal. Interesting directions for future research are: extension to include orientational correlations of molecules, theoretical calculation of the entropy of water, application to the entropy of the amorphous state, and correlational entropy of compressed argon. The author clarifies the relation among different entropy expansions in the recent literature.« less

Characterization of time series via Rényi complexity-entropy curves

NASA Astrophysics Data System (ADS)

Jauregui, M.; Zunino, L.; Lenzi, E. K.; Mendes, R. S.; Ribeiro, H. V.

2018-05-01

One of the most useful tools for distinguishing between chaotic and stochastic time series is the so-called complexity-entropy causality plane. This diagram involves two complexity measures: the Shannon entropy and the statistical complexity. Recently, this idea has been generalized by considering the Tsallis monoparametric generalization of the Shannon entropy, yielding complexity-entropy curves. These curves have proven to enhance the discrimination among different time series related to stochastic and chaotic processes of numerical and experimental nature. Here we further explore these complexity-entropy curves in the context of the Rényi entropy, which is another monoparametric generalization of the Shannon entropy. By combining the Rényi entropy with the proper generalization of the statistical complexity, we associate a parametric curve (the Rényi complexity-entropy curve) with a given time series. We explore this approach in a series of numerical and experimental applications, demonstrating the usefulness of this new technique for time series analysis. We show that the Rényi complexity-entropy curves enable the differentiation among time series of chaotic, stochastic, and periodic nature. In particular, time series of stochastic nature are associated with curves displaying positive curvature in a neighborhood of their initial points, whereas curves related to chaotic phenomena have a negative curvature; finally, periodic time series are represented by vertical straight lines.

Beyond the Shannon–Khinchin formulation: The composability axiom and the universal-group entropy

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

Tempesta, Piergiulio, E-mail: p.tempesta@fis.ucm.es

2016-02-15

The notion of entropy is ubiquitous both in natural and social sciences. In the last two decades, a considerable effort has been devoted to the study of new entropic forms, which generalize the standard Boltzmann–Gibbs (BG) entropy and could be applicable in thermodynamics, quantum mechanics and information theory. In Khinchin (1957), by extending previous ideas of Shannon (1948) and Shannon and Weaver (1949), Khinchin proposed a characterization of the BG entropy, based on four requirements, nowadays known as the Shannon–Khinchin (SK) axioms. The purpose of this paper is twofold. First, we show that there exists an intrinsic group-theoretical structure behindmore » the notion of entropy. It comes from the requirement of composability of an entropy with respect to the union of two statistically independent systems, that we propose in an axiomatic formulation. Second, we show that there exists a simple universal family of trace-form entropies. This class contains many well known examples of entropies and infinitely many new ones, a priori multi-parametric. Due to its specific relation with Lazard’s universal formal group of algebraic topology, the new general entropy introduced in this work will be called the universal-group entropy. A new example of multi-parametric entropy is explicitly constructed.« less

Formal groups and Z-entropies

PubMed Central

2016-01-01

We shall prove that the celebrated Rényi entropy is the first example of a new family of infinitely many multi-parametric entropies. We shall call them the Z-entropies. Each of them, under suitable hypotheses, generalizes the celebrated entropies of Boltzmann and Rényi. A crucial aspect is that every Z-entropy is composable (Tempesta 2016 Ann. Phys. 365, 180–197. (doi:10.1016/j.aop.2015.08.013)). This property means that the entropy of a system which is composed of two or more independent systems depends, in all the associated probability space, on the choice of the two systems only. Further properties are also required to describe the composition process in terms of a group law. The composability axiom, introduced as a generalization of the fourth Shannon–Khinchin axiom (postulating additivity), is a highly non-trivial requirement. Indeed, in the trace-form class, the Boltzmann entropy and Tsallis entropy are the only known composable cases. However, in the non-trace form class, the Z-entropies arise as new entropic functions possessing the mathematical properties necessary for information-theoretical applications, in both classical and quantum contexts. From a mathematical point of view, composability is intimately related to formal group theory of algebraic topology. The underlying group-theoretical structure determines crucially the statistical properties of the corresponding entropies. PMID:27956871

Entropy in molecular recognition by proteins.

PubMed

Caro, José A; Harpole, Kyle W; Kasinath, Vignesh; Lim, Jackwee; Granja, Jeffrey; Valentine, Kathleen G; Sharp, Kim A; Wand, A Joshua

2017-06-20

Molecular recognition by proteins is fundamental to molecular biology. Dissection of the thermodynamic energy terms governing protein-ligand interactions has proven difficult, with determination of entropic contributions being particularly elusive. NMR relaxation measurements have suggested that changes in protein conformational entropy can be quantitatively obtained through a dynamical proxy, but the generality of this relationship has not been shown. Twenty-eight protein-ligand complexes are used to show a quantitative relationship between measures of fast side-chain motion and the underlying conformational entropy. We find that the contribution of conformational entropy can range from favorable to unfavorable, which demonstrates the potential of this thermodynamic variable to modulate protein-ligand interactions. For about one-quarter of these complexes, the absence of conformational entropy would render the resulting affinity biologically meaningless. The dynamical proxy for conformational entropy or "entropy meter" also allows for refinement of the contributions of solvent entropy and the loss in rotational-translational entropy accompanying formation of high-affinity complexes. Furthermore, structure-based application of the approach can also provide insight into long-lived specific water-protein interactions that escape the generic treatments of solvent entropy based simply on changes in accessible surface area. These results provide a comprehensive and unified view of the general role of entropy in high-affinity molecular recognition by proteins.

New classes of Lorenz curves by maximizing Tsallis entropy under mean and Gini equality and inequality constraints

NASA Astrophysics Data System (ADS)

Preda, Vasile; Dedu, Silvia; Gheorghe, Carmen

2015-10-01

In this paper, by using the entropy maximization principle with Tsallis entropy, new distribution families for modeling the income distribution are derived. Also, new classes of Lorenz curves are obtained by applying the entropy maximization principle with Tsallis entropy, under mean and Gini index equality and inequality constraints.

Entropy change of biological dynamics in COPD.

PubMed

Jin, Yu; Chen, Chang; Cao, Zhixin; Sun, Baoqing; Lo, Iek Long; Liu, Tzu-Ming; Zheng, Jun; Sun, Shixue; Shi, Yan; Zhang, Xiaohua Douglas

2017-01-01

In this century, the rapid development of large data storage technologies, mobile network technology, and portable medical devices makes it possible to measure, record, store, and track analysis of large amount of data in human physiological signals. Entropy is a key metric for quantifying the irregularity contained in physiological signals. In this review, we focus on how entropy changes in various physiological signals in COPD. Our review concludes that the entropy change relies on the types of physiological signals under investigation. For major physiological signals related to respiratory diseases, such as airflow, heart rate variability, and gait variability, the entropy of a patient with COPD is lower than that of a healthy person. However, in case of hormone secretion and respiratory sound, the entropy of a patient is higher than that of a healthy person. For mechanomyogram signal, the entropy increases with the increased severity of COPD. This result should give valuable guidance for the use of entropy for physiological signals measured by wearable medical device as well as for further research on entropy in COPD.

Visualizing Entropy

NASA Astrophysics Data System (ADS)

Lechner, Joseph H.

1999-10-01

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

Backward transfer entropy: Informational measure for detecting hidden Markov models and its interpretations in thermodynamics, gambling and causality

PubMed Central

Ito, Sosuke

2016-01-01

The transfer entropy is a well-established measure of information flow, which quantifies directed influence between two stochastic time series and has been shown to be useful in a variety fields of science. Here we introduce the transfer entropy of the backward time series called the backward transfer entropy, and show that the backward transfer entropy quantifies how far it is from dynamics to a hidden Markov model. Furthermore, we discuss physical interpretations of the backward transfer entropy in completely different settings of thermodynamics for information processing and the gambling with side information. In both settings of thermodynamics and the gambling, the backward transfer entropy characterizes a possible loss of some benefit, where the conventional transfer entropy characterizes a possible benefit. Our result implies the deep connection between thermodynamics and the gambling in the presence of information flow, and that the backward transfer entropy would be useful as a novel measure of information flow in nonequilibrium thermodynamics, biochemical sciences, economics and statistics. PMID:27833120

Backward transfer entropy: Informational measure for detecting hidden Markov models and its interpretations in thermodynamics, gambling and causality

NASA Astrophysics Data System (ADS)

Ito, Sosuke

2016-11-01

The transfer entropy is a well-established measure of information flow, which quantifies directed influence between two stochastic time series and has been shown to be useful in a variety fields of science. Here we introduce the transfer entropy of the backward time series called the backward transfer entropy, and show that the backward transfer entropy quantifies how far it is from dynamics to a hidden Markov model. Furthermore, we discuss physical interpretations of the backward transfer entropy in completely different settings of thermodynamics for information processing and the gambling with side information. In both settings of thermodynamics and the gambling, the backward transfer entropy characterizes a possible loss of some benefit, where the conventional transfer entropy characterizes a possible benefit. Our result implies the deep connection between thermodynamics and the gambling in the presence of information flow, and that the backward transfer entropy would be useful as a novel measure of information flow in nonequilibrium thermodynamics, biochemical sciences, economics and statistics.

Wavelet entropy characterization of elevated intracranial pressure.

PubMed

Xu, Peng; Scalzo, Fabien; Bergsneider, Marvin; Vespa, Paul; Chad, Miller; Hu, Xiao

2008-01-01

Intracranial Hypertension (ICH) often occurs for those patients with traumatic brain injury (TBI), stroke, tumor, etc. Pathology of ICH is still controversial. In this work, we used wavelet entropy and relative wavelet entropy to study the difference existed between normal and hypertension states of ICP for the first time. The wavelet entropy revealed the similar findings as the approximation entropy that entropy during ICH state is smaller than that in normal state. Moreover, with wavelet entropy, we can see that ICH state has the more focused energy in the low wavelet frequency band (0-3.1 Hz) than the normal state. The relative wavelet entropy shows that the energy distribution in the wavelet bands between these two states is actually different. Based on these results, we suggest that ICH may be formed by the re-allocation of oscillation energy within brain.

Sonic-boom minimization.

NASA Technical Reports Server (NTRS)

Seebass, R.; George, A. R.

1972-01-01

There have been many attempts to reduce or eliminate the sonic boom. Such attempts fall into two categories: (1) aerodynamic minimization and (2) exotic configurations. In the first category changes in the entropy and the Bernoulli constant are neglected and equivalent body shapes required to minimize the overpressure, the shock pressure rise and the impulse are deduced. These results include the beneficial effects of atmospheric stratification. In the second category, the effective length of the aircraft is increased or its base area decreased by modifying the Bernoulli constant a significant fraction of the flow past the aircraft. A figure of merit is introduced which makes it possible to judge the effectiveness of the latter schemes.

Large tensile superelasticity from intermartensitic transformations in Ni49Mn28Ga23 single crystal

NASA Astrophysics Data System (ADS)

Chernenko, V. A.; Villa, E.; Salazar, D.; Barandiaran, J. M.

2016-02-01

A multistep superelastic behavior, with up to a 12% strain, is reported in a <001>P-oriented Ni49Mn28Ga23 single crystal. The observed behavior is produced by intermartensitic transformations during the tensile stress-strain measurements at temperatures between -140 °C and +60 °C. The tensile stress-temperature phase diagram and the stress dependence of the intermartensitic transformation entropies have been obtained. These results provide important input for theoretical modeling of the phase transformations in these alloys and show promising mechanical properties of the classical Ni-Mn-Ga ferromagnetic shape memory alloys.

Generic isolated horizons in loop quantum gravity

NASA Astrophysics Data System (ADS)

Beetle, Christopher; Engle, Jonathan

2010-12-01

Isolated horizons model equilibrium states of classical black holes. A detailed quantization, starting from a classical phase space restricted to spherically symmetric horizons, exists in the literature and has since been extended to axisymmetry. This paper extends the quantum theory to horizons of arbitrary shape. Surprisingly, the Hilbert space obtained by quantizing the full phase space of all generic horizons with a fixed area is identical to that originally found in spherical symmetry. The entropy of a large horizon remains one-quarter its area, with the Barbero-Immirzi parameter retaining its value from symmetric analyses. These results suggest a reinterpretation of the intrinsic quantum geometry of the horizon surface.

The old and new faces of morphology: the legacy of D'Arcy Thompson's 'theory of transformations' and 'laws of growth'.

PubMed

Abzhanov, Arhat

2017-12-01

In 1917, the publication of On Growth and Form by D'Arcy Wentworth Thompson challenged both mathematicians and naturalists to think about biological shapes and diversity as more than a confusion of chaotic forms generated at random, but rather as geometric shapes that could be described by principles of physics and mathematics. Thompson's work was based on the ideas of Galileo and Goethe on morphology and of Russell on functionalism, but he was first to postulate that physical forces and internal growth parameters regulate biological forms and could be revealed via geometric transformations in morphological space. Such precise mathematical structure suggested a unifying generative process, as reflected in the title of the book. To Thompson it was growth that could explain the generation of any particular biological form, and changes in ontogeny, rather than natural selection, could then explain the diversity of biological shapes. Whereas adaptationism, widely accepted in evolutionary biology, gives primacy to extrinsic factors in producing morphological variation, Thompson's 'laws of growth' provide intrinsic directives and constraints for the generation of individual shapes, helping to explain the 'profusion of forms, colours, and other modifications' observed in the living world. © 2017. Published by The Company of Biologists Ltd.

Shape Selectivity of Middle Superior Temporal Sulcus Body Patch Neurons

PubMed Central

2017-01-01

Abstract Functional MRI studies in primates have demonstrated cortical regions that are strongly activated by visual images of bodies. The presence of such body patches in macaques allows characterization of the stimulus selectivity of their single neurons. Middle superior temporal sulcus body (MSB) patch neurons showed similar stimulus selectivity for natural, shaded, and textured images compared with their silhouettes, suggesting that shape is an important determinant of MSB responses. Here, we examined and modeled the shape selectivity of single MSB neurons. We measured the responses of single MSB neurons to a variety of shapes producing a wide range of responses. We used an adaptive stimulus sampling procedure, selecting and modifying shapes based on the responses of the neuron. Forty percent of shapes that produced the maximal response were rated by humans as animal-like, but the top shape of many MSB neurons was not judged as resembling a body. We fitted the shape selectivity of MSB neurons with a model that parameterizes shapes in terms of curvature and orientation of contour segments, with a pixel-based model, and with layers of units of convolutional neural networks (CNNs). The deep convolutional layers of CNNs provided the best goodness-of-fit, with a median explained explainable variance of the neurons’ responses of 77%. The goodness-of-fit increased along the convolutional layers’ hierarchy but was lower for the fully connected layers. Together with demonstrating the successful modeling of single unit shape selectivity with deep CNNs, the data suggest that semantic or category knowledge determines only slightly the single MSB neuron’s shape selectivity. PMID:28660250

Visualization of RNA structure models within the Integrative Genomics Viewer.

PubMed

Busan, Steven; Weeks, Kevin M

2017-07-01

Analyses of the interrelationships between RNA structure and function are increasingly important components of genomic studies. The SHAPE-MaP strategy enables accurate RNA structure probing and realistic structure modeling of kilobase-length noncoding RNAs and mRNAs. Existing tools for visualizing RNA structure models are not suitable for efficient analysis of long, structurally heterogeneous RNAs. In addition, structure models are often advantageously interpreted in the context of other experimental data and gene annotation information, for which few tools currently exist. We have developed a module within the widely used and well supported open-source Integrative Genomics Viewer (IGV) that allows visualization of SHAPE and other chemical probing data, including raw reactivities, data-driven structural entropies, and data-constrained base-pair secondary structure models, in context with linear genomic data tracks. We illustrate the usefulness of visualizing RNA structure in the IGV by exploring structure models for a large viral RNA genome, comparing bacterial mRNA structure in cells with its structure under cell- and protein-free conditions, and comparing a noncoding RNA structure modeled using SHAPE data with a base-pairing model inferred through sequence covariation analysis. © 2017 Busan and Weeks; Published by Cold Spring Harbor Laboratory Press for the RNA Society.

New Approach for Studying Slow Fragmentation Kinetics in FT-ICR: Surface-Induced Dissociation Combined with Resonant Ejection

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

Laskin, Julia; Futrell, Jean H.

2015-02-01

We introduce a new approach for studying the kinetics of large ion fragmentation in the gas phase by coupling surface-induced dissociation (SID) in a Fourier transform ion cyclotron resonance mass spectrometer with resonant ejection of selected fragment ions using a relatively short (5 ms) ejection pulse. The approach is demonstrated for singly protonated angiotensin III ions excited by collisions with a self-assembled monolayer of alkylthiol on gold (HSAM). The overall decomposition rate and rate constants of individual reaction channels are controlled by varying the kinetic energy of the precursor ion in a range of 65–95 eV. The kinetics of peptidemore » fragmentation are probed by varying the delay time between resonant ejection and fragment ion detection at a constant total reaction time. RRKM modeling indicates that the shape of the kinetics plots is strongly affected by the shape and position of the energy deposition function (EDF) describing the internal energy distribution of the ion following ion-surface collision. Modeling of the kinetics data provides detailed information on the shape of the EDF and energy and entropy effects of individual reaction channels.« less

The second law of thermodynamics under unitary evolution and external operations

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

Ikeda, Tatsuhiko N., E-mail: ikeda@cat.phys.s.u-tokyo.ac.jp; Physics Department, Boston University, Boston, MA 02215; Sakumichi, Naoyuki

The von Neumann entropy cannot represent the thermodynamic entropy of equilibrium pure states in isolated quantum systems. The diagonal entropy, which is the Shannon entropy in the energy eigenbasis at each instant of time, is a natural generalization of the von Neumann entropy and applicable to equilibrium pure states. We show that the diagonal entropy is consistent with the second law of thermodynamics upon arbitrary external unitary operations. In terms of the diagonal entropy, thermodynamic irreversibility follows from the facts that quantum trajectories under unitary evolution are restricted by the Hamiltonian dynamics and that the external operation is performed withoutmore » reference to the microscopic state of the system.« less

Nonadditive entropies yield probability distributions with biases not warranted by the data.

PubMed

Pressé, Steve; Ghosh, Kingshuk; Lee, Julian; Dill, Ken A

2013-11-01

Different quantities that go by the name of entropy are used in variational principles to infer probability distributions from limited data. Shore and Johnson showed that maximizing the Boltzmann-Gibbs form of the entropy ensures that probability distributions inferred satisfy the multiplication rule of probability for independent events in the absence of data coupling such events. Other types of entropies that violate the Shore and Johnson axioms, including nonadditive entropies such as the Tsallis entropy, violate this basic consistency requirement. Here we use the axiomatic framework of Shore and Johnson to show how such nonadditive entropy functions generate biases in probability distributions that are not warranted by the underlying data.

On determining absolute entropy without quantum theory or the third law of thermodynamics

NASA Astrophysics Data System (ADS)

Steane, Andrew M.

2016-04-01

We employ classical thermodynamics to gain information about absolute entropy, without recourse to statistical methods, quantum mechanics or the third law of thermodynamics. The Gibbs-Duhem equation yields various simple methods to determine the absolute entropy of a fluid. We also study the entropy of an ideal gas and the ionization of a plasma in thermal equilibrium. A single measurement of the degree of ionization can be used to determine an unknown constant in the entropy equation, and thus determine the absolute entropy of a gas. It follows from all these examples that the value of entropy at absolute zero temperature does not need to be assigned by postulate, but can be deduced empirically.

Atomic Bose-Hubbard Systems with Single-Particle Control

NASA Astrophysics Data System (ADS)

Preiss, Philipp Moritz

Experiments with ultracold atoms in optical lattices provide outstanding opportunities to realize exotic quantum states due to a high degree of tunability and control. In this thesis, I present experiments that extend this control from global parameters to the level of individual particles. Using a quantum gas microscope for 87Rb, we have developed a single-site addressing scheme based on digital amplitude holograms. The system self-corrects for aberrations in the imaging setup and creates arbitrary beam profiles. We are thus able to shape optical potentials on the scale of single lattice sites and control the dynamics of individual atoms. We study the role of quantum statistics and interactions in the Bose-Hubbard model on the fundamental level of two particles. Bosonic quantum statistics are apparent in the Hong-Ou-Mandel interference of massive particles, which we observe in tailored double-well potentials. These underlying statistics, in combination with tunable repulsive interactions, dominate the dynamics in single- and two-particle quantum walks. We observe highly coherent position-space Bloch oscillations, bosonic bunching in Hanbury Brown-Twiss interference and the fermionization of strongly interacting bosons. Many-body states of indistinguishable quantum particles are characterized by large-scale spatial entanglement, which is difficult to detect in itinerant systems. Here, we extend the concept of Hong-Ou-Mandel interference from individual particles to many-body states to directly quantify entanglement entropy. We perform collective measurements on two copies of a quantum state and detect entanglement entropy through many-body interference. We measure the second order Renyi entropy in small Bose-Hubbard systems and detect the buildup of spatial entanglement across the superfluid-insulator transition. Our experiments open new opportunities for the single-particle-resolved preparation and characterization of many-body quantum states.

Nonextensive Entropy Approach to Space Plasma Fluctuations and Turbulence

NASA Astrophysics Data System (ADS)

Leubner, M. P.; Vörös, Z.; Baumjohann, W.

Spatial intermittency in fully developed turbulence is an established feature of astrophysical plasma fluctuations and in particular apparent in the interplanetary medium by in situ observations. In this situation, the classical Boltzmann— Gibbs extensive thermo-statistics, applicable when microscopic interactions and memory are short ranged and the environment is a continuous and differentiable manifold, fails. Upon generalization of the entropy function to nonextensivity, accounting for long-range interactions and thus for correlations in the system, it is demonstrated that the corresponding probability distribution functions (PDFs) are members of a family of specific power-law distributions. In particular, the resulting theoretical bi-κ functional reproduces accurately the observed global leptokurtic, non-Gaussian shape of the increment PDFs of characteristic solar wind variables on all scales, where nonlocality in turbulence is controlled via a multiscale coupling parameter. Gradual decoupling is obtained by enhancing the spatial separation scale corresponding to increasing κ-values in case of slow solar wind conditions where a Gaussian is approached in the limit of large scales. Contrary, the scaling properties in the high speed solar wind are predominantly governed by the mean energy or variance of the distribution, appearing as second parameter in the theory. The PDFs of solar wind scalar field differences are computed from WIND and ACE data for different time-lags and bulk speeds and analyzed within the nonextensive theory, where also a particular nonlinear dependence of the coupling parameter and variance with scale arises for best fitting theoretical PDFs. Consequently, nonlocality in fluctuations, related to both, turbulence and its large scale driving, should be related to long-range interactions in the context of nonextensive entropy generalization, providing fundamentally the physical background of the observed scale dependence of fluctuations in intermittent space plasmas.

Model-Free Reconstruction of Excitatory Neuronal Connectivity from Calcium Imaging Signals

PubMed Central

Stetter, Olav; Battaglia, Demian; Soriano, Jordi; Geisel, Theo

2012-01-01

A systematic assessment of global neural network connectivity through direct electrophysiological assays has remained technically infeasible, even in simpler systems like dissociated neuronal cultures. We introduce an improved algorithmic approach based on Transfer Entropy to reconstruct structural connectivity from network activity monitored through calcium imaging. We focus in this study on the inference of excitatory synaptic links. Based on information theory, our method requires no prior assumptions on the statistics of neuronal firing and neuronal connections. The performance of our algorithm is benchmarked on surrogate time series of calcium fluorescence generated by the simulated dynamics of a network with known ground-truth topology. We find that the functional network topology revealed by Transfer Entropy depends qualitatively on the time-dependent dynamic state of the network (bursting or non-bursting). Thus by conditioning with respect to the global mean activity, we improve the performance of our method. This allows us to focus the analysis to specific dynamical regimes of the network in which the inferred functional connectivity is shaped by monosynaptic excitatory connections, rather than by collective synchrony. Our method can discriminate between actual causal influences between neurons and spurious non-causal correlations due to light scattering artifacts, which inherently affect the quality of fluorescence imaging. Compared to other reconstruction strategies such as cross-correlation or Granger Causality methods, our method based on improved Transfer Entropy is remarkably more accurate. In particular, it provides a good estimation of the excitatory network clustering coefficient, allowing for discrimination between weakly and strongly clustered topologies. Finally, we demonstrate the applicability of our method to analyses of real recordings of in vitro disinhibited cortical cultures where we suggest that excitatory connections are characterized by an elevated level of clustering compared to a random graph (although not extreme) and can be markedly non-local. PMID:22927808

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

NASA Astrophysics Data System (ADS)

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

2017-04-01

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

Why Compositional Convection Cannot Explain Substellar Objects’ Sharp Spectral-type Transitions

NASA Astrophysics Data System (ADS)

Leconte, Jérémy

2018-02-01

As brown dwarfs and young giant planets cool down, they are known to experience various chemical transitions—for example, from {CO} rich L-dwarfs to methane rich T-dwarfs. Those chemical transitions are accompanied by spectral transitions with sharpness that cannot be explained by chemistry alone. In a series of articles, Tremblin et al. proposed that some of the yet-unexplained features associated with these transitions could be explained by a reduction of the thermal gradient near the photosphere. To explain, in turn, this more isothermal profile, they invoke the presence of an instability analogous to fingering convection—compositional convection—triggered by the change in mean molecular weight of the gas due to the chemical transitions mentioned above. In this Letter, we use existing arguments to demonstrate that any turbulent transport, if present, would in fact increase the thermal gradient. This misinterpretation comes from the fact that turbulence mixes/homogenizes entropy (potential temperature) instead of temperature. So, while increasing transport, turbulence in an initially stratified atmosphere actually carries energy downward, whether it is due to fingering or any other type of compositional convection. These processes therefore cannot explain the features observed along the aforementioned transitions by reducing the thermal gradient in the atmosphere of substellar objects. Understanding the microphysical and dynamical properties of clouds at these transitions thus probably remains our best way forward.

Diffusive mixing and Tsallis entropy

DOE PAGES

O'Malley, Daniel; Vesselinov, Velimir V.; Cushman, John H.

2015-04-29

Brownian motion, the classical diffusive process, maximizes the Boltzmann-Gibbs entropy. The Tsallis q-entropy, which is non-additive, was developed as an alternative to the classical entropy for systems which are non-ergodic. A generalization of Brownian motion is provided that maximizes the Tsallis entropy rather than the Boltzmann-Gibbs entropy. This process is driven by a Brownian measure with a random diffusion coefficient. In addition, the distribution of this coefficient is derived as a function of q for 1 < q < 3. Applications to transport in porous media are considered.

Holographic charged Rényi entropies

NASA Astrophysics Data System (ADS)

Belin, Alexandre; Hung, Ling-Yan; Maloney, Alexander; Matsuura, Shunji; Myers, Robert C.; Sierens, Todd

2013-12-01

We construct a new class of entanglement measures by extending the usual definition of Rényi entropy to include a chemical potential. These charged Rényi entropies measure the degree of entanglement in different charge sectors of the theory and are given by Euclidean path integrals with the insertion of a Wilson line encircling the entangling surface. We compute these entropies for a spherical entangling surface in CFT's with holographic duals, where they are related to entropies of charged black holes with hyperbolic horizons. We also compute charged Rényi entropies in free field theories.

Wavelet entropy of BOLD time series: An application to Rolandic epilepsy.

PubMed

Gupta, Lalit; Jansen, Jacobus F A; Hofman, Paul A M; Besseling, René M H; de Louw, Anton J A; Aldenkamp, Albert P; Backes, Walter H

2017-12-01

To assess the wavelet entropy for the characterization of intrinsic aberrant temporal irregularities in the time series of resting-state blood-oxygen-level-dependent (BOLD) signal fluctuations. Further, to evaluate the temporal irregularities (disorder/order) on a voxel-by-voxel basis in the brains of children with Rolandic epilepsy. The BOLD time series was decomposed using the discrete wavelet transform and the wavelet entropy was calculated. Using a model time series consisting of multiple harmonics and nonstationary components, the wavelet entropy was compared with Shannon and spectral (Fourier-based) entropy. As an application, the wavelet entropy in 22 children with Rolandic epilepsy was compared to 22 age-matched healthy controls. The images were obtained by performing resting-state functional magnetic resonance imaging (fMRI) using a 3T system, an 8-element receive-only head coil, and an echo planar imaging pulse sequence ( T2*-weighted). The wavelet entropy was also compared to spectral entropy, regional homogeneity, and Shannon entropy. Wavelet entropy was found to identify the nonstationary components of the model time series. In Rolandic epilepsy patients, a significantly elevated wavelet entropy was observed relative to controls for the whole cerebrum (P = 0.03). Spectral entropy (P = 0.41), regional homogeneity (P = 0.52), and Shannon entropy (P = 0.32) did not reveal significant differences. The wavelet entropy measure appeared more sensitive to detect abnormalities in cerebral fluctuations represented by nonstationary effects in the BOLD time series than more conventional measures. This effect was observed in the model time series as well as in Rolandic epilepsy. These observations suggest that the brains of children with Rolandic epilepsy exhibit stronger nonstationary temporal signal fluctuations than controls. 2 Technical Efficacy: Stage 3 J. Magn. Reson. Imaging 2017;46:1728-1737. © 2017 International Society for Magnetic Resonance in Medicine.

Characterization of complexity in the electroencephalograph activity of Alzheimer's disease based on fuzzy entropy.

PubMed

Cao, Yuzhen; Cai, Lihui; Wang, Jiang; Wang, Ruofan; Yu, Haitao; Cao, Yibin; Liu, Jing

2015-08-01

In this paper, experimental neurophysiologic recording and statistical analysis are combined to investigate the nonlinear characteristic and the cognitive function of the brain. Fuzzy approximate entropy and fuzzy sample entropy are applied to characterize the model-based simulated series and electroencephalograph (EEG) series of Alzheimer's disease (AD). The effectiveness and advantages of these two kinds of fuzzy entropy are first verified through the simulated EEG series generated by the alpha rhythm model, including stronger relative consistency and robustness. Furthermore, in order to detect the abnormality of irregularity and chaotic behavior in the AD brain, the complexity features based on these two fuzzy entropies are extracted in the delta, theta, alpha, and beta bands. It is demonstrated that, due to the introduction of fuzzy set theory, the fuzzy entropies could better distinguish EEG signals of AD from that of the normal than the approximate entropy and sample entropy. Moreover, the entropy values of AD are significantly decreased in the alpha band, particularly in the temporal brain region, such as electrode T3 and T4. In addition, fuzzy sample entropy could achieve higher group differences in different brain regions and higher average classification accuracy of 88.1% by support vector machine classifier. The obtained results prove that fuzzy sample entropy may be a powerful tool to characterize the complexity abnormalities of AD, which could be helpful in further understanding of the disease.

Characterization of complexity in the electroencephalograph activity of Alzheimer's disease based on fuzzy entropy

NASA Astrophysics Data System (ADS)

Cao, Yuzhen; Cai, Lihui; Wang, Jiang; Wang, Ruofan; Yu, Haitao; Cao, Yibin; Liu, Jing

2015-08-01

In this paper, experimental neurophysiologic recording and statistical analysis are combined to investigate the nonlinear characteristic and the cognitive function of the brain. Fuzzy approximate entropy and fuzzy sample entropy are applied to characterize the model-based simulated series and electroencephalograph (EEG) series of Alzheimer's disease (AD). The effectiveness and advantages of these two kinds of fuzzy entropy are first verified through the simulated EEG series generated by the alpha rhythm model, including stronger relative consistency and robustness. Furthermore, in order to detect the abnormality of irregularity and chaotic behavior in the AD brain, the complexity features based on these two fuzzy entropies are extracted in the delta, theta, alpha, and beta bands. It is demonstrated that, due to the introduction of fuzzy set theory, the fuzzy entropies could better distinguish EEG signals of AD from that of the normal than the approximate entropy and sample entropy. Moreover, the entropy values of AD are significantly decreased in the alpha band, particularly in the temporal brain region, such as electrode T3 and T4. In addition, fuzzy sample entropy could achieve higher group differences in different brain regions and higher average classification accuracy of 88.1% by support vector machine classifier. The obtained results prove that fuzzy sample entropy may be a powerful tool to characterize the complexity abnormalities of AD, which could be helpful in further understanding of the disease.

Entropy Filtered Density Function for Large Eddy Simulation of Turbulent Reacting Flows

NASA Astrophysics Data System (ADS)

Safari, Mehdi

Analysis of local entropy generation is an effective means to optimize the performance of energy and combustion systems by minimizing the irreversibilities in transport processes. Large eddy simulation (LES) is employed to describe entropy transport and generation in turbulent reacting flows. The entropy transport equation in LES contains several unclosed terms. These are the subgrid scale (SGS) entropy flux and entropy generation caused by irreversible processes: heat conduction, mass diffusion, chemical reaction and viscous dissipation. The SGS effects are taken into account using a novel methodology based on the filtered density function (FDF). This methodology, entitled entropy FDF (En-FDF), is developed and utilized in the form of joint entropy-velocity-scalar-turbulent frequency FDF and the marginal scalar-entropy FDF, both of which contain the chemical reaction effects in a closed form. The former constitutes the most comprehensive form of the En-FDF and provides closure for all the unclosed filtered moments. This methodology is applied for LES of a turbulent shear layer involving transport of passive scalars. Predictions show favor- able agreements with the data generated by direct numerical simulation (DNS) of the same layer. The marginal En-FDF accounts for entropy generation effects as well as scalar and entropy statistics. This methodology is applied to a turbulent nonpremixed jet flame (Sandia Flame D) and predictions are validated against experimental data. In both flows, sources of irreversibility are predicted and analyzed.

Use of information entropy measures of sitting postural sway to quantify developmental delay in infants

PubMed Central

Deffeyes, Joan E; Harbourne, Regina T; DeJong, Stacey L; Kyvelidou, Anastasia; Stuberg, Wayne A; Stergiou, Nicholas

2009-01-01

Background By quantifying the information entropy of postural sway data, the complexity of the postural movement of different populations can be assessed, giving insight into pathologic motor control functioning. Methods In this study, developmental delay of motor control function in infants was assessed by analysis of sitting postural sway data acquired from force plate center of pressure measurements. Two types of entropy measures were used: symbolic entropy, including a new asymmetric symbolic entropy measure, and approximate entropy, a more widely used entropy measure. For each method of analysis, parameters were adjusted to optimize the separation of the results from the infants with delayed development from infants with typical development. Results The method that gave the widest separation between the populations was the asymmetric symbolic entropy method, which we developed by modification of the symbolic entropy algorithm. The approximate entropy algorithm also performed well, using parameters optimized for the infant sitting data. The infants with delayed development were found to have less complex patterns of postural sway in the medial-lateral direction, and were found to have different left-right symmetry in their postural sway, as compared to typically developing infants. Conclusion The results of this study indicate that optimization of the entropy algorithm for infant sitting postural sway data can greatly improve the ability to separate the infants with developmental delay from typically developing infants. PMID:19671183

The gravity dual of Rényi entropy.

PubMed

Dong, Xi

2016-08-12

A remarkable yet mysterious property of black holes is that their entropy is proportional to the horizon area. This area law inspired the holographic principle, which was later realized concretely in gauge-gravity duality. In this context, entanglement entropy is given by the area of a minimal surface in a dual spacetime. However, discussions of area laws have been constrained to entanglement entropy, whereas a full understanding of a quantum state requires Rényi entropies. Here we show that all Rényi entropies satisfy a similar area law in holographic theories and are given by the areas of dual cosmic branes. This geometric prescription is a one-parameter generalization of the minimal surface prescription for entanglement entropy. Applying this we provide the first holographic calculation of mutual Rényi information between two disks of arbitrary dimension. Our results provide a framework for efficiently studying Rényi entropies and understanding entanglement structures in strongly coupled systems and quantum gravity.

The gravity dual of Rényi entropy

PubMed Central

Dong, Xi

2016-01-01

A remarkable yet mysterious property of black holes is that their entropy is proportional to the horizon area. This area law inspired the holographic principle, which was later realized concretely in gauge-gravity duality. In this context, entanglement entropy is given by the area of a minimal surface in a dual spacetime. However, discussions of area laws have been constrained to entanglement entropy, whereas a full understanding of a quantum state requires Rényi entropies. Here we show that all Rényi entropies satisfy a similar area law in holographic theories and are given by the areas of dual cosmic branes. This geometric prescription is a one-parameter generalization of the minimal surface prescription for entanglement entropy. Applying this we provide the first holographic calculation of mutual Rényi information between two disks of arbitrary dimension. Our results provide a framework for efficiently studying Rényi entropies and understanding entanglement structures in strongly coupled systems and quantum gravity. PMID:27515122

Entropy coders for image compression based on binary forward classification

NASA Astrophysics Data System (ADS)

Yoo, Hoon; Jeong, Jechang

2000-12-01

Entropy coders as a noiseless compression method are widely used as final step compression for images, and there have been many contributions to increase of entropy coder performance and to reduction of entropy coder complexity. In this paper, we propose some entropy coders based on the binary forward classification (BFC). The BFC requires overhead of classification but there is no change between the amount of input information and the total amount of classified output information, which we prove this property in this paper. And using the proved property, we propose entropy coders that are the BFC followed by Golomb-Rice coders (BFC+GR) and the BFC followed by arithmetic coders (BFC+A). The proposed entropy coders introduce negligible additional complexity due to the BFC. Simulation results also show better performance than other entropy coders that have similar complexity to the proposed coders.

Nonparametric entropy estimation using kernel densities.

PubMed

Lake, Douglas E

2009-01-01

The entropy of experimental data from the biological and medical sciences provides additional information over summary statistics. Calculating entropy involves estimates of probability density functions, which can be effectively accomplished using kernel density methods. Kernel density estimation has been widely studied and a univariate implementation is readily available in MATLAB. The traditional definition of Shannon entropy is part of a larger family of statistics, called Renyi entropy, which are useful in applications that require a measure of the Gaussianity of data. Of particular note is the quadratic entropy which is related to the Friedman-Tukey (FT) index, a widely used measure in the statistical community. One application where quadratic entropy is very useful is the detection of abnormal cardiac rhythms, such as atrial fibrillation (AF). Asymptotic and exact small-sample results for optimal bandwidth and kernel selection to estimate the FT index are presented and lead to improved methods for entropy estimation.

Entropy of Stationary Nonequilibrium Measures of Boundary Driven Symmetric Simple Exclusion Processes

NASA Astrophysics Data System (ADS)

Bernardin, Cédric; Landim, Claudio

2010-12-01

We examine the entropy of stationary nonequilibrium measures of boundary driven symmetric simple exclusion processes. In contrast with the Gibbs-Shannon entropy (Bahadoran in J. Stat. Phys. 126(4-5):1069-1082, 2007; Derrida et al. in J. Stat. Phys. 126(4-5):1083-1108, 2007), the entropy of nonequilibrium stationary states differs from the entropy of local equilibrium states.

Classical and quantum entropy of parton distributions

NASA Astrophysics Data System (ADS)

Hagiwara, Yoshikazu; Hatta, Yoshitaka; Xiao, Bo-Wen; Yuan, Feng

2018-05-01

We introduce the semiclassical Wehrl entropy for the nucleon as a measure of complexity of the multiparton configuration in phase space. This gives a new perspective on the nucleon tomography. We evaluate the entropy in the small-x region and compare with the quantum von Neumann entropy. We also argue that the growth of entropy at small x is eventually slowed down due to the Pomeron loop effect.

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

NASA Astrophysics Data System (ADS)

Li, Weiyao; Huang, Guanhua; Xiong, Yunwu

2016-04-01

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

The Structure of Scientific Evolution

PubMed Central

2013-01-01

Science is the construction and testing of systems that bind symbols to sensations according to rules. Material implication is the primary rule, providing the structure of definition, elaboration, delimitation, prediction, explanation, and control. The goal of science is not to secure truth, which is a binary function of accuracy, but rather to increase the information about data communicated by theory. This process is symmetric and thus entails an increase in the information about theory communicated by data. Important components in this communication are the elevation of data to the status of facts, the descent of models under the guidance of theory, and their close alignment through the evolving retroductive process. The information mutual to theory and data may be measured as the reduction in the entropy, or complexity, of the field of data given the model. It may also be measured as the reduction in the entropy of the field of models given the data. This symmetry explains the important status of parsimony (how thoroughly the data exploit what the model can say) alongside accuracy (how thoroughly the model represents what can be said about the data). Mutual information is increased by increasing model accuracy and parsimony, and by enlarging and refining the data field under purview. PMID:28018043

Dual Phase-space Cascades in 3D Hybrid-Vlasov–Maxwell Turbulence

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

Cerri, S. S.; Kunz, M. W.; Califano, F.

To explain energy dissipation via turbulence in collisionless, magnetized plasmas, the existence of a dual real- and velocity-space cascade of ion-entropy fluctuations below the ion gyroradius has been proposed. Such a dual cascade, predicted by the gyrokinetic theory, has previously been observed in gyrokinetic simulations of two-dimensional, electrostatic turbulence. For the first time we show evidence for a dual phase-space cascade of ion-entropy fluctuations in a three-dimensional simulation of hybrid-kinetic, electromagnetic turbulence. Some of the scalings observed in the energy spectra are consistent with a generalized theory for the cascade that accounts for the spectral anisotropy of critically balanced, intermittent,more » sub-ion-Larmor-scale fluctuations. Also, the observed velocity-space cascade is anisotropic with respect to the magnetic-field direction, with linear phase mixing along magnetic-field lines proceeding mainly at spatial scales above the ion gyroradius and nonlinear phase mixing across magnetic-field lines proceeding at perpendicular scales below the ion gyroradius. Such phase-space anisotropy could be sought in heliospheric and magnetospheric data of solar-wind turbulence and has far-reaching implications for the dissipation of turbulence in weakly collisional astrophysical plasmas.« less

Entropy and optimality in river deltas

NASA Astrophysics Data System (ADS)

Tejedor, Alejandro; Longjas, Anthony; Edmonds, Douglas A.; Zaliapin, Ilya; Georgiou, Tryphon T.; Rinaldo, Andrea; Foufoula-Georgiou, Efi

2017-10-01

The form and function of river deltas is intricately linked to the evolving structure of their channel networks, which controls how effectively deltas are nourished with sediments and nutrients. Understanding the coevolution of deltaic channels and their flux organization is crucial for guiding maintenance strategies of these highly stressed systems from a range of anthropogenic activities. To date, however, a unified theory explaining how deltas self-organize to distribute water and sediment up to the shoreline remains elusive. Here, we provide evidence for an optimality principle underlying the self-organized partition of fluxes in delta channel networks. By introducing a suitable nonlocal entropy rate (nER) and by analyzing field and simulated deltas, we suggest that delta networks achieve configurations that maximize the diversity of water and sediment flux delivery to the shoreline. We thus suggest that prograding deltas attain dynamically accessible optima of flux distributions on their channel network topologies, thus effectively decoupling evolutionary time scales of geomorphology and hydrology. When interpreted in terms of delta resilience, high nER configurations reflect an increased ability to withstand perturbations. However, the distributive mechanism responsible for both diversifying flux delivery to the shoreline and dampening possible perturbations might lead to catastrophic events when those perturbations exceed certain intensity thresholds.

Quantum entanglement and informational activities of biomolecules

NASA Astrophysics Data System (ADS)

Al-Shargi, Hanan; Berkovich, Simon

2009-03-01

Our model of holographic Universe [1] explains the surprising property of quantum entanglement and reveals its biological implications. The suggested holographic mechanism handles 2D slices of the physical world as a whole. Fitting this simple holistic process in the Procrustean bed of individual particles interactions leads to intricacies of quantum theory with an unintelligible protrusion of distant correlations. Holographic medium imposes dependence of quantum effects on absolute positioning. Testing this prediction for a non-exponential radioactive decay could resolutely point to outside ``memory.'' The essence of Life is in the sophistication of macromolecules. Distinctions in biological information processing of nucleotides in DNA and amino acids in proteins are related to entropies of their structures. Randomness of genetic configurations as exposed by their maximal entropy is characteristic of passive identification rather than active storage functionality. Structural redundancy of proteins shows their operability, of which different foldings of prions is most indicative. Folding of one prion can reshape another prion without a direct contact appearing like ``quantum entanglement,'' or ``teleportation.'' Testing the surmised influence of absolute orientation on the prion reshaping can uncover the latency effects in the ``mad cow'' disease. 1. Simon Berkovich, TR-GWU-CS-07-006, http://www.cs.gwu.edu/research/reports.php

Folding pathway of a multidomain protein depends on its topology of domain connectivity

PubMed Central

Inanami, Takashi; Terada, Tomoki P.; Sasai, Masaki

2014-01-01

How do the folding mechanisms of multidomain proteins depend on protein topology? We addressed this question by developing an Ising-like structure-based model and applying it for the analysis of free-energy landscapes and folding kinetics of an example protein, Escherichia coli dihydrofolate reductase (DHFR). DHFR has two domains, one comprising discontinuous N- and C-terminal parts and the other comprising a continuous middle part of the chain. The simulated folding pathway of DHFR is a sequential process during which the continuous domain folds first, followed by the discontinuous domain, thereby avoiding the rapid decrease in conformation entropy caused by the association of the N- and C-terminal parts during the early phase of folding. Our simulated results consistently explain the observed experimental data on folding kinetics and predict an off-pathway structural fluctuation at equilibrium. For a circular permutant for which the topological complexity of wild-type DHFR is resolved, the balance between energy and entropy is modulated, resulting in the coexistence of the two folding pathways. This coexistence of pathways should account for the experimentally observed complex folding behavior of the circular permutant. PMID:25267632

Dual Phase-space Cascades in 3D Hybrid-Vlasov–Maxwell Turbulence

DOE PAGES

Cerri, S. S.; Kunz, M. W.; Califano, F.

2018-03-23

To explain energy dissipation via turbulence in collisionless, magnetized plasmas, the existence of a dual real- and velocity-space cascade of ion-entropy fluctuations below the ion gyroradius has been proposed. Such a dual cascade, predicted by the gyrokinetic theory, has previously been observed in gyrokinetic simulations of two-dimensional, electrostatic turbulence. For the first time we show evidence for a dual phase-space cascade of ion-entropy fluctuations in a three-dimensional simulation of hybrid-kinetic, electromagnetic turbulence. Some of the scalings observed in the energy spectra are consistent with a generalized theory for the cascade that accounts for the spectral anisotropy of critically balanced, intermittent,more » sub-ion-Larmor-scale fluctuations. Also, the observed velocity-space cascade is anisotropic with respect to the magnetic-field direction, with linear phase mixing along magnetic-field lines proceeding mainly at spatial scales above the ion gyroradius and nonlinear phase mixing across magnetic-field lines proceeding at perpendicular scales below the ion gyroradius. Such phase-space anisotropy could be sought in heliospheric and magnetospheric data of solar-wind turbulence and has far-reaching implications for the dissipation of turbulence in weakly collisional astrophysical plasmas.« less

A thermodynamically general theory for convective vortices

NASA Astrophysics Data System (ADS)

Renno, Nilton O.

2008-08-01

Convective vortices are common features of atmospheres that absorb lower-entropy-energy at higher temperatures than they reject higher-entropy-energy to space. These vortices range from small to large-scale and play an important role in the vertical transport of heat, momentum, and tracer species. Thus, the development of theoretical models for convective vortices is important to our understanding of some of the basic features of planetary atmospheres. The heat engine framework is a useful tool for studying convective vortices. However, current theories assume that convective vortices are reversible heat engines. Since there are questions about how reversible real atmospheric heat engines are, their usefulness for studying real atmospheric vortices is somewhat controversial. In order to reduce this problem, a theory for convective vortices that includes irreversible processes is proposed. The paper's main result is that the proposed theory provides an expression for the pressure drop along streamlines that includes the effects of irreversible processes. It is shown that a simplified version of this expression is a generalization of Bernoulli's equation to convective circulations. It is speculated that the proposed theory not only explains the intensity, but also sheds light on other basic features of convective vortices such as their physical appearance.

Inhibition of calcite precipitation by natural organic material: Kinetics, mechanism, and thermodynamics

USGS Publications Warehouse

Lin, Y.-P.; Singer, P.C.; Aiken, G.R.

2005-01-01

The inhibition of calcite precipitation by natural organic material (NOM) in solutions seeded with calcite was investigated using a pH-stat system. Experiments were carried out using three NOMs with different physical/chemical properties. For each of the materials, inhibition was found to be more effective at lower carbonate/calcium ratios and lower pH values. The reduction in the precipitation rate could be explained by a Langmuir adsorption model using a conditional equilibrium constant. By identification of the type of site on the NOM molecules that is involved in the adsorption reaction, the "conditional" equilibrium constants obtained at different solution compositions converged to a single "nonconditional" value. The thermodynamic data determined at 25??C and 1 atm suggest that the interaction between NOM molecules and the calcite surface is chemisorptive in nature and that adsorption is an endothermic reaction driven by the entropy change. The greatest degree of inhibition was observed for the NOM with the highest molecular weight and aromatic carbon content. For a given type of NOM, the degree of inhibition of calcite precipitation was dictated by the balance between the enthalpy change and the entropy change of the adsorption reaction. ?? 2005 American Chemical Society.

Suppression of atmospheric recycling of planets embedded in a protoplanetary disc by buoyancy barrier

NASA Astrophysics Data System (ADS)

Kurokawa, Hiroyuki; Tanigawa, Takayuki

2018-06-01

The ubiquity of super-Earths poses a problem for planet formation theory to explain how they avoided becoming gas giants. Rapid recycling of the envelope gas of planets embedded in a protoplanetary disc has been proposed to delay the cooling and following accretion of disc gas. We compare isothermal and non-isothermal 3D hydrodynamical simulations of the gas flow past a planet to investigate the influence on the feasibility of the recycling mechanism. Radiative cooling is implemented by using the β cooling model. We find that, in either case, gas enters the Bondi sphere at high latitudes and leaves through the midplane regions, or vice versa when disc gas rotates sub-Keplerian. However, in contrast to the isothermal case where the recycling flow reaches the deeper part of the envelope, the inflow is inhibited from reaching the deep envelope in the non-isothermal case. Once the atmosphere starts cooling, buoyant force prevents the high-entropy disc gas from intruding the low-entropy atmosphere. We suggest that the buoyancy barrier isolates the lower envelope from the recycling and allows further cooling, which may lead runaway gas accretion onto the core.

Dual Phase-space Cascades in 3D Hybrid-Vlasov–Maxwell Turbulence

NASA Astrophysics Data System (ADS)

Cerri, S. S.; Kunz, M. W.; Califano, F.

2018-03-01

To explain energy dissipation via turbulence in collisionless, magnetized plasmas, the existence of a dual real- and velocity-space cascade of ion-entropy fluctuations below the ion gyroradius has been proposed. Such a dual cascade, predicted by the gyrokinetic theory, has previously been observed in gyrokinetic simulations of two-dimensional, electrostatic turbulence. For the first time, we show evidence for a dual phase-space cascade of ion-entropy fluctuations in a three-dimensional simulation of hybrid-kinetic, electromagnetic turbulence. Some of the scalings observed in the energy spectra are consistent with a generalized theory for the cascade that accounts for the spectral anisotropy of critically balanced, intermittent, sub-ion-Larmor-scale fluctuations. The observed velocity-space cascade is also anisotropic with respect to the magnetic-field direction, with linear phase mixing along magnetic-field lines proceeding mainly at spatial scales above the ion gyroradius and nonlinear phase mixing across magnetic-field lines proceeding at perpendicular scales below the ion gyroradius. Such phase-space anisotropy could be sought in heliospheric and magnetospheric data of solar-wind turbulence and has far-reaching implications for the dissipation of turbulence in weakly collisional astrophysical plasmas.

Time dependence of Hawking radiation entropy

NASA Astrophysics Data System (ADS)

Page, Don N.

2013-09-01

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

Time-series analysis of sleep wake stage of rat EEG using time-dependent pattern entropy

NASA Astrophysics Data System (ADS)

Ishizaki, Ryuji; Shinba, Toshikazu; Mugishima, Go; Haraguchi, Hikaru; Inoue, Masayoshi

2008-05-01

We performed electroencephalography (EEG) for six male Wistar rats to clarify temporal behaviors at different levels of consciousness. Levels were identified both by conventional sleep analysis methods and by our novel entropy method. In our method, time-dependent pattern entropy is introduced, by which EEG is reduced to binary symbolic dynamics and the pattern of symbols in a sliding temporal window is considered. A high correlation was obtained between level of consciousness as measured by the conventional method and mean entropy in our entropy method. Mean entropy was maximal while awake (stage W) and decreased as sleep deepened. These results suggest that time-dependent pattern entropy may offer a promising method for future sleep research.

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

NASA Astrophysics Data System (ADS)

Mohammad-Djafari, Ali

2015-01-01

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

Ward's area location, physical activity, and body composition in 8- and 9-year-old boys and girls.

PubMed

Cardadeiro, Graça; Baptista, Fátima; Zymbal, Vera; Rodrigues, Luís A; Sardinha, Luís B

2010-11-01

Bone strength is the result of its material composition and structural design, particularly bone mass distribution. The purpose of this study was to analyze femoral neck bone mass distribution by Ward's area location and its relationship with physical activity (PA) and body composition in children 8 and 9 years of age. The proximal femur shape was defined by geometric morphometric analysis in 88 participants (48 boys and 40 girls). Using dual-energy X-ray absorptiometry (DXA) images, 18 landmarks were digitized to define the proximal femur shape and to identify Ward's area position. Body weight, lean and fat mass, and bone mineral were assessed by DXA, PA by accelerometry, and bone age by the Tanner-Whitehouse III method. Warps analysis with Thin-Plate Spline software showed that the first axis explained 63% of proximal femur shape variation in boys and 58% in girls. Most of this variation was associated with differences in Ward's area location, from the central zone to the superior aspect of the femoral neck in both genders. Regression analysis demonstrated that body composition explained 4% to 7% of the proximal femur shape variation in girls. In boys, body composition variables explained a similar amount of variance, but moderate plus vigorous PA (MVPA) also accounted for 6% of proximal femur shape variation. In conclusion, proximal femur shape variation in children ages 8 and 9 was due mainly to differences in Ward's area position determined, in part, by body composition in both genders and by MVPA in boys. These variables were positively associated with a central Ward's area and thus with a more balanced femoral neck bone mass distribution. © 2010 American Society for Bone and Mineral Research.

Entropy change of biological dynamics in COPD

PubMed Central

Cao, Zhixin; Sun, Baoqing; Lo, Iek Long; Liu, Tzu-Ming; Zheng, Jun; Sun, Shixue; Shi, Yan; Zhang, Xiaohua Douglas

2017-01-01

In this century, the rapid development of large data storage technologies, mobile network technology, and portable medical devices makes it possible to measure, record, store, and track analysis of large amount of data in human physiological signals. Entropy is a key metric for quantifying the irregularity contained in physiological signals. In this review, we focus on how entropy changes in various physiological signals in COPD. Our review concludes that the entropy change relies on the types of physiological signals under investigation. For major physiological signals related to respiratory diseases, such as airflow, heart rate variability, and gait variability, the entropy of a patient with COPD is lower than that of a healthy person. However, in case of hormone secretion and respiratory sound, the entropy of a patient is higher than that of a healthy person. For mechanomyogram signal, the entropy increases with the increased severity of COPD. This result should give valuable guidance for the use of entropy for physiological signals measured by wearable medical device as well as for further research on entropy in COPD. PMID:29066881

Informational basis of sensory adaptation: entropy and single-spike efficiency in rat barrel cortex.

PubMed

Adibi, Mehdi; Clifford, Colin W G; Arabzadeh, Ehsan

2013-09-11

We showed recently that exposure to whisker vibrations enhances coding efficiency in rat barrel cortex despite increasing correlations in variability (Adibi et al., 2013). Here, to understand how adaptation achieves this improvement in sensory representation, we decomposed the stimulus information carried in neuronal population activity into its fundamental components in the framework of information theory. In the context of sensory coding, these components are the entropy of the responses across the entire stimulus set (response entropy) and the entropy of the responses conditional on the stimulus (conditional response entropy). We found that adaptation decreased response entropy and conditional response entropy at both the level of single neurons and the pooled activity of neuronal populations. However, the net effect of adaptation was to increase the mutual information because the drop in the conditional entropy outweighed the drop in the response entropy. The information transmitted by a single spike also increased under adaptation. As population size increased, the information content of individual spikes declined but the relative improvement attributable to adaptation was maintained.

The Holographic Entropy Cone

DOE PAGES

Bao, Ning; Nezami, Sepehr; Ooguri, Hirosi; ...

2015-09-21

We initiate a systematic enumeration and classification of entropy inequalities satisfied by the Ryu-Takayanagi formula for conformal field theory states with smooth holographic dual geometries. For 2, 3, and 4 regions, we prove that the strong subadditivity and the monogamy of mutual information give the complete set of inequalities. This is in contrast to the situation for generic quantum systems, where a complete set of entropy inequalities is not known for 4 or more regions. We also find an infinite new family of inequalities applicable to 5 or more regions. The set of all holographic entropy inequalities bounds the phasemore » space of Ryu-Takayanagi entropies, defining the holographic entropy cone. We characterize this entropy cone by reducing geometries to minimal graph models that encode the possible cutting and gluing relations of minimal surfaces. We find that, for a fixed number of regions, there are only finitely many independent entropy inequalities. To establish new holographic entropy inequalities, we introduce a combinatorial proof technique that may also be of independent interest in Riemannian geometry and graph theory.« less

Thermality and excited state Rényi entropy in two-dimensional CFT

NASA Astrophysics Data System (ADS)

Lin, Feng-Li; Wang, Huajia; Zhang, Jia-ju

2016-11-01

We evaluate one-interval Rényi entropy and entanglement entropy for the excited states of two-dimensional conformal field theory (CFT) on a cylinder, and examine their differences from the ones for the thermal state. We assume the interval to be short so that we can use operator product expansion (OPE) of twist operators to calculate Rényi entropy in terms of sum of one-point functions of OPE blocks. We find that the entanglement entropy for highly excited state and thermal state behave the same way after appropriate identification of the conformal weight of the state with the temperature. However, there exists no such universal identification for the Rényi entropy in the short-interval expansion. Therefore, the highly excited state does not look thermal when comparing its Rényi entropy to the thermal state one. As the Rényi entropy captures the higher moments of the reduced density matrix but the entanglement entropy only the average, our results imply that the emergence of thermality depends on how refined we look into the entanglement structure of the underlying pure excited state.

Thermodynamics of multicaloric effects in multiferroic materials: application to metamagnetic shape-memory alloys and ferrotoroidics

DOE PAGES

Planes, Antoni; Castán, Teresa; Saxena, Avadh

2016-07-11

In this paper, we develop a general thermodynamic framework to investigate multicaloric effects in multiferroic materials. This is applied to the study of both magnetostructural and magnetoelectric multiferroics. Landau models with appropriate interplay between the corresponding ferroic properties (order parameters) are proposed for metamagnetic shape-memory and ferrotoroidic materials, which, respectively, belong to the two classes of multiferroics. For each ferroic property, caloric effects are quantified by the isothermal entropy change induced by the application of the corresponding thermodynamically conjugated field. The multicaloric effect is obtained as a function of the two relevant applied fields in each class of multiferroics. Itmore » is further shown that multicaloric effects comprise the corresponding contributions from caloric effects associated with each ferroic property and the cross-contribution arising from the interplay between these ferroic properties. Finally, this article is part of the themed issue ‘Taking the temperature of phase transitions in cool materials’.« less

Adaptive feature selection using v-shaped binary particle swarm optimization.

PubMed

Teng, Xuyang; Dong, Hongbin; Zhou, Xiurong

2017-01-01

Feature selection is an important preprocessing method in machine learning and data mining. This process can be used not only to reduce the amount of data to be analyzed but also to build models with stronger interpretability based on fewer features. Traditional feature selection methods evaluate the dependency and redundancy of features separately, which leads to a lack of measurement of their combined effect. Moreover, a greedy search considers only the optimization of the current round and thus cannot be a global search. To evaluate the combined effect of different subsets in the entire feature space, an adaptive feature selection method based on V-shaped binary particle swarm optimization is proposed. In this method, the fitness function is constructed using the correlation information entropy. Feature subsets are regarded as individuals in a population, and the feature space is searched using V-shaped binary particle swarm optimization. The above procedure overcomes the hard constraint on the number of features, enables the combined evaluation of each subset as a whole, and improves the search ability of conventional binary particle swarm optimization. The proposed algorithm is an adaptive method with respect to the number of feature subsets. The experimental results show the advantages of optimizing the feature subsets using the V-shaped transfer function and confirm the effectiveness and efficiency of the feature subsets obtained under different classifiers.

Adaptive feature selection using v-shaped binary particle swarm optimization

PubMed Central

Dong, Hongbin; Zhou, Xiurong

2017-01-01

Feature selection is an important preprocessing method in machine learning and data mining. This process can be used not only to reduce the amount of data to be analyzed but also to build models with stronger interpretability based on fewer features. Traditional feature selection methods evaluate the dependency and redundancy of features separately, which leads to a lack of measurement of their combined effect. Moreover, a greedy search considers only the optimization of the current round and thus cannot be a global search. To evaluate the combined effect of different subsets in the entire feature space, an adaptive feature selection method based on V-shaped binary particle swarm optimization is proposed. In this method, the fitness function is constructed using the correlation information entropy. Feature subsets are regarded as individuals in a population, and the feature space is searched using V-shaped binary particle swarm optimization. The above procedure overcomes the hard constraint on the number of features, enables the combined evaluation of each subset as a whole, and improves the search ability of conventional binary particle swarm optimization. The proposed algorithm is an adaptive method with respect to the number of feature subsets. The experimental results show the advantages of optimizing the feature subsets using the V-shaped transfer function and confirm the effectiveness and efficiency of the feature subsets obtained under different classifiers. PMID:28358850

Controlling the Shannon Entropy of Quantum Systems

PubMed Central

Xing, Yifan; Wu, Jun

2013-01-01

This paper proposes a new quantum control method which controls the Shannon entropy of quantum systems. For both discrete and continuous entropies, controller design methods are proposed based on probability density function control, which can drive the quantum state to any target state. To drive the entropy to any target at any prespecified time, another discretization method is proposed for the discrete entropy case, and the conditions under which the entropy can be increased or decreased are discussed. Simulations are done on both two- and three-dimensional quantum systems, where division and prediction are used to achieve more accurate tracking. PMID:23818819

Controlling the shannon entropy of quantum systems.

PubMed

Xing, Yifan; Wu, Jun

2013-01-01

This paper proposes a new quantum control method which controls the Shannon entropy of quantum systems. For both discrete and continuous entropies, controller design methods are proposed based on probability density function control, which can drive the quantum state to any target state. To drive the entropy to any target at any prespecified time, another discretization method is proposed for the discrete entropy case, and the conditions under which the entropy can be increased or decreased are discussed. Simulations are done on both two- and three-dimensional quantum systems, where division and prediction are used to achieve more accurate tracking.

Comment on "Route from discreteness to the continuum for the Tsallis q -entropy"

NASA Astrophysics Data System (ADS)

Ou, Congjie; Abe, Sumiyoshi

2018-06-01

Several years ago, it had been discussed that nonlogarithmic entropies, such as the Tsallis q -entropy cannot be applied to systems with continuous variables. Now, in their recent paper [Phys. Rev. E 97, 012104 (2018), 10.1103/PhysRevE.97.012104], Oikonomou and Bagci have modified the form of the q -entropy for discrete variables in such a way that its continuum limit exists. Here, it is shown that this modification violates the expandability property of entropy, and their work is actually supporting evidence for the absence of the q -entropy for systems with continuous variables.

Entanglement Entropy of Black Holes.

PubMed

Solodukhin, Sergey N

2011-01-01

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.

Entanglement Entropy of Black Holes

NASA Astrophysics Data System (ADS)

Solodukhin, Sergey N.

2011-10-01

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.

Excess Entropy Production in Quantum System: Quantum Master Equation Approach

NASA Astrophysics Data System (ADS)

Nakajima, Satoshi; Tokura, Yasuhiro

2017-12-01

For open systems described by the quantum master equation (QME), we investigate the excess entropy production under quasistatic operations between nonequilibrium steady states. The average entropy production is composed of the time integral of the instantaneous steady entropy production rate and the excess entropy production. We propose to define average entropy production rate using the average energy and particle currents, which are calculated by using the full counting statistics with QME. The excess entropy production is given by a line integral in the control parameter space and its integrand is called the Berry-Sinitsyn-Nemenman (BSN) vector. In the weakly nonequilibrium regime, we show that BSN vector is described by ln \\breve{ρ }_0 and ρ _0 where ρ _0 is the instantaneous steady state of the QME and \\breve{ρ }_0 is that of the QME which is given by reversing the sign of the Lamb shift term. If the system Hamiltonian is non-degenerate or the Lamb shift term is negligible, the excess entropy production approximately reduces to the difference between the von Neumann entropies of the system. Additionally, we point out that the expression of the entropy production obtained in the classical Markov jump process is different from our result and show that these are approximately equivalent only in the weakly nonequilibrium regime.

Coherence and entanglement measures based on Rényi relative entropies

NASA Astrophysics Data System (ADS)

Zhu, Huangjun; Hayashi, Masahito; Chen, Lin

2017-11-01

We study systematically resource measures of coherence and entanglement based on Rényi relative entropies, which include the logarithmic robustness of coherence, geometric coherence, and conventional relative entropy of coherence together with their entanglement analogues. First, we show that each Rényi relative entropy of coherence is equal to the corresponding Rényi relative entropy of entanglement for any maximally correlated state. By virtue of this observation, we establish a simple operational connection between entanglement measures and coherence measures based on Rényi relative entropies. We then prove that all these coherence measures, including the logarithmic robustness of coherence, are additive. Accordingly, all these entanglement measures are additive for maximally correlated states. In addition, we derive analytical formulas for Rényi relative entropies of entanglement of maximally correlated states and bipartite pure states, which reproduce a number of classic results on the relative entropy of entanglement and logarithmic robustness of entanglement in a unified framework. Several nontrivial bounds for Rényi relative entropies of coherence (entanglement) are further derived, which improve over results known previously. Moreover, we determine all states whose relative entropy of coherence is equal to the logarithmic robustness of coherence. As an application, we provide an upper bound for the exact coherence distillation rate, which is saturated for pure states.

An Equation for Moist Entropy in a Precipitating and Icy Atmosphere

NASA Technical Reports Server (NTRS)

Tao, Wei-Kuo; Simpson, Joanne; Zeng, Xiping

2003-01-01

Moist entropy is nearly conserved in adiabatic motion. It is redistributed rather than created by moist convection. Thus moist entropy and its equation, as a healthy direction, can be used to construct analytical and numerical models for the interaction between tropical convective clouds and large-scale circulations. Hence, an accurate equation of moist entropy is needed for the analysis and modeling of atmospheric convective clouds. On the basis of the consistency between the energy and the entropy equations, a complete equation of moist entropy is derived from the energy equation. The equation expresses explicitly the internal and external sources of moist entropy, including those in relation to the microphysics of clouds and precipitation. In addition, an accurate formula for the surface flux of moist entropy from the underlying surface into the air above is derived. Because moist entropy deals "easily" with the transition among three water phases, it will be used as a prognostic variable in the next generation of cloud-resolving models (e. g. a global cloud-resolving model) for low computational noise. Its equation that is derived in this paper is accurate and complete, providing a theoretical basis for using moist entropy as a prognostic variable in the long-term modeling of clouds and large-scale circulations.

Connectivity in the human brain dissociates entropy and complexity of auditory inputs☆

PubMed Central

Nastase, Samuel A.; Iacovella, Vittorio; Davis, Ben; Hasson, Uri

2015-01-01

Complex systems are described according to two central dimensions: (a) the randomness of their output, quantified via entropy; and (b) their complexity, which reflects the organization of a system's generators. Whereas some approaches hold that complexity can be reduced to uncertainty or entropy, an axiom of complexity science is that signals with very high or very low entropy are generated by relatively non-complex systems, while complex systems typically generate outputs with entropy peaking between these two extremes. In understanding their environment, individuals would benefit from coding for both input entropy and complexity; entropy indexes uncertainty and can inform probabilistic coding strategies, whereas complexity reflects a concise and abstract representation of the underlying environmental configuration, which can serve independent purposes, e.g., as a template for generalization and rapid comparisons between environments. Using functional neuroimaging, we demonstrate that, in response to passively processed auditory inputs, functional integration patterns in the human brain track both the entropy and complexity of the auditory signal. Connectivity between several brain regions scaled monotonically with input entropy, suggesting sensitivity to uncertainty, whereas connectivity between other regions tracked entropy in a convex manner consistent with sensitivity to input complexity. These findings suggest that the human brain simultaneously tracks the uncertainty of sensory data and effectively models their environmental generators. PMID:25536493

Fish Dishes.

ERIC Educational Resources Information Center

Derby, Marie

2003-01-01

Describes an art project that was inspired by Greek pottery, specifically dishes shaped as fish. Explains that fourth-grade students drew a fish shape that was later used to create their clay version of the fish. Discusses how the students examined the pottery to make decisions about color and design. (CMK)

Chandra Observations and Models of the Mixed Morphology Supernova Remnant W44: Global Trends

NASA Technical Reports Server (NTRS)

Shelton, R. L.; Kuntz, K. D.; Petre, R.

2004-01-01

We report on the Chandra observations of the archetypical mixed morphology (or thermal composite) supernova remnant, W44. As with other mixed morphology remnants, W44's projected center is bright in thermal X-rays. It has an obvious radio shell, but no discernable X-ray shell. In addition, X-ray bright knots dot W44's image. The spectral analysis of the Chandra data show that the remnant s hot, bright projected center is metal-rich and that the bright knots are regions of comparatively elevated elemental abundances. Neon is among the affected elements, suggesting that ejecta contributes to the abundance trends. Furthermore, some of the emitting iron atoms appear to be underionized with respect to the other ions, providing the first potential X-ray evidence for dust destruction in a supernova remnant. We use the Chandra data to test the following explanations for W44's X-ray bright center: 1.) entropy mixing due to bulk mixing or thermal conduction, 2.) evaporation of swept up clouds, and 3.) a metallicity gradient, possibly due to dust destruction and ejecta enrichment. In these tests, we assume that the remnant has evolved beyond the adiabatic evolutionary stage, which explains the X-ray dimness of the shell. The entropy mixed model spectrum was tested against the Chandra spectrum for the remnant's projected center and found to be a good match. The evaporating clouds model was constrained by the finding that the ionization parameters of the bright knots are similar to those of the surrounding regions. While both the entropy mixed and the evaporating clouds models are known to predict centrally bright X-ray morphologies, their predictions fall short of the observed brightness gradient. The resulting brightness gap can be largely filled in by emission from the extra metals in and near the remnant's projected center. The preponderance of evidence (including that drawn from other studies) suggests that W44's remarkable morphology can be attributed to dust destruction and ejecta enrichment within an entropy mixed, adiabatic phase supernova remnant. The Chandra data prompts a new question - by what astrophysical mechanisms are the metals distributed so inhomogeneously in the supernova remnant.

Enthalpy-Entropy Compensation in the Binding of Modulators at Ionotropic Glutamate Receptor GluA2.

PubMed

Krintel, Christian; Francotte, Pierre; Pickering, Darryl S; Juknaitė, Lina; Pøhlsgaard, Jacob; Olsen, Lars; Frydenvang, Karla; Goffin, Eric; Pirotte, Bernard; Kastrup, Jette S

2016-06-07

The 1,2,4-benzothiadiazine 1,1-dioxide type of positive allosteric modulators of the ionotropic glutamate receptor A2 (GluA2) are promising lead compounds for the treatment of cognitive disorders, e.g., Alzheimer's disease. The modulators bind in a cleft formed by the interface of two neighboring ligand binding domains and act by stabilizing the agonist-bound open-channel conformation. The driving forces behind the binding of these modulators can be significantly altered with only minor substitutions to the parent molecules. In this study, we show that changing the 7-fluorine substituent of modulators BPAM97 (2) and BPAM344 (3) into a hydroxyl group (BPAM557 (4) and BPAM521 (5), respectively), leads to a more favorable binding enthalpy (ΔH, kcal/mol) from -4.9 (2) and -7.5 (3) to -6.2 (4) and -14.5 (5), but also a less favorable binding entropy (-TΔS, kcal/mol) from -2.3 (2) and -1.3 (3) to -0.5 (4) and 4.8 (5). Thus, the dissociation constants (Kd, μM) of 4 (11.2) and 5 (0.16) are similar to those of 2 (5.6) and 3 (0.35). Functionally, 4 and 5 potentiated responses of 10 μM L-glutamate at homomeric rat GluA2(Q)i receptors with EC50 values of 67.3 and 2.45 μM, respectively. The binding mode of 5 was examined with x-ray crystallography, showing that the only change compared to that of earlier compounds was the orientation of Ser-497 pointing toward the hydroxyl group of 5. The favorable enthalpy can be explained by the formation of a hydrogen bond from the side-chain hydroxyl group of Ser-497 to the hydroxyl group of 5, whereas the unfavorable entropy might be due to desolvation effects combined with a conformational restriction of Ser-497 and 5. In summary, this study shows a remarkable example of enthalpy-entropy compensation in drug development accompanied with a likely explanation of the underlying structural mechanism. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Global sensitivity analysis for fuzzy inputs based on the decomposition of fuzzy output entropy

NASA Astrophysics Data System (ADS)

Shi, Yan; Lu, Zhenzhou; Zhou, Yicheng

2018-06-01

To analyse the component of fuzzy output entropy, a decomposition method of fuzzy output entropy is first presented. After the decomposition of fuzzy output entropy, the total fuzzy output entropy can be expressed as the sum of the component fuzzy entropy contributed by fuzzy inputs. Based on the decomposition of fuzzy output entropy, a new global sensitivity analysis model is established for measuring the effects of uncertainties of fuzzy inputs on the output. The global sensitivity analysis model can not only tell the importance of fuzzy inputs but also simultaneously reflect the structural composition of the response function to a certain degree. Several examples illustrate the validity of the proposed global sensitivity analysis, which is a significant reference in engineering design and optimization of structural systems.

An Entropy-Based Measure for Assessing Fuzziness in Logistic Regression

PubMed Central

Weiss, Brandi A.; Dardick, William

2015-01-01

This article introduces an entropy-based measure of data–model fit that can be used to assess the quality of logistic regression models. Entropy has previously been used in mixture-modeling to quantify how well individuals are classified into latent classes. The current study proposes the use of entropy for logistic regression models to quantify the quality of classification and separation of group membership. Entropy complements preexisting measures of data–model fit and provides unique information not contained in other measures. Hypothetical data scenarios, an applied example, and Monte Carlo simulation results are used to demonstrate the application of entropy in logistic regression. Entropy should be used in conjunction with other measures of data–model fit to assess how well logistic regression models classify cases into observed categories. PMID:29795897

ECG contamination of EEG signals: effect on entropy.

PubMed

Chakrabarti, Dhritiman; Bansal, Sonia

2016-02-01

Entropy™ is a proprietary algorithm which uses spectral entropy analysis of electroencephalographic (EEG) signals to produce indices which are used as a measure of depth of hypnosis. We describe a report of electrocardiographic (ECG) contamination of EEG signals leading to fluctuating erroneous Entropy values. An explanation is provided for mechanism behind this observation by describing the spread of ECG signals in head and neck and its influence on EEG/Entropy by correlating the observation with the published Entropy algorithm. While the Entropy algorithm has been well conceived, there are still instances in which it can produce erroneous values. Such erroneous values and their cause may be identified by close scrutiny of the EEG waveform if Entropy values seem out of sync with that expected at given anaesthetic levels.

An Entropy-Based Measure for Assessing Fuzziness in Logistic Regression.

PubMed

Weiss, Brandi A; Dardick, William

2016-12-01

This article introduces an entropy-based measure of data-model fit that can be used to assess the quality of logistic regression models. Entropy has previously been used in mixture-modeling to quantify how well individuals are classified into latent classes. The current study proposes the use of entropy for logistic regression models to quantify the quality of classification and separation of group membership. Entropy complements preexisting measures of data-model fit and provides unique information not contained in other measures. Hypothetical data scenarios, an applied example, and Monte Carlo simulation results are used to demonstrate the application of entropy in logistic regression. Entropy should be used in conjunction with other measures of data-model fit to assess how well logistic regression models classify cases into observed categories.

Entropy of isolated quantum systems after a quench.

PubMed

Santos, Lea F; Polkovnikov, Anatoli; Rigol, Marcos

2011-07-22

A diagonal entropy, which depends only on the diagonal elements of the system's density matrix in the energy representation, has been recently introduced as the proper definition of thermodynamic entropy in out-of-equilibrium quantum systems. We study this quantity after an interaction quench in lattice hard-core bosons and spinless fermions, and after a local chemical potential quench in a system of hard-core bosons in a superlattice potential. The former systems have a chaotic regime, where the diagonal entropy becomes equivalent to the equilibrium microcanonical entropy, coinciding with the onset of thermalization. The latter system is integrable. We show that its diagonal entropy is additive and different from the entropy of a generalized Gibbs ensemble, which has been introduced to account for the effects of conserved quantities at integrability.

Clausius entropy for arbitrary bifurcate null surfaces

NASA Astrophysics Data System (ADS)

Baccetti, Valentina; Visser, Matt

2014-02-01

Jacobson’s thermodynamic derivation of the Einstein equations was originally applied only to local Rindler horizons. But at least some parts of that construction can usefully be extended to give meaningful results for arbitrary bifurcate null surfaces. As presaged in Jacobson’s original article, this more general construction sharply brings into focus the questions: is entropy objectively ‘real’? Or is entropy in some sense subjective and observer-dependent? These innocent questions open a Pandora’s box of often inconclusive debate. A consensus opinion, though certainly not universally held, seems to be that Clausius entropy (thermodynamic entropy, defined via a Clausius relation {\\rm{d}}S = \\unicode{x111} Q/T) should be objectively real, but that the ontological status of statistical entropy (Shannon or von Neumann entropy) is much more ambiguous, and much more likely to be observer-dependent. This question is particularly pressing when it comes to understanding Bekenstein entropy (black hole entropy). To perhaps further add to the confusion, we shall argue that even the Clausius entropy can often be observer-dependent. In the current article we shall conclusively demonstrate that one can meaningfully assign a notion of Clausius entropy to arbitrary bifurcate null surfaces—effectively defining a ‘virtual Clausius entropy’ for arbitrary ‘virtual (local) causal horizons’. As an application, we see that we can implement a version of the generalized second law (GSL) for this virtual Clausius entropy. This version of GSL can be related to certain (nonstandard) integral variants of the null energy condition. Because the concepts involved are rather subtle, we take some effort in being careful and explicit in developing our framework. In future work we will apply this construction to generalize Jacobson’s derivation of the Einstein equations.

Noise and complexity in human postural control: interpreting the different estimations of entropy.

PubMed

Rhea, Christopher K; Silver, Tobin A; Hong, S Lee; Ryu, Joong Hyun; Studenka, Breanna E; Hughes, Charmayne M L; Haddad, Jeffrey M

2011-03-17

Over the last two decades, various measures of entropy have been used to examine the complexity of human postural control. In general, entropy measures provide information regarding the health, stability and adaptability of the postural system that is not captured when using more traditional analytical techniques. The purpose of this study was to examine how noise, sampling frequency and time series length influence various measures of entropy when applied to human center of pressure (CoP) data, as well as in synthetic signals with known properties. Such a comparison is necessary to interpret data between and within studies that use different entropy measures, equipment, sampling frequencies or data collection durations. The complexity of synthetic signals with known properties and standing CoP data was calculated using Approximate Entropy (ApEn), Sample Entropy (SampEn) and Recurrence Quantification Analysis Entropy (RQAEn). All signals were examined at varying sampling frequencies and with varying amounts of added noise. Additionally, an increment time series of the original CoP data was examined to remove long-range correlations. Of the three measures examined, ApEn was the least robust to sampling frequency and noise manipulations. Additionally, increased noise led to an increase in SampEn, but a decrease in RQAEn. Thus, noise can yield inconsistent results between the various entropy measures. Finally, the differences between the entropy measures were minimized in the increment CoP data, suggesting that long-range correlations should be removed from CoP data prior to calculating entropy. The various algorithms typically used to quantify the complexity (entropy) of CoP may yield very different results, particularly when sampling frequency and noise are different. The results of this study are discussed within the context of the neural noise and loss of complexity hypotheses.

Time dependence of Hawking radiation entropy

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

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

2013-09-01

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

Quantifying selection and diversity in viruses by entropy methods, with application to the haemagglutinin of H3N2 influenza

PubMed Central

Pan, Keyao; Deem, Michael W.

2011-01-01

Many viruses evolve rapidly. For example, haemagglutinin (HA) of the H3N2 influenza A virus evolves to escape antibody binding. This evolution of the H3N2 virus means that people who have previously been exposed to an influenza strain may be infected by a newly emerged virus. In this paper, we use Shannon entropy and relative entropy to measure the diversity and selection pressure by an antibody in each amino acid site of H3 HA between the 1992–1993 season and the 2009–2010 season. Shannon entropy and relative entropy are two independent state variables that we use to characterize H3N2 evolution. The entropy method estimates future H3N2 evolution and migration using currently available H3 HA sequences. First, we show that the rate of evolution increases with the virus diversity in the current season. The Shannon entropy of the sequence in the current season predicts relative entropy between sequences in the current season and those in the next season. Second, a global migration pattern of H3N2 is assembled by comparing the relative entropy flows of sequences sampled in China, Japan, the USA and Europe. We verify this entropy method by describing two aspects of historical H3N2 evolution. First, we identify 54 amino acid sites in HA that have evolved in the past to evade the immune system. Second, the entropy method shows that epitopes A and B on the top of HA evolve most vigorously to escape antibody binding. Our work provides a novel entropy-based method to predict and quantify future H3N2 evolution and to describe the evolutionary history of H3N2. PMID:21543352

Maximum entropy production principle for geostrophic turbulence

NASA Astrophysics Data System (ADS)

Sommeria, J.; Bouchet, F.; Chavanis, P. H.

2003-04-01

In 2D turbulence, complex stirring leads to the formation of steady organized states, once fine scale fluctuations have been filtered out. This self-organization can be explained in terms of statistical equilibrium for vorticity, as the most likely outcome of vorticity parcel rearrangements with the constraints of the conservation laws. A mixing entropy describing the vorticity rearrangements is introduced. Extension to the shallow water system has been proposed by Chavanis P.H. and Sommeria J. (2002), Phys. Rev. E. Generalization to multi-layer geostrophic flows is formally straightforward. Outside equilibrium, eddy fluxes should drive the system toward equilibrium, in the spirit of non equilibrium linear thermodynamics. This can been formalized in terms of a principle of maximum entropy production (MEP), as shown by Robert and Sommeria (1991), Phys. Rev. Lett. 69. Then a parameterization of eddy fluxes is obtained, involving an eddy diffusivity plus a drift term acting at larger scale. These two terms balance each other at equilibrium, resulting in a non trivial steady flow, which is the mean state of the statistical equilibrium. Applications of this eddy parametrization will be presented, in the context of oceanic circulation and Jupiter's Great Red Spot. Quantitative tests will be discussed, obtained by comparisons with direct numerical simulations. Kinetic models, inspired from plasma physics, provide a more precise description of the relaxation toward equilibrium, as shown by Chavanis P.H. 2000 ``Quasilinear theory of the 2D Euler equation'', Phys. Rev. Lett. 84. This approach provides relaxation equations with a form similar to the MEP, but not identical. In conclusion, the MEP provides the right trends of the system but its precise justification remains elusive.

Hydration Differences Explain the Large Variations in the Complexation Thermodynamics of Modified γ-Cyclodextrins with Bile Salts.

PubMed

Køhler, Jonatan; Schönbeck, Christian; Westh, Peter; Holm, René

2016-01-28

The structure and thermodynamics of inclusion complexes of seven different γ-cyclodextrins (γCDs) and three biologically relevant bile salts (BS) were investigated in the present study. Natural γCD and six modified γCDs [two methyl-γCDs, one sulfobutyl ether-γCD (SBEγCD), and three 2-hydroxypropyl-γCDs (HPγCD)] and their complexes with BS were investigated by isothermal titration calorimetry, NMR, and molecular dynamics simulations. With the exception of the fully methylated γCD, which did not bind the BSs investigated, all of the γCDs formed 1:1 complexes with the BS, and the structures were similar to those with natural γCD; i.e., the modifications of the γCD had limited structural impact on the formation of complexes. Isothermal titration calorimetry was carried out over in the temperature interval 5-55 °C to enable the calculation of the stability constant (K) and the thermodynamic parameters enthalpy (ΔH°), entropy (ΔS°), and heat capacity (ΔCp°). The stability constants decreased with an increased degree of substitution (DS), with methyl substituents having a lower effect on the stability constant than the sulfobutyl ether and hydroxypropyl substituents on the stability constants. Enthalpy-entropy compensation was observed, since both enthalpy and entropy increased with the degree of substitution, which may reflect dehydration of the hydrophobic surface on both CD and BS. Calculations based on ΔCp° data suggested that each of the substituents dehydrated 10-20 (hydroxypropyl), 22-33 (sulfobutyl ether), and 10-15 Å(2) (methyl) of the BS surface area, in reasonable agreement with estimates from the molecular dynamics simulations. Combined with earlier investigations on modified βCDs, these results indicate general trends of the substituents on the thermodynamics of complex formation.

Microstructural investigation of plastically deformed Ti{sub 20}Zr{sub 20}Hf{sub 20}Nb{sub 20}Ta{sub 20} high entropy alloy by X-ray diffraction and transmission electron microscopy

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

Dirras, G., E-mail: dirras@univ-paris13.fr; Gubicza, J.; Heczel, A.

2015-10-15

The microstructure evolution in body-centered cubic (bcc) Ti{sub 20}Zr{sub 20}Hf{sub 20}Nb{sub 20}Ta{sub 20} high entropy alloy during quasi-static compression test was studied by X-ray line profile analysis (XLPA) and transmission electron microscopy (TEM). The average lattice constant and other important parameters of the microstructure such as the mean crystallite size, the dislocation density and the edge/screw character of dislocations were determined by XLPA. The elastic anisotropy factor required for XLPA procedure was determined by nanoindentation. XLPA shows that the crystallite size decreased while the dislocation density increased with strain during compression, and their values reached about 39 nm and 15more » × 10{sup 14} m{sup −2}, respectively, at a plastic strain of ~ 20%. It was revealed that with increasing strain the dislocation character became more screw. This can be explained by the reduced mobility of screw dislocations compared to edge dislocations in bcc structures. These observations are in line with TEM investigations. The development of dislocation density during compression was related to the yield strength evolution. - Highlights: • Ti{sub 20}Zr{sub 20}Hf{sub 20}Nb{sub 20}Ta{sub 20} high entropy alloy was processed by arc-melting. • The mechanical was evaluated by RT compression test. • The microstructure evolution was studied by XLPA and TEM. • With increasing strain the dislocation character became more screw. • The yield strength was related to the development of the dislocation density.« less

Dietary diversity and adiposity in Chinese men and women: an analysis of four waves of cross-sectional survey data.

PubMed

Tian, X; Wu, M; Zang, J; Zhu, Y; Wang, H

2017-04-01

Increasing dietary diversity is concurrent with an increasing prevalence of adiposity in China, but the association between these variables remains ambiguous. This study reveals an association between dietary diversity and body mass (underweight, overweight and obesity) in Chinese adults. Data from 17 825 participants (age, 18-65 years) were pooled from four survey waves (2004, 2006, 2009 and 2011) of the Chinese Health and Nutrition Survey. Anthropometric data and dietary intake information obtained through a 24-h dietary recall for 3 consecutive days were collected. Information on covariates, namely those regarding the socioeconomic status and lifestyle of each participant, were collected. The dietary diversity score (DDS) and entropy were used to represent dietary diversity. The association between dietary diversity and adiposity was analyzed by using multivariable-adjusted multinomial logistic regression. A positive association between dietary diversity and overweight was detected only in men (DDS: OR=1.09 (1.03-1.17); entropy: OR=1.60 (1.24-2.07)). The results were confirmed by analyzing the interaction between sex and diversity (DDS: OR=1.27 (1.17-1.37); entropy: OR=2.89 (2.11-3.89)). In contrast, no significant association was detected between dietary diversity and underweight/obesity (all P>0.05). Dietary consumption was compared between sexes to explain the different effects of dietary diversity on body mass in men and women. The results indicated that men typically had a higher consumption of meat (P<0.01). Higher dietary diversity is positively associated with overweight in men. Additional preventive strategies that promote a healthy diet should focus on men.

Configurational Entropy Approach to the Kinetics of Glasses

PubMed Central

Di Marzio, Edmund A.; Yang, Arthur J. M.

1997-01-01

A kinetic theory of glasses is developed using equilibrium theory as a foundation. After establishing basic criteria for glass formation and the capability of the equilibrium entropy theory to describe the equilibrium aspects of glass formation, a minimal model for the glass kinetics is proposed. Our kinetic model is based on a trapping description of particle motion in which escapes from deep wells provide the rate-determining steps for motion. The formula derived for the zero frequency viscosity η (0,T) is log η (0,T) = B − AF(T)kT where F is the free energy and T the temperature. Contrast this to the Vogel-Fulcher law log η (0,T) = B + A/(T − Tc). A notable feature of our description is that even though the location of the equilibrium second-order transition in temperature-pressure space is given by the break in the entropy or volume curves the viscosity and its derivative are continuous through the transition. The new expression for η (0,T) has no singularity at a critical temperature Tc as in the Vogel-Fulcher law and the behavior reduces to the Arrhenius form in the glass region. Our formula for η (0,T) is discussed in the context of the concepts of strong and fragile glasses, and the experimentally observed connection of specific heat to relaxation response in a homologous series of polydimethylsiloxane is explained. The frequency and temperature dependencies of the complex viscosity η (ω< T), the diffusion coefficient D(ω< T), and the dielectric response ε (ω< T) are also obtained for our kinetic model and found to be consistent with stretched exponential behavior. PMID:27805133

Cosmological Entropy Bounds

NASA Astrophysics Data System (ADS)

Brustein, R.

I review some basic facts about entropy bounds in general and about cosmological entropy bounds. Then I review the causal entropy bound, the conditions for its validity and its application to the study of cosmological singularities. This article is based on joint work with Gabriele Veneziano and subsequent related research.

Time evolution of Rényi entropy under the Lindblad equation.

PubMed

Abe, Sumiyoshi

2016-08-01

In recent years, the Rényi entropy has repeatedly been discussed for characterization of quantum critical states and entanglement. Here, time evolution of the Rényi entropy is studied. A compact general formula is presented for the lower bound on the entropy rate.

Rogue waves and entropy consumption

NASA Astrophysics Data System (ADS)

Hadjihoseini, Ali; Lind, Pedro G.; Mori, Nobuhito; Hoffmann, Norbert P.; Peinke, Joachim

2017-11-01

Based on data from the Sea of Japan and the North Sea the occurrence of rogue waves is analyzed by a scale-dependent stochastic approach, which interlinks fluctuations of waves for different spacings. With this approach we are able to determine a stochastic cascade process, which provides information of the general multipoint statistics. Furthermore the evolution of single trajectories in scale, which characterize wave height fluctuations in the surroundings of a chosen location, can be determined. The explicit knowledge of the stochastic process enables to assign entropy values to all wave events. We show that for these entropies the integral fluctuation theorem, a basic law of non-equilibrium thermodynamics, is valid. This implies that positive and negative entropy events must occur. Extreme events like rogue waves are characterized as negative entropy events. The statistics of these entropy fluctuations changes with the wave state, thus for the Sea of Japan the statistics of the entropies has a more pronounced tail for negative entropy values, indicating a higher probability of rogue waves.