Sustaining Action and Optimizing Entropy: Coupling Efficiency for Energy and the Sustainability of Global Ecosystems

ERIC Educational Resources Information Center

Rose, Michael T.; Crossan, Angus N.; Kennedy, Ivan R.

2008-01-01

Consideration of the property of action is proposed to provide a more meaningful definition of efficient energy use and sustainable production in ecosystems. Action has physical dimensions similar to angular momentum, its magnitude varying with mass, spatial configuration and relative motion. In this article, the relationship of action to…

Batteries for efficient energy extraction from a water salinity difference.

PubMed

La Mantia, Fabio; Pasta, Mauro; Deshazer, Heather D; Logan, Bruce E; Cui, Yi

2011-04-13

The salinity difference between seawater and river water is a renewable source of enormous entropic energy, but extracting it efficiently as a form of useful energy remains a challenge. Here we demonstrate a device called "mixing entropy battery", which can extract and store it as useful electrochemical energy. The battery, containing a Na(2-x)Mn(5)O(10) nanorod electrode, was shown to extract energy from real seawater and river water and can be applied to a variety of salt waters. We demonstrated energy extraction efficiencies of up to 74%. Considering the flow rate of river water into oceans as the limiting factor, the renewable energy production could potentially reach 2 TW, or ∼13% of the current world energy consumption. The mixing entropy battery is simple to fabricate and could contribute significantly to renewable energy in the future.

Coupled-Double-Quantum-Dot Environmental Information Engines: A Numerical Analysis

NASA Astrophysics Data System (ADS)

Tanabe, Katsuaki

2016-06-01

We conduct numerical simulations for an autonomous information engine comprising a set of coupled double quantum dots using a simple model. The steady-state entropy production rate in each component, heat and electron transfer rates are calculated via the probability distribution of the four electronic states from the master transition-rate equations. We define an information-engine efficiency based on the entropy change of the reservoir, implicating power generators that employ the environmental order as a new energy resource. We acquire device-design principles, toward the realization of corresponding practical energy converters, including that (1) higher energy levels of the detector-side reservoir than those of the detector dot provide significantly higher work production rates by faster states' circulation, (2) the efficiency is strongly dependent on the relative temperatures of the detector and system sides and becomes high in a particular Coulomb-interaction strength region between the quantum dots, and (3) the efficiency depends little on the system dot's energy level relative to its reservoir but largely on the antisymmetric relative amplitudes of the electronic tunneling rates.

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.

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

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.

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.

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

NASA Astrophysics Data System (ADS)

Neri, Izaak; Roldán, Édgar; Jülicher, Frank

2017-01-01

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

Comment on: The cancer Warburg effect may be a testable example of the minimum entropy production rate principle.

PubMed

Sadeghi Ghuchani, Mostafa

2018-02-08

This comment argues against the view that cancer cells produce less entropy than normal cells as stated in a recent paper by Marín and Sabater. The basic principle of estimation of entropy production rate in a living cell is discussed, emphasizing the fact that entropy production depends on both the amount of heat exchange during the metabolism and the entropy difference between products and substrates.

Comment on: The cancer Warburg effect may be a testable example of the minimum entropy production rate principle

NASA Astrophysics Data System (ADS)

Sadeghi Ghuchani, Mostafa

2018-03-01

This comment argues against the view that cancer cells produce less entropy than normal cells as stated in a recent paper by Marín and Sabater. The basic principle of estimation of entropy production rate in a living cell is discussed, emphasizing the fact that entropy production depends on both the amount of heat exchange during the metabolism and the entropy difference between products and substrates.

Thermodynamics of photon-enhanced thermionic emission solar cells

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

Reck, Kasper, E-mail: kasper.reck@nanotech.dtu.dk; Hansen, Ole, E-mail: ole.hansen@nanotech.dtu.dk; CINF Center for Individual Nanoparticle Functionality, Technical University of Denmark, Kgs. Lyngby 2800

2014-01-13

Photon-enhanced thermionic emission (PETE) cells in which direct photon energy as well as thermal energy can be harvested have recently been suggested as a new candidate for high efficiency solar cells. Here, we present an analytic thermodynamical model for evaluation of the efficiency of PETE solar cells including an analysis of the entropy production due to thermionic emission of general validity. The model is applied to find the maximum efficiency of a PETE cell for given cathode and anode work functions and temperatures.

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

PubMed

Meysman, Filip J R; Bruers, Stijn

2010-05-12

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

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

PubMed

Ross, John; Vlad, Marcel O

2005-11-24

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

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Interaction Entropy: A New Paradigm for Highly Efficient and Reliable Computation of Protein-Ligand Binding Free Energy.

PubMed

Duan, Lili; Liu, Xiao; Zhang, John Z H

2016-05-04

Efficient and reliable calculation of protein-ligand binding free energy is a grand challenge in computational biology and is of critical importance in drug design and many other molecular recognition problems. The main challenge lies in the calculation of entropic contribution to protein-ligand binding or interaction systems. In this report, we present a new interaction entropy method which is theoretically rigorous, computationally efficient, and numerically reliable for calculating entropic contribution to free energy in protein-ligand binding and other interaction processes. Drastically different from the widely employed but extremely expensive normal mode method for calculating entropy change in protein-ligand binding, the new method calculates the entropic component (interaction entropy or -TΔS) of the binding free energy directly from molecular dynamics simulation without any extra computational cost. Extensive study of over a dozen randomly selected protein-ligand binding systems demonstrated that this interaction entropy method is both computationally efficient and numerically reliable and is vastly superior to the standard normal mode approach. This interaction entropy paradigm introduces a novel and intuitive conceptual understanding of the entropic effect in protein-ligand binding and other general interaction systems as well as a practical method for highly efficient calculation of this effect.

Entropy Production in Chemical Reactors

NASA Astrophysics Data System (ADS)

Kingston, Diego; Razzitte, Adrián C.

2017-06-01

We have analyzed entropy production in chemically reacting systems and extended previous results to the two limiting cases of ideal reactors, namely continuous stirred tank reactor (CSTR) and plug flow reactor (PFR). We have found upper and lower bounds for the entropy production in isothermal systems and given expressions for non-isothermal operation and analyzed the influence of pressure and temperature in entropy generation minimization in reactors with a fixed volume and production. We also give a graphical picture of entropy production in chemical reactions subject to constant volume, which allows us to easily assess different options. We show that by dividing a reactor into two smaller ones, operating at different temperatures, the entropy production is lowered, going as near as 48 % less in the case of a CSTR and PFR in series, and reaching 58 % with two CSTR. Finally, we study the optimal pressure and temperature for a single isothermal PFR, taking into account the irreversibility introduced by a compressor and a heat exchanger, decreasing the entropy generation by as much as 30 %.

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

NASA Astrophysics Data System (ADS)

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

2011-05-01

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

Entropy, non-linearity and hierarchy in ecosystems

NASA Astrophysics Data System (ADS)

Addiscott, T.

2009-04-01

Soil-plant systems are open systems thermodynamically because they exchange both energy and matter with their surroundings. Thus they are properly described by the second and third of the three stages of thermodynamics defined by Prigogine and Stengers (1984). The second stage describes a system in which the flow is linearly related to the force. Such a system tends towards a steady state in which entropy production is minimized, but it depends on the capacity of the system for self-organization. In a third stage system, flow is non-linearly related to force, and the system can move far from equilibrium. This system maximizes entropy production but in so doing facilitates self-organization. The second stage system was suggested earlier to provide a useful analogue of the behaviour of natural and agricultural ecosystems subjected to perturbations, but it needs the capacity for self-organization. Considering an ecosystem as a hierarchy suggests this capacity is provided by the soil population, which releases from dead plant matter nutrients such as nitrate, phosphate and captions needed for growth of new plants and the renewal of the whole ecosystem. This release of small molecules from macromolecules increases entropy, and the soil population maximizes entropy production by releasing nutrients and carbon dioxide as vigorously as conditions allow. In so doing it behaves as a third stage thermodynamic system. Other authors (Schneider and Kay, 1994, 1995) consider that it is in the plants in an ecosystem that maximize entropy, mainly through transpiration, but studies on transpiration efficiency suggest that this is questionable. Prigogine, I. & Stengers, I. 1984. Order out of chaos. Bantam Books, Toronto. Schneider, E.D. & Kay, J.J. 1994. Life as a manifestation of the Second Law of Thermodynamics. Mathematical & Computer Modelling, 19, 25-48. Schneider, E.D. & Kay, J.J. 1995. Order from disorder: The Thermodynamics of Complexity in Biology. In: What is Life: the Next Fifty Years (eds. M.P. Murphy & L.A.J. O'Neill), pp. 161-172, Cambridge University Press, Cambridge.

Irreversibility and entropy production in transport phenomena, III—Principle of minimum integrated entropy production including nonlinear responses

NASA Astrophysics Data System (ADS)

Suzuki, Masuo

2013-01-01

A new variational principle of steady states is found by introducing an integrated type of energy dissipation (or entropy production) instead of instantaneous energy dissipation. This new principle is valid both in linear and nonlinear transport phenomena. Prigogine’s dream has now been realized by this new general principle of minimum “integrated” entropy production (or energy dissipation). This new principle does not contradict with the Onsager-Prigogine principle of minimum instantaneous entropy production in the linear regime, but it is conceptually different from the latter which does not hold in the nonlinear regime. Applications of this theory to electric conduction, heat conduction, particle diffusion and chemical reactions are presented. The irreversibility (or positive entropy production) and long time tail problem in Kubo’s formula are also discussed in the Introduction and last section. This constitutes the complementary explanation of our theory of entropy production given in the previous papers (M. Suzuki, Physica A 390 (2011) 1904 and M. Suzuki, Physica A 391 (2012) 1074) and has given the motivation of the present investigation of variational principle.

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.

Increased temperature and entropy production in cancer: the role of anti-inflammatory drugs.

PubMed

Pitt, Michael A

2015-02-01

Some cancers have been shown to have a higher temperature than surrounding normal tissue. This higher temperature is due to heat generated internally in the cancer. The higher temperature of cancer (compared to surrounding tissue) enables a thermodynamic analysis to be carried out. Here I show that there is increased entropy production in cancer compared with surrounding tissue. This is termed excess entropy production. The excess entropy production is expressed in terms of heat flow from the cancer to surrounding tissue and enzymic reactions in the cancer and surrounding tissue. The excess entropy production in cancer drives it away from the stationary state that is characterised by minimum entropy production. Treatments that reduce inflammation (and therefore temperature) should drive a cancer towards the stationary state. Anti-inflammatory agents, such as aspirin, other non-steroidal anti-inflammatory drugs, corticosteroids and also thyroxine analogues have been shown (using various criteria) to reduce the progress of cancer.

An efficient algorithm for automatic phase correction of NMR spectra based on entropy minimization

NASA Astrophysics Data System (ADS)

Chen, Li; Weng, Zhiqiang; Goh, LaiYoong; Garland, Marc

2002-09-01

A new algorithm for automatic phase correction of NMR spectra based on entropy minimization is proposed. The optimal zero-order and first-order phase corrections for a NMR spectrum are determined by minimizing entropy. The objective function is constructed using a Shannon-type information entropy measure. Entropy is defined as the normalized derivative of the NMR spectral data. The algorithm has been successfully applied to experimental 1H NMR spectra. The results of automatic phase correction are found to be comparable to, or perhaps better than, manual phase correction. The advantages of this automatic phase correction algorithm include its simple mathematical basis and the straightforward, reproducible, and efficient optimization procedure. The algorithm is implemented in the Matlab program ACME—Automated phase Correction based on Minimization of Entropy.

Entropy production in a photovoltaic cell

NASA Astrophysics Data System (ADS)

Ansari, Mohammad H.

2017-05-01

We evaluate entropy production in a photovoltaic cell that is modeled by four electronic levels resonantly coupled to thermally populated field modes at different temperatures. We use a formalism recently proposed, the so-called multiple parallel worlds, to consistently address the nonlinearity of entropy in terms of density matrix. Our result shows that entropy production is the difference between two flows: a semiclassical flow that linearly depends on occupational probabilities, and another flow that depends nonlinearly on quantum coherence and has no semiclassical analog. We show that entropy production in the cells depends on environmentally induced decoherence time and energy detuning. We characterize regimes where reversal flow of information takes place from a cold to hot bath. Interestingly, we identify a lower bound on entropy production, which sets limitations on the statistics of dissipated heat in the cells.

Nonequilibrium Thermodynamics in Biological Systems

NASA Astrophysics Data System (ADS)

Aoki, I.

2005-12-01

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

Gradient Dynamics and Entropy Production Maximization

NASA Astrophysics Data System (ADS)

Janečka, Adam; Pavelka, Michal

2018-01-01

We compare two methods for modeling dissipative processes, namely gradient dynamics and entropy production maximization. Both methods require similar physical inputs-how energy (or entropy) is stored and how it is dissipated. Gradient dynamics describes irreversible evolution by means of dissipation potential and entropy, it automatically satisfies Onsager reciprocal relations as well as their nonlinear generalization (Maxwell-Onsager relations), and it has statistical interpretation. Entropy production maximization is based on knowledge of free energy (or another thermodynamic potential) and entropy production. It also leads to the linear Onsager reciprocal relations and it has proven successful in thermodynamics of complex materials. Both methods are thermodynamically sound as they ensure approach to equilibrium, and we compare them and discuss their advantages and shortcomings. In particular, conditions under which the two approaches coincide and are capable of providing the same constitutive relations are identified. Besides, a commonly used but not often mentioned step in the entropy production maximization is pinpointed and the condition of incompressibility is incorporated into gradient dynamics.

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.

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 Role of the Total Entropy Production in the Dynamics of Open Quantum Systems in Detection of Non-Markovianity

NASA Astrophysics Data System (ADS)

Salimi, S.; Haseli, S.; Khorashad, A. S.; Adabi, F.

2016-09-01

The interaction between system and environment is a fundamental concept in the theory of open quantum systems. As a result of the interaction, an amount of correlation (both classical and quantum) emerges between the system and the environment. In this work, we recall the quantity that will be very useful to describe the emergence of the correlation between the system and the environment, namely, the total entropy production. Appearance of total entropy production is due to the entanglement production between the system and the environment. In this work, we discuss about the role of the total entropy production for detecting the non-Markovianity. By utilizing the relation between the total entropy production and total correlation between subsystems, one can see a temporary decrease of total entropy production is a signature of non-Markovianity. We apply our criterion for the special case, where the composite system has initial correlation with environment.

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

PubMed

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

2010-05-12

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

The cancer Warburg effect may be a testable example of the minimum entropy production rate principle

NASA Astrophysics Data System (ADS)

Marín, Dolores; Sabater, Bartolomé

2017-04-01

Cancer cells consume more glucose by glycolytic fermentation to lactate than by respiration, a characteristic known as the Warburg effect. In contrast with the 36 moles of ATP produced by respiration, fermentation produces two moles of ATP per mole of glucose consumed, which poses a puzzle with regard to the function of the Warburg effect. The production of free energy (ΔG), enthalpy (ΔH), and entropy (ΔS) per mole linearly varies with the fraction (x) of glucose consumed by fermentation that is frequently estimated around 0.9. Hence, calculation shows that, in respect to pure respiration, the predominant fermentative metabolism decreases around 10% the production of entropy per mole of glucose consumed in cancer cells. We hypothesize that increased fermentation could allow cancer cells to accomplish the Prigogine theorem of the trend to minimize the rate of production of entropy. According to the theorem, open cellular systems near the steady state could evolve to minimize the rates of entropy production that may be reached by modified replicating cells producing entropy at a low rate. Remarkably, at CO2 concentrations above 930 ppm, glucose respiration produces less entropy than fermentation, which suggests experimental tests to validate the hypothesis of minimization of the rate of entropy production through the Warburg effect.

The cancer Warburg effect may be a testable example of the minimum entropy production rate principle.

PubMed

Marín, Dolores; Sabater, Bartolomé

2017-04-28

Cancer cells consume more glucose by glycolytic fermentation to lactate than by respiration, a characteristic known as the Warburg effect. In contrast with the 36 moles of ATP produced by respiration, fermentation produces two moles of ATP per mole of glucose consumed, which poses a puzzle with regard to the function of the Warburg effect. The production of free energy (ΔG), enthalpy (ΔH), and entropy (ΔS) per mole linearly varies with the fraction (x) of glucose consumed by fermentation that is frequently estimated around 0.9. Hence, calculation shows that, in respect to pure respiration, the predominant fermentative metabolism decreases around 10% the production of entropy per mole of glucose consumed in cancer cells. We hypothesize that increased fermentation could allow cancer cells to accomplish the Prigogine theorem of the trend to minimize the rate of production of entropy. According to the theorem, open cellular systems near the steady state could evolve to minimize the rates of entropy production that may be reached by modified replicating cells producing entropy at a low rate. Remarkably, at CO 2 concentrations above 930 ppm, glucose respiration produces less entropy than fermentation, which suggests experimental tests to validate the hypothesis of minimization of the rate of entropy production through the Warburg effect.

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.

Is the catalytic activity of triosephosphate isomerase fully optimized? An investigation based on maximization of entropy production.

PubMed

Bonačić Lošić, Željana; Donđivić, Tomislav; Juretić, Davor

2017-03-01

Triosephosphate isomerase (TIM) is often described as a fully evolved housekeeping enzyme with near-maximal possible reaction rate. The assumption that an enzyme is perfectly evolved has not been easy to confirm or refute. In this paper, we use maximization of entropy production within known constraints to examine this assumption by calculating steady-state cyclic flux, corresponding entropy production, and catalytic activity in a reversible four-state scheme of TIM functional states. The maximal entropy production (MaxEP) requirement for any of the first three transitions between TIM functional states leads to decreased total entropy production. Only the MaxEP requirement for the product (R-glyceraldehyde-3-phosphate) release step led to a 30% increase in enzyme activity, specificity constant k cat /K M , and overall entropy production. The product release step, due to the TIM molecular machine working in the physiological direction of glycolysis, has not been identified before as the rate-limiting step by using irreversible thermodynamics. Together with structural studies, our results open the possibility for finding amino acid substitutions leading to an increased frequency of loop six opening and product release.

Entropy production and nonlinear Fokker-Planck equations.

PubMed

Casas, G A; Nobre, F D; Curado, E M F

2012-12-01

The entropy time rate of systems described by nonlinear Fokker-Planck equations--which are directly related to generalized entropic forms--is analyzed. Both entropy production, associated with irreversible processes, and entropy flux from the system to its surroundings are studied. Some examples of known generalized entropic forms are considered, and particularly, the flux and production of the Boltzmann-Gibbs entropy, obtained from the linear Fokker-Planck equation, are recovered as particular cases. Since nonlinear Fokker-Planck equations are appropriate for the dynamical behavior of several physical phenomena in nature, like many within the realm of complex systems, the present analysis should be applicable to irreversible processes in a large class of nonlinear systems, such as those described by Tsallis and Kaniadakis entropies.

Scaling of the entropy budget with surface temperature in radiative-convective equilibrium

NASA Astrophysics Data System (ADS)

Singh, Martin S.; O'Gorman, Paul A.

2016-09-01

The entropy budget of the atmosphere is examined in simulations of radiative-convective equilibrium with a cloud-system resolving model over a wide range of surface temperatures from 281 to 311 K. Irreversible phase changes and the diffusion of water vapor account for more than half of the irreversible entropy production within the atmosphere, even in the coldest simulation. As the surface temperature is increased, the atmospheric radiative cooling rate increases, driving a greater entropy sink that must be matched by greater irreversible entropy production. The entropy production resulting from irreversible moist processes increases at a similar fractional rate as the entropy sink and at a lower rate than that implied by Clausius-Clapeyron scaling. This allows the entropy production from frictional drag on hydrometeors and on the atmospheric flow to also increase with warming, in contrast to recent results for simulations with global climate models in which the work output decreases with warming. A set of approximate scaling relations is introduced for the terms in the entropy budget as the surface temperature is varied, and many of the terms are found to scale with the mean surface precipitation rate. The entropy budget provides some insight into changes in frictional dissipation in response to warming or changes in model resolution, but it is argued that frictional dissipation is not closely linked to other measures of convective vigor.

Spin-phase-space-entropy production

NASA Astrophysics Data System (ADS)

Santos, Jader P.; Céleri, Lucas C.; Brito, Frederico; Landi, Gabriel T.; Paternostro, Mauro

2018-05-01

Quantifying the degree of irreversibility of an open system dynamics represents a problem of both fundamental and applied relevance. Even though a well-known framework exists for thermal baths, the results give diverging results in the limit of zero temperature and are also not readily extended to nonequilibrium reservoirs, such as dephasing baths. Aimed at filling this gap, in this paper we introduce a phase-space-entropy production framework for quantifying the irreversibility of spin systems undergoing Lindblad dynamics. The theory is based on the spin Husimi-Q function and its corresponding phase-space entropy, known as Wehrl entropy. Unlike the von Neumann entropy production rate, we show that in our framework, the Wehrl entropy production rate remains valid at any temperature and is also readily extended to arbitrary nonequilibrium baths. As an application, we discuss the irreversibility associated with the interaction of a two-level system with a single-photon pulse, a problem which cannot be treated using the conventional approach.

Natural entropy production in an inflationary model for a polarized vacuum

NASA Astrophysics Data System (ADS)

Berman, Marcelo Samuel; Som, Murari M.

2007-08-01

Though entropy production is forbidden in standard FRW Cosmology, Berman and Som presented a simple inflationary model where entropy production by bulk viscosity, during standard inflation without ad hoc pressure terms can be accommodated with Robertson Walker’s metric, so the requirement that the early Universe be anisotropic is not essential in order to have entropy growth during inflationary phase, as we show. Entropy also grows due to shear viscosity, for the anisotropic case. The intrinsically inflationary metric that we propose can be thought of as defining a polarized vacuum, and leads directly to the desired effects without the need of introducing extra pressure terms.

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

NASA Astrophysics Data System (ADS)

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

2012-04-01

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

Credit market Jitters in the course of the financial crisis: A permutation entropy approach in measuring informational efficiency in financial assets

NASA Astrophysics Data System (ADS)

Siokis, Fotios M.

2018-06-01

We explore the evolution of the informational efficiency for specific instruments of the U.S. money, bond and stock exchange markets, prior and after the outbreak of the Great Recession. We utilize the permutation entropy and the complexity-entropy causality plane to rank the time series and measure the degree of informational efficiency. We find that after the credit crunch and the collapse of Lehman Brothers the efficiency level of specific money market instruments' yield falls considerably. This is an evidence of less uncertainty included in predicting the related yields throughout the financial disarray. Similar trend is depicted in the indices of the stock exchange markets but efficiency remains in much higher levels. On the other hand, bond market instruments maintained their efficiency levels even after the outbreak of the crisis, which could be interpreted into greater randomness and less predictability of their yields.

Production of Entanglement Entropy by Decoherence

NASA Astrophysics Data System (ADS)

Merkli, M.; Berman, G. P.; Sayre, R. T.; Wang, X.; Nesterov, A. I.

We examine the dynamics of entanglement entropy of all parts in an open system consisting of a two-level dimer interacting with an environment of oscillators. The dimer-environment interaction is almost energy conserving. We find the precise link between decoherence and production of entanglement entropy. We show that not all environment oscillators carry significant entanglement entropy and we identify the oscillator frequency regions which contribute to the production of entanglement entropy. For energy conserving dimer-environment interactions the models are explicitly solvable and our results hold for all dimer-environment coupling strengths. We carry out a mathematically rigorous perturbation theory around the energy conserving situation in the presence of small non-energy conserving interactions.

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

PubMed Central

Volk, Tyler; Pauluis, Olivier

2010-01-01

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

Information criteria for quantifying loss of reversibility in parallelized KMC

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

Gourgoulias, Konstantinos, E-mail: gourgoul@math.umass.edu; Katsoulakis, Markos A., E-mail: markos@math.umass.edu; Rey-Bellet, Luc, E-mail: luc@math.umass.edu

Parallel Kinetic Monte Carlo (KMC) is a potent tool to simulate stochastic particle systems efficiently. However, despite literature on quantifying domain decomposition errors of the particle system for this class of algorithms in the short and in the long time regime, no study yet explores and quantifies the loss of time-reversibility in Parallel KMC. Inspired by concepts from non-equilibrium statistical mechanics, we propose the entropy production per unit time, or entropy production rate, given in terms of an observable and a corresponding estimator, as a metric that quantifies the loss of reversibility. Typically, this is a quantity that cannot bemore » computed explicitly for Parallel KMC, which is why we develop a posteriori estimators that have good scaling properties with respect to the size of the system. Through these estimators, we can connect the different parameters of the scheme, such as the communication time step of the parallelization, the choice of the domain decomposition, and the computational schedule, with its performance in controlling the loss of reversibility. From this point of view, the entropy production rate can be seen both as an information criterion to compare the reversibility of different parallel schemes and as a tool to diagnose reversibility issues with a particular scheme. As a demonstration, we use Sandia Lab's SPPARKS software to compare different parallelization schemes and different domain (lattice) decompositions.« less

Information criteria for quantifying loss of reversibility in parallelized KMC

NASA Astrophysics Data System (ADS)

Gourgoulias, Konstantinos; Katsoulakis, Markos A.; Rey-Bellet, Luc

2017-01-01

Parallel Kinetic Monte Carlo (KMC) is a potent tool to simulate stochastic particle systems efficiently. However, despite literature on quantifying domain decomposition errors of the particle system for this class of algorithms in the short and in the long time regime, no study yet explores and quantifies the loss of time-reversibility in Parallel KMC. Inspired by concepts from non-equilibrium statistical mechanics, we propose the entropy production per unit time, or entropy production rate, given in terms of an observable and a corresponding estimator, as a metric that quantifies the loss of reversibility. Typically, this is a quantity that cannot be computed explicitly for Parallel KMC, which is why we develop a posteriori estimators that have good scaling properties with respect to the size of the system. Through these estimators, we can connect the different parameters of the scheme, such as the communication time step of the parallelization, the choice of the domain decomposition, and the computational schedule, with its performance in controlling the loss of reversibility. From this point of view, the entropy production rate can be seen both as an information criterion to compare the reversibility of different parallel schemes and as a tool to diagnose reversibility issues with a particular scheme. As a demonstration, we use Sandia Lab's SPPARKS software to compare different parallelization schemes and different domain (lattice) decompositions.

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

Treesearch

M.C. Westhoff; E. Zehe

2013-01-01

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

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.

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.

The maximum entropy production principle: two basic questions.

PubMed

Martyushev, Leonid M

2010-05-12

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

Entropy production during hadronization of a quark-gluon plasma

NASA Astrophysics Data System (ADS)

Biró, Tamás S.; Schram, Zsolt; Jenkovszky, László

2018-02-01

We revisit some physical pictures for the hadronization of quark-gluon plasma, concentrating on the problem of entropy production during processes where the number of degrees of freedom is seemingly reduced due to color confinement. Based on observations on Regge trajectories we propose not having an infinite tower of hadronic resonances. We discuss possible entropy production mechanisms far from equilibrium in terms of stochastic dynamics.

Energy conservation and maximal entropy production in enzyme reactions.

PubMed

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

2017-08-01

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

Simulation study of entropy production in the one-dimensional Vlasov system

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

Dai, Zongliang, E-mail: liangliang1223@gmail.com; Wang, Shaojie

2016-07-15

The coarse-grain averaged distribution function of the one-dimensional Vlasov system is obtained by numerical simulation. The entropy productions in cases of the random field, the linear Landau damping, and the bump-on-tail instability are computed with the coarse-grain averaged distribution function. The computed entropy production is converged with increasing length of coarse-grain average. When the distribution function differs slightly from a Maxwellian distribution, the converged value agrees with the result computed by using the definition of thermodynamic entropy. The length of the coarse-grain average to compute the coarse-grain averaged distribution function is discussed.

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

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

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

2014-07-15

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

Evaluation of cleaner production options in dyeing and printing industry: Using combination weighting method

NASA Astrophysics Data System (ADS)

Kang, Hong; Zhang, Yun; Hou, Haochen; Sun, Xiaoyang; Qin, Chenglu

2018-03-01

The textile industry has a high environmental impact so that implementing cleaner production audit is an effective way to achieve energy conservation and emissions reduction. But the evaluation method in current cleaner production audit divided the evaluation of CPOs into two parts: environment and economy. The evaluation index system was constructed from three criteria of environment benefits, economy benefits and product performance; weights of five indicators were determined by combination weights of entropy method and factor weight sorting method. Then efficiencies were evaluated comprehensively. The results showed that the best alkali recovery option was the nanofiltration membrane method (S=0.80).

Minimization of the Renyi entropy production in the space-partitioning process.

PubMed

Cybulski, O; Babin, V; Hołyst, R

2005-04-01

The spontaneous division of space in Fleming-Viot processes is studied in terms of non-extensive thermodynamics. We analyze a system of n different types of Brownian particles confined in a box. Particles of different types annihilate each other when they come into close contact. Each process of annihilation is accompanied by a simultaneous nucleation of a particle of the same type, so that the number of particles of each component remains constant. The system eventually reaches a stationary state, in which the available space is divided into n separate subregions, each occupied by particles of one type. Within each subregion, the particle density distribution minimizes the Renyi entropy production. We show that the sum of these entropy productions in the stationary state is also minimized, i.e., the resulting boundaries between different components adopt a configuration which minimizes the total entropy production. The evolution of the system leads to decreasing of the total entropy production monotonically in time, irrespective of the initial conditions. In some circumstances, the stationary state is not unique-the entropy production may have several local minima for different configurations. In the case of a rectangular box, the existence and stability of different stationary states are studied as a function of the aspect ratio of the rectangle.

Rényi-Fisher entropy product as a marker of topological phase transitions

NASA Astrophysics Data System (ADS)

Bolívar, J. C.; Nagy, Ágnes; Romera, Elvira

2018-05-01

The combined Rényi-Fisher entropy product of electrons plus holes displays a minimum at the charge neutrality points. The Stam-Rényi difference and the Stam-Rényi uncertainty product of the electrons plus holes, show maxima at the charge neutrality points. Topological quantum numbers capable of detecting the topological insulator and the band insulator phases, are defined. Upper and lower bounds for the position and momentum space Rényi-Fisher entropy products are derived.

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

NASA Astrophysics Data System (ADS)

Benfenati, Francesco; Beretta, Gian Paolo

2018-04-01

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

The principle of ‘maximum energy dissipation’: a novel thermodynamic perspective on rapid water flow in connected soil structures

PubMed Central

Zehe, Erwin; Blume, Theresa; Blöschl, Günter

2010-01-01

Preferential flow in biological soil structures is of key importance for infiltration and soil water flow at a range of scales. In the present study, we treat soil water flow as a dissipative process in an open non-equilibrium thermodynamic system, to better understand this key process. We define the chemical potential and Helmholtz free energy based on soil physical quantities, parametrize a physically based hydrological model based on field data and simulate the evolution of Helmholtz free energy in a cohesive soil with different populations of worm burrows for a range of rainfall scenarios. The simulations suggest that flow in connected worm burrows allows a more efficient redistribution of water within the soil, which implies a more efficient dissipation of free energy/higher production of entropy. There is additional evidence that the spatial pattern of worm burrow density at the hillslope scale is a major control of energy dissipation. The pattern typically found in the study is more efficient in dissipating energy/producing entropy than other patterns. This is because upslope run-off accumulates and infiltrates via the worm burrows into the dry soil in the lower part of the hillslope, which results in an overall more efficient dissipation of free energy. PMID:20368256

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

The large deviation function for entropy production: the optimal trajectory and the role of fluctuations

NASA Astrophysics Data System (ADS)

Speck, Thomas; Engel, Andreas; Seifert, Udo

2012-12-01

We study the large deviation function for the entropy production rate in two driven one-dimensional systems: the asymmetric random walk on a discrete lattice and Brownian motion in a continuous periodic potential. We compare two approaches: using the Donsker-Varadhan theory and using the Freidlin-Wentzell theory. We show that the wings of the large deviation function are dominated by a single optimal trajectory: either in the forward direction (positive rate) or in the backward direction (negative rate). The joining of the two branches at zero entropy production implies a non-differentiability and thus the appearance of a ‘kink’. However, around zero entropy production, many trajectories contribute and thus the ‘kink’ is smeared out.

Minimization of the Renyi entropy production in the stationary states of the Brownian process with matched death and birth rates.

PubMed

Cybulski, Olgierd; Babin, Volodymyr; Hołyst, Robert

2004-01-01

We analyze the Fleming-Viot process. The system is confined in a box, whose boundaries act as a sink of Brownian particles. The death rate at the boundaries is matched by the branching (birth) rate in the system and thus the number of particles is kept constant. We show that such a process is described by the Renyi entropy whose production is minimized in the stationary state. The entropy production in this process is a monotonically decreasing function of time irrespective of the initial conditions. The first Laplacian eigenvalue is shown to be equal to the Renyi entropy production in the stationary state. As an example we simulate the process in a two-dimensional box.

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.

Experimental Rectification of Entropy Production by Maxwell's Demon in a Quantum System

NASA Astrophysics Data System (ADS)

Camati, Patrice A.; Peterson, John P. S.; Batalhão, Tiago B.; Micadei, Kaonan; Souza, Alexandre M.; Sarthour, Roberto S.; Oliveira, Ivan S.; Serra, Roberto M.

2016-12-01

Maxwell's demon explores the role of information in physical processes. Employing information about microscopic degrees of freedom, this "intelligent observer" is capable of compensating entropy production (or extracting work), apparently challenging the second law of thermodynamics. In a modern standpoint, it is regarded as a feedback control mechanism and the limits of thermodynamics are recast incorporating information-to-energy conversion. We derive a trade-off relation between information-theoretic quantities empowering the design of an efficient Maxwell's demon in a quantum system. The demon is experimentally implemented as a spin-1 /2 quantum memory that acquires information, and employs it to control the dynamics of another spin-1 /2 system, through a natural interaction. Noise and imperfections in this protocol are investigated by the assessment of its effectiveness. This realization provides experimental evidence that the irreversibility in a nonequilibrium dynamics can be mitigated by assessing microscopic information and applying a feed-forward strategy at the quantum scale.

Experimental Rectification of Entropy Production by Maxwell's Demon in a Quantum System.

PubMed

Camati, Patrice A; Peterson, John P S; Batalhão, Tiago B; Micadei, Kaonan; Souza, Alexandre M; Sarthour, Roberto S; Oliveira, Ivan S; Serra, Roberto M

2016-12-09

Maxwell's demon explores the role of information in physical processes. Employing information about microscopic degrees of freedom, this "intelligent observer" is capable of compensating entropy production (or extracting work), apparently challenging the second law of thermodynamics. In a modern standpoint, it is regarded as a feedback control mechanism and the limits of thermodynamics are recast incorporating information-to-energy conversion. We derive a trade-off relation between information-theoretic quantities empowering the design of an efficient Maxwell's demon in a quantum system. The demon is experimentally implemented as a spin-1/2 quantum memory that acquires information, and employs it to control the dynamics of another spin-1/2 system, through a natural interaction. Noise and imperfections in this protocol are investigated by the assessment of its effectiveness. This realization provides experimental evidence that the irreversibility in a nonequilibrium dynamics can be mitigated by assessing microscopic information and applying a feed-forward strategy at the quantum scale.

Magnetic stirling cycles: A new application for magnetic materials

NASA Technical Reports Server (NTRS)

Brown, G. V.

1977-01-01

The elements of the cycle are summarized. The basic advantages include high entropy density in the magnetic material, completely reversible processes, convenient control of the entropy by the applied field, the feature that heat transfer is possible during all processes, and the ability of the ideal cycle to attain Carnot efficiency. The mean field theory is used to predict the entropy of a ferromagnet in an applied field and also the isothermal entropy change and isentropic temperature change caused by applying a field. The results for isentropic temperature change are compared with experimental data on Gd. Coarse mixtures of ferromagnetic materials with different Curie points are proposed to modify the path of the cycle in the T-S diagram in order to improve the efficiency or to increase the specific power.

Tensor-product preconditioners for a space-time discontinuous Galerkin method

NASA Astrophysics Data System (ADS)

Diosady, Laslo T.; Murman, Scott M.

2014-10-01

A space-time discontinuous Galerkin spectral element discretization is presented for direct numerical simulation of the compressible Navier-Stokes equations. An efficient solution technique based on a matrix-free Newton-Krylov method is presented. A diagonalized alternating direction implicit preconditioner is extended to a space-time formulation using entropy variables. The effectiveness of this technique is demonstrated for the direct numerical simulation of turbulent flow in a channel.

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.

Propulsion Options for the HI SPOT Long Endurance Drone Airship

DTIC Science & Technology

1979-09-15

Carnot Stirling Ranklne Entropy Entropy Entropy Temper- ature ’iconst P ’Ccost V Coat P 01 1 ___PConsit V Cnt V C:)nst P Diesel Otto Brayton Entropy...ignition) and Brayton (gas turbine) systems. All of these are within a few percentage points of efficiency, though the Brayton engine is generally less...fuel consumption. The ultimate lightweight engine is the gas turbine, or Brayton cycle engine. However, while good specific fuel consumption can be

Double strand breaks may be a missing link between entropy and aging.

PubMed

Lenart, Peter; Bienertová-Vašků, Julie

2016-07-01

It has been previously suggested that an increase in entropy production leads to aging. However, the mechanisms linking increased entropy production in living mass to aging are currently unclear. Even though entropy cannot be easily associated with any specific molecular damage, the increase of entropy in structural mass may be connected with heat stress, which is known to generate double strand breaks. Double strand breaks, which are in turn known to play an important role in process of aging, are thus connected to both aging and an increase of entropy. In view of these associations, we propose a new model where the increase of entropy leads to the formation of double strand breaks, resulting in an aging phenotype. This not only offers a new perspective on aging research and facilitates experimental validation, but could also serve as a useful explanatory tool. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

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

NASA Astrophysics Data System (ADS)

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

2014-12-01

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

Efficiency of a thermodynamic motor at maximum power

NASA Astrophysics Data System (ADS)

Moreau, M.; Gaveau, B.; Schulman, L. S.

2012-02-01

Several recent theories address the efficiency of a macroscopic thermodynamic motor at maximum power and question the so-called Curzon-Ahlborn (CA) efficiency. Considering the entropy exchanges and productions in an n-sources motor, we study the maximization of its power and show that the controversies are partly due to some imprecision in the maximization variables. When power is maximized with respect to the system temperatures, these temperatures are proportional to the square root of the corresponding source temperatures, which leads to the CA formula for a bithermal motor. On the other hand, when power is maximized with respect to the transition durations, the Carnot efficiency of a bithermal motor admits the CA efficiency as a lower bound, which is attained if the duration of the adiabatic transitions can be neglected. Additionally, we compute the energetic efficiency, or “sustainable efficiency,” which can be defined for n sources, and we show that it has no other universal upper bound than 1, but that in certain situations, which are favorable for power production, it does not exceed ½.

Efficiency of a thermodynamic motor at maximum power.

PubMed

Moreau, M; Gaveau, B; Schulman, L S

2012-02-01

Several recent theories address the efficiency of a macroscopic thermodynamic motor at maximum power and question the so-called Curzon-Ahlborn (CA) efficiency. Considering the entropy exchanges and productions in an n-sources motor, we study the maximization of its power and show that the controversies are partly due to some imprecision in the maximization variables. When power is maximized with respect to the system temperatures, these temperatures are proportional to the square root of the corresponding source temperatures, which leads to the CA formula for a bithermal motor. On the other hand, when power is maximized with respect to the transition durations, the Carnot efficiency of a bithermal motor admits the CA efficiency as a lower bound, which is attained if the duration of the adiabatic transitions can be neglected. Additionally, we compute the energetic efficiency, or "sustainable efficiency," which can be defined for n sources, and we show that it has no other universal upper bound than 1, but that in certain situations, which are favorable for power production, it does not exceed ½. © 2012 American Physical Society

A modified belief entropy in Dempster-Shafer framework.

PubMed

Zhou, Deyun; Tang, Yongchuan; Jiang, Wen

2017-01-01

How to quantify the uncertain information in the framework of Dempster-Shafer evidence theory is still an open issue. Quite a few uncertainty measures have been proposed in Dempster-Shafer framework, however, the existing studies mainly focus on the mass function itself, the available information represented by the scale of the frame of discernment (FOD) in the body of evidence is ignored. Without taking full advantage of the information in the body of evidence, the existing methods are somehow not that efficient. In this paper, a modified belief entropy is proposed by considering the scale of FOD and the relative scale of a focal element with respect to FOD. Inspired by Deng entropy, the new belief entropy is consistent with Shannon entropy in the sense of probability consistency. What's more, with less information loss, the new measure can overcome the shortage of some other uncertainty measures. A few numerical examples and a case study are presented to show the efficiency and superiority of the proposed method.

A modified belief entropy in Dempster-Shafer framework

PubMed Central

Zhou, Deyun; Jiang, Wen

2017-01-01

How to quantify the uncertain information in the framework of Dempster-Shafer evidence theory is still an open issue. Quite a few uncertainty measures have been proposed in Dempster-Shafer framework, however, the existing studies mainly focus on the mass function itself, the available information represented by the scale of the frame of discernment (FOD) in the body of evidence is ignored. Without taking full advantage of the information in the body of evidence, the existing methods are somehow not that efficient. In this paper, a modified belief entropy is proposed by considering the scale of FOD and the relative scale of a focal element with respect to FOD. Inspired by Deng entropy, the new belief entropy is consistent with Shannon entropy in the sense of probability consistency. What’s more, with less information loss, the new measure can overcome the shortage of some other uncertainty measures. A few numerical examples and a case study are presented to show the efficiency and superiority of the proposed method. PMID:28481914

A Discrete Constraint for Entropy Conservation and Sound Waves in Cloud-Resolving Modeling

NASA Technical Reports Server (NTRS)

Zeng, Xi-Ping; Tao, Wei-Kuo; Simpson, Joanne

2003-01-01

Ideal cloud-resolving models contain little-accumulative errors. When their domain is so large that synoptic large-scale circulations are accommodated, they can be used for the simulation of the interaction between convective clouds and the large-scale circulations. This paper sets up a framework for the models, using moist entropy as a prognostic variable and employing conservative numerical schemes. The models possess no accumulative errors of thermodynamic variables when they comply with a discrete constraint on entropy conservation and sound waves. Alternatively speaking, the discrete constraint is related to the correct representation of the large-scale convergence and advection of moist entropy. Since air density is involved in entropy conservation and sound waves, the challenge is how to compute sound waves efficiently under the constraint. To address the challenge, a compensation method is introduced on the basis of a reference isothermal atmosphere whose governing equations are solved analytically. Stability analysis and numerical experiments show that the method allows the models to integrate efficiently with a large time step.

Efficiency in the European agricultural sector: environment and resources.

PubMed

Moutinho, Victor; Madaleno, Mara; Macedo, Pedro; Robaina, Margarita; Marques, Carlos

2018-04-22

This article intends to compute agriculture technical efficiency scores of 27 European countries during the period 2005-2012, using both data envelopment analysis (DEA) and stochastic frontier analysis (SFA) with a generalized cross-entropy (GCE) approach, for comparison purposes. Afterwards, by using the scores as dependent variable, we apply quantile regressions using a set of possible influencing variables within the agricultural sector able to explain technical efficiency scores. Results allow us to conclude that although DEA and SFA are quite distinguishable methodologies, and despite attained results are different in terms of technical efficiency scores, both are able to identify analogously the worst and better countries. They also suggest that it is important to include resources productivity and subsidies in determining technical efficiency due to its positive and significant exerted influence.

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

NASA Astrophysics Data System (ADS)

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

2013-08-01

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

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

PubMed Central

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

2013-01-01

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

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

PubMed

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

2013-08-30

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

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.

Generation of skeletal mechanism by means of projected entropy participation indices

NASA Astrophysics Data System (ADS)

Paolucci, Samuel; Valorani, Mauro; Ciottoli, Pietro Paolo; Galassi, Riccardo Malpica

2017-11-01

When the dynamics of reactive systems develop very-slow and very-fast time scales separated by a range of active time scales, with gaps in the fast/active and slow/active time scales, then it is possible to achieve multi-scale adaptive model reduction along-with the integration of the ODEs using the G-Scheme. The scheme assumes that the dynamics is decomposed into active, slow, fast, and invariant subspaces. We derive expressions that establish a direct link between time scales and entropy production by using estimates provided by the G-Scheme. To calculate the contribution to entropy production, we resort to a standard model of a constant pressure, adiabatic, batch reactor, where the mixture temperature of the reactants is initially set above the auto-ignition temperature. Numerical experiments show that the contribution to entropy production of the fast subspace is of the same magnitude as the error threshold chosen for the identification of the decomposition of the tangent space, and the contribution of the slow subspace is generally much smaller than that of the active subspace. The information on entropy production associated with reactions within each subspace is used to define an entropy participation index that is subsequently utilized for model reduction.

Application of SNODAS and hydrologic models to enhance entropy-based snow monitoring network design

NASA Astrophysics Data System (ADS)

Keum, Jongho; Coulibaly, Paulin; Razavi, Tara; Tapsoba, Dominique; Gobena, Adam; Weber, Frank; Pietroniro, Alain

2018-06-01

Snow has a unique characteristic in the water cycle, that is, snow falls during the entire winter season, but the discharge from snowmelt is typically delayed until the melting period and occurs in a relatively short period. Therefore, reliable observations from an optimal snow monitoring network are necessary for an efficient management of snowmelt water for flood prevention and hydropower generation. The Dual Entropy and Multiobjective Optimization is applied to design snow monitoring networks in La Grande River Basin in Québec and Columbia River Basin in British Columbia. While the networks are optimized to have the maximum amount of information with minimum redundancy based on entropy concepts, this study extends the traditional entropy applications to the hydrometric network design by introducing several improvements. First, several data quantization cases and their effects on the snow network design problems were explored. Second, the applicability the Snow Data Assimilation System (SNODAS) products as synthetic datasets of potential stations was demonstrated in the design of the snow monitoring network of the Columbia River Basin. Third, beyond finding the Pareto-optimal networks from the entropy with multi-objective optimization, the networks obtained for La Grande River Basin were further evaluated by applying three hydrologic models. The calibrated hydrologic models simulated discharges using the updated snow water equivalent data from the Pareto-optimal networks. Then, the model performances for high flows were compared to determine the best optimal network for enhanced spring runoff forecasting.

Universal bound on the efficiency of molecular motors

NASA Astrophysics Data System (ADS)

Pietzonka, Patrick; Barato, Andre C.; Seifert, Udo

2016-12-01

The thermodynamic uncertainty relation provides an inequality relating any mean current, the associated dispersion and the entropy production rate for arbitrary non-equilibrium steady states. Applying it here to a general model of a molecular motor running against an external force or torque, we show that the thermodynamic efficiency of such motors is universally bounded by an expression involving only experimentally accessible quantities. For motors pulling cargo through a viscous fluid, a universal bound for the corresponding Stokes efficiency follows as a variant. A similar result holds if mechanical force is used to synthesize molecules of high chemical potential. Crucially, no knowledge of the detailed underlying mechano-chemical mechanism is required for applying these bounds.

Engines with ideal efficiency and nonzero power for sublinear transport laws

NASA Astrophysics Data System (ADS)

Koning, Jesper; Indekeu, Joseph O.

2016-11-01

It is known that an engine with ideal efficiency (η = 1 for a chemical engine and e = eCarnot for a thermal one) has zero power because a reversible cycle takes an infinite time. However, at least from a theoretical point of view, it is possible to conceive (irreversible) engines with nonzero power that can reach ideal efficiency. Here this is achieved by replacing the usual linear transport law by a sublinear one and taking the step-function limit for the particle current (chemical engine) or heat current (thermal engine) versus the applied force. It is shown that in taking this limit exact thermodynamic inequalities relating the currents to the entropy production are not violated.

Entanglement entropy and mutual information production rates in acoustic black holes.

PubMed

Giovanazzi, Stefano

2011-01-07

A method to investigate acoustic Hawking radiation is proposed, where entanglement entropy and mutual information are measured from the fluctuations of the number of particles. The rate of entropy radiated per one-dimensional (1D) channel is given by S=κ/12, where κ is the sound acceleration on the sonic horizon. This entropy production is accompanied by a corresponding formation of mutual information to ensure the overall conservation of information. The predictions are confirmed using an ab initio analytical approach in transonic flows of 1D degenerate ideal Fermi fluids.

Entropy of international trades

NASA Astrophysics Data System (ADS)

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

2017-05-01

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

Entropy in DNA Double-Strand Break, Detection and Signaling

NASA Astrophysics Data System (ADS)

Zhang, Yang; Schindler, Christina; Heermann, Dieter

2014-03-01

In biology, the term entropy is often understood as a measure of disorder - a restrictive interpretation that can even be misleading. Recently it has become clearer and clearer that entropy, contrary to conventional wisdom, can help to order and guide biological processes in living cells. DNA double-strand breaks (DSBs) are among the most dangerous lesions and efficient damage detection and repair is essential for organism viability. However, what remains unknown is the precise mechanism of targeting the site of damage within billions of intact nucleotides and a crowded nuclear environment, a process which is often referred to as recruitment or signaling. Here we show that the change in entropy associated with inflicting a DSB facilitates the recruitment of damage sensor proteins. By means of computational modeling we found that higher mobility and local chromatin structure accelerate protein association at DSB ends. We compared the effect of different chromatin architectures on protein dynamics and concentrations in the vicinity of DSBs, and related these results to experiments on repair in heterochromatin. Our results demonstrate how entropy contributes to a more efficient damage detection. We identify entropy as the physical basis for DNA double-strand break signaling.

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-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

Renyi Entropies in Multiparticle Production

NASA Astrophysics Data System (ADS)

Bialas, A.; Czyz, W.

2000-12-01

Renyi entropies are calculated for some multiparticle systems. Arguments are presented that measurements of Renyi entropies as functions of the average number of particles produced in high energy collisions carry important information on the produced system.

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

NASA Astrophysics Data System (ADS)

Zingan, Valentin Nikolaevich

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

Nonequilibrium thermodynamics and the transport phenomena in magnetically confined plasmas

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

Balescu, R.

1987-09-01

The neoclassical theory of transport in magnetically confined plasmas is reviewed. The emphasis is laid on a set of relationships existing among the banana transport coefficients. The surface-averaged entropy production in such plasmas is evaluated. It is shown that neoclassical effects emerge from the entropy production due to parallel transport processes. The Pfirsch-Schlueter effect can be clearly interpreted as due to spatial fluctuations of parallel fluxes on a magnetic surface: the corresponding entropy production is the measure of these fluctuations. The banana fluxes can be formulated in a quasithermodynamic form in which the average entropy production is a bilinear formmore » in the parallel fluxes and the conjugate generalized stresses. A formulation as a quadratic form in the thermodynamic forces is also possible, but leads to anomalies, which are discussed in some detail.« less

Time reversibility and nonequilibrium thermodynamics of second-order stochastic processes.

PubMed

Ge, Hao

2014-02-01

Nonequilibrium thermodynamics of a general second-order stochastic system is investigated. We prove that at steady state, under inversion of velocities, the condition of time reversibility over the phase space is equivalent to the antisymmetry of spatial flux and the symmetry of velocity flux. Then we show that the condition of time reversibility alone cannot always guarantee the Maxwell-Boltzmann distribution. Comparing the two conditions together, we find that the frictional force naturally emerges as the unique odd term of the total force at thermodynamic equilibrium, and is followed by the Einstein relation. The two conditions respectively correspond to two previously reported different entropy production rates. In the case where the external force is only position dependent, the two entropy production rates become one. We prove that such an entropy production rate can be decomposed into two non-negative terms, expressed respectively by the conditional mean and variance of the thermodynamic force associated with the irreversible velocity flux at any given spatial coordinate. In the small inertia limit, the former term becomes the entropy production rate of the corresponding overdamped dynamics, while the anomalous entropy production rate originates from the latter term. Furthermore, regarding the connection between the first law and second law, we find that in the steady state of such a limit, the anomalous entropy production rate is also the leading order of the Boltzmann-factor weighted difference between the spatial heat dissipation densities of the underdamped and overdamped dynamics, while their unweighted difference always tends to vanish.

Fluctuation theorem for entropy production during effusion of a relativistic ideal gas.

PubMed

Cleuren, B; Willaert, K; Engel, A; Van den Broeck, C

2008-02-01

The probability distribution of the entropy production for the effusion of a relativistic ideal gas is calculated explicitly. This result is then extended to include particle and antiparticle pair production and annihilation. In both cases, the fluctuation theorem is verified.

Entropy, recycling and macroeconomics of water resources

NASA Astrophysics Data System (ADS)

Karakatsanis, Georgios; Mamassis, Nikos; Koutsoyiannis, Demetris

2014-05-01

We propose a macroeconomic model for water quantity and quality supply multipliers derived by water recycling (Karakatsanis et al. 2013). Macroeconomic models that incorporate natural resource conservation have become increasingly important (European Commission et al. 2012). In addition, as an estimated 80% of globally used freshwater is not reused (United Nations 2012), under increasing population trends, water recycling becomes a solution of high priority. Recycling of water resources creates two major conservation effects: (1) conservation of water in reservoirs and aquifers and (2) conservation of ecosystem carrying capacity due to wastewater flux reduction. Statistical distribution properties of the recycling efficiencies -on both water quantity and quality- for each sector are of vital economic importance. Uncertainty and complexity of water reuse in sectors are statistically quantified by entropy. High entropy of recycling efficiency values signifies greater efficiency dispersion; which -in turn- may indicate the need for additional infrastructure for the statistical distribution's both shifting and concentration towards higher efficiencies that lead to higher supply multipliers. Keywords: Entropy, water recycling, water supply multipliers, conservation, recycling efficiencies, macroeconomics References 1. European Commission (EC), Food and Agriculture Organization (FAO), International Monetary Fund (IMF), Organization of Economic Cooperation and Development (OECD), United Nations (UN) and World Bank (2012), System of Environmental and Economic Accounting (SEEA) Central Framework (White cover publication), United Nations Statistics Division 2. Karakatsanis, G., N. Mamassis, D. Koutsoyiannis and A. Efstratiades (2013), Entropy and reliability of water use via a statistical approach of scarcity, 5th EGU Leonardo Conference - Hydrofractals 2013 - STAHY '13, Kos Island, Greece, European Geosciences Union, International Association of Hydrological Sciences, International Union of Geodesy and Geophysics 3. United Nations (UN) (2012), World Water Development Report 4, UNESCO Publishing

Maximum Entropy for the International Division of Labor.

PubMed

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

2015-01-01

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

Entropy, matter, and cosmology.

PubMed

Prigogine, I; Géhéniau, J

1986-09-01

The role of irreversible processes corresponding to creation of matter in general relativity is investigated. The use of Landau-Lifshitz pseudotensors together with conformal (Minkowski) coordinates suggests that this creation took place in the early universe at the stage of the variation of the conformal factor. The entropy production in this creation process is calculated. It is shown that these dissipative processes lead to the possibility of cosmological models that start from empty conditions and gradually build up matter and entropy. Gravitational entropy takes a simple meaning as associated to the entropy that is necessary to produce matter. This leads to an extension of the third law of thermodynamics, as now the zero point of entropy becomes the space-time structure out of which matter is generated. The theory can be put into a convenient form using a supplementary "C" field in Einstein's field equations. The role of the C field is to express the coupling between gravitation and matter leading to irreversible entropy production.

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.

Stochastic approach to equilibrium and nonequilibrium thermodynamics.

PubMed

Tomé, Tânia; de Oliveira, Mário J

2015-04-01

We develop the stochastic approach to thermodynamics based on stochastic dynamics, which can be discrete (master equation) and continuous (Fokker-Planck equation), and on two assumptions concerning entropy. The first is the definition of entropy itself and the second the definition of entropy production rate, which is non-negative and vanishes in thermodynamic equilibrium. Based on these assumptions, we study interacting systems with many degrees of freedom in equilibrium or out of thermodynamic equilibrium and how the macroscopic laws are derived from the stochastic dynamics. These studies include the quasiequilibrium processes; the convexity of the equilibrium surface; the monotonic time behavior of thermodynamic potentials, including entropy; the bilinear form of the entropy production rate; the Onsager coefficients and reciprocal relations; and the nonequilibrium steady states of chemical reactions.

Metabolic networks evolve towards states of maximum entropy production.

PubMed

Unrean, Pornkamol; Srienc, Friedrich

2011-11-01

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

Irreversible entropy production in two-phase flows with evaporating drops

NASA Technical Reports Server (NTRS)

Bellan, J.; Okong'o, N. A.

2002-01-01

A derivation of the irreversible entropy production, that is the dissipation, in two-phase flows is presented for the purpose of examining the effect of evaporative-drop modulation of flows having turbulent features.

Maximum entropy principle for stationary states underpinned by stochastic thermodynamics.

PubMed

Ford, Ian J

2015-11-01

The selection of an equilibrium state by maximizing the entropy of a system, subject to certain constraints, is often powerfully motivated as an exercise in logical inference, a procedure where conclusions are reached on the basis of incomplete information. But such a framework can be more compelling if it is underpinned by dynamical arguments, and we show how this can be provided by stochastic thermodynamics, where an explicit link is made between the production of entropy and the stochastic dynamics of a system coupled to an environment. The separation of entropy production into three components allows us to select a stationary state by maximizing the change, averaged over all realizations of the motion, in the principal relaxational or nonadiabatic component, equivalent to requiring that this contribution to the entropy production should become time independent for all realizations. We show that this recovers the usual equilibrium probability density function (pdf) for a conservative system in an isothermal environment, as well as the stationary nonequilibrium pdf for a particle confined to a potential under nonisothermal conditions, and a particle subject to a constant nonconservative force under isothermal conditions. The two remaining components of entropy production account for a recently discussed thermodynamic anomaly between over- and underdamped treatments of the dynamics in the nonisothermal stationary state.

An Information Theoretic Characterisation of Auditory Encoding

PubMed Central

Overath, Tobias; Cusack, Rhodri; Kumar, Sukhbinder; von Kriegstein, Katharina; Warren, Jason D; Grube, Manon; Carlyon, Robert P; Griffiths, Timothy D

2007-01-01

The entropy metric derived from information theory provides a means to quantify the amount of information transmitted in acoustic streams like speech or music. By systematically varying the entropy of pitch sequences, we sought brain areas where neural activity and energetic demands increase as a function of entropy. Such a relationship is predicted to occur in an efficient encoding mechanism that uses less computational resource when less information is present in the signal: we specifically tested the hypothesis that such a relationship is present in the planum temporale (PT). In two convergent functional MRI studies, we demonstrated this relationship in PT for encoding, while furthermore showing that a distributed fronto-parietal network for retrieval of acoustic information is independent of entropy. The results establish PT as an efficient neural engine that demands less computational resource to encode redundant signals than those with high information content. PMID:17958472

Enhanced magnetocaloric effect tuning efficiency in Ni-Mn-Sn alloy ribbons

NASA Astrophysics Data System (ADS)

Quintana-Nedelcos, A.; Sánchez Llamazares, J. L.; Daniel-Perez, G.

2017-11-01

The present work was undertaken to investigate the effect of microstructure on the magnetic entropy change of Ni50Mn37Sn13 ribbon alloys. Unchanged sample composition and cell parameter of austenite allowed us to study strictly the correlation between the average grain size and the total magnetic field induced entropy change (ΔST). We found that a size-dependent martensitic transformation tuning results in a wide temperature range tailoring (>40 K) of the magnetic entropy change with a reasonably small variation on the peak value of the total field induced entropy change. The peak values varied from 6.0 J kg-1 K-1 to 7.7 J kg-1 K-1 for applied fields up to 2 T. Different tuning efficiencies obtained by diverse MCE tailoring approaches are compared to highlight the advantages of the herein proposed mechanism.

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

NASA Astrophysics Data System (ADS)

Kollet, S. J.

2015-05-01

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

The stochastic thermodynamics of a rotating Brownian particle in a gradient flow

PubMed Central

Lan, Yueheng; Aurell, Erik

2015-01-01

We compute the entropy production engendered in the environment from a single Brownian particle which moves in a gradient flow, and show that it corresponds in expectation to classical near-equilibrium entropy production in the surrounding fluid with specific mesoscopic transport coefficients. With temperature gradient, extra terms are found which result from the nonlinear interaction between the particle and the non-equilibrated environment. The calculations are based on the fluctuation relations which relate entropy production to the probabilities of stochastic paths and carried out in a multi-time formalism. PMID:26194015

Maximum Entropy for the International Division of Labor

PubMed Central

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

2015-01-01

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

Entropy Production and Non-Equilibrium Steady States

NASA Astrophysics Data System (ADS)

Suzuki, Masuo

2013-01-01

The long-term issue of entropy production in transport phenomena is solved by separating the symmetry of the non-equilibrium density matrix ρ(t) in the von Neumann equation, as ρ(t) = ρs(t) + ρa(t) with the symmetric part ρs(t) and antisymmetric part ρa(t). The irreversible entropy production (dS/dt)irr is given in M. Suzuki, Physica A 390(2011)1904 by (dS/dt)irr = Tr( {H}(dρ s{(t)/dt))}/T for the Hamiltonian {H} of the relevant system. The general formulation of the extended von Neumann equation with energy supply and heat extraction is reviewed from the author's paper (M. S.,Physica A391(2012)1074). irreversibility; entropy production; transport phenomena; electric conduction; thermal conduction; linear response; Kubo formula; steady state; non-equilibrium density matrix; energy supply; symmetry-separated von Neumann equation; unboundedness.

Entropy production during an isothermal phase transition in the early universe

NASA Astrophysics Data System (ADS)

Kaempfer, B.

The analytical model of Lodenquai and Dixit (1983) and of Bonometto and Matarrese (1983) of an isothermal era in the early universe is extended here to arbitrary temperatures. It is found that a sufficiently large supercooling gives rise to a large entropy production which may significantly dilute the primordial monopole or baryon to entropy ratio. Whether such large supercooling can be achieved depends on the characteristics of the nucleation process.

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

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

Dong, Xi

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 Re´nyi 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 geometricmore » prescription is a one-parameter generalization of the minimal surface prescription for entanglement entropy. Applying this we provide the first holographic calculation of mutual Re´nyi information between two disks of arbitrary dimension. Our results provide a framework for efficiently studying Re´nyi entropies and understanding entanglement structures in strongly coupled systems and quantum gravity.« less

Thermodynamics of energy, charge, and spin currents in a thermoelectric quantum-dot spin valve

NASA Astrophysics Data System (ADS)

Tang, Gaomin; Thingna, Juzar; Wang, Jian

2018-04-01

We provide a thermodynamically consistent description of energy, charge, and spin transfers in a thermoelectric quantum-dot spin valve in the collinear configuration based on nonequilibrium Green's function and full counting statistics. We use the fluctuation theorem symmetry and the concept of entropy production to characterize the efficiency with which thermal gradients can transduce charges or spins against their chemical potentials, arbitrary far from equilibrium. Close to equilibrium, we recover the Onsager reciprocal relations and the connection to linear response notions of performance such as the figure of merit. We also identify regimes where work extraction is more efficient far then close from equilibrium.

Efficient optimization of the quantum relative entropy

NASA Astrophysics Data System (ADS)

Fawzi, Hamza; Fawzi, Omar

2018-04-01

Many quantum information measures can be written as an optimization of the quantum relative entropy between sets of states. For example, the relative entropy of entanglement of a state is the minimum relative entropy to the set of separable states. The various capacities of quantum channels can also be written in this way. We propose a unified framework to numerically compute these quantities using off-the-shelf semidefinite programming solvers, exploiting the approximation method proposed in Fawzi, Saunderson and Parrilo (2017 arXiv: 1705.00812). As a notable application, this method allows us to provide numerical counterexamples for a proposed lower bound on the quantum conditional mutual information in terms of the relative entropy of recovery.

Entropy Production in Convective Hydrothermal Systems

NASA Astrophysics Data System (ADS)

Boersing, Nele; Wellmann, Florian; Niederau, Jan

2016-04-01

Exploring hydrothermal reservoirs requires reliable estimates of subsurface temperatures to delineate favorable locations of boreholes. It is therefore of fundamental and practical importance to understand the thermodynamic behavior of the system in order to predict its performance with numerical studies. To this end, the thermodynamic measure of entropy production is considered as a useful abstraction tool to characterize the convective state of a system since it accounts for dissipative heat processes and gives insight into the system's average behavior in a statistical sense. Solving the underlying conservation principles of a convective hydrothermal system is sensitive to initial conditions and boundary conditions which in turn are prone to uncertain knowledge in subsurface parameters. There exist multiple numerical solutions to the mathematical description of a convective system and the prediction becomes even more challenging as the vigor of convection increases. Thus, the variety of possible modes contained in such highly non-linear problems needs to be quantified. A synthetic study is carried out to simulate fluid flow and heat transfer in a finite porous layer heated from below. Various two-dimensional models are created such that their corresponding Rayleigh numbers lie in a range from the sub-critical linear to the supercritical non-linear regime, that is purely conductive to convection-dominated systems. Entropy production is found to describe the transient evolution of convective processes fairly well and can be used to identify thermodynamic equilibrium. Additionally, varying the aspect ratio for each Rayleigh number shows that the variety of realized convection modes increases with both larger aspect ratio and higher Rayleigh number. This phenomenon is also reflected by an enlarged spread of entropy production for the realized modes. Consequently, the Rayleigh number can be correlated to the magnitude of entropy production. In cases of moderate Rayleigh number and moderate aspect ratio, entropy production even enables to predict a preferred convection mode for a model with homogeneous parameter distribution. As a general rule, the thermodynamic measure of entropy production can be used to analyze uncertainties accompanied by modelling convective hydrothermal systems. Without considering any probability distributions of input data, this synthetic study shows that a higher entropy production implies a lower ability to uniquely predict the convection pattern. This in turn means that the uncertainty in estimating subsurface temperatures is higher.

The gravity dual of Rényi entropy

DOE PAGES

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 Re´nyi 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 geometricmore » prescription is a one-parameter generalization of the minimal surface prescription for entanglement entropy. Applying this we provide the first holographic calculation of mutual Re´nyi information between two disks of arbitrary dimension. Our results provide a framework for efficiently studying Re´nyi entropies and understanding entanglement structures in strongly coupled systems and quantum gravity.« less

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

Two faces of entropy and information in biological systems.

PubMed

Mitrokhin, Yuriy

2014-10-21

The article attempts to overcome the well-known paradox of contradictions between the emerging biological organization and entropy production in biological systems. It is assumed that quality, speculative correlation between entropy and antientropy processes taking place both in the past and today in the metabolic and genetic cellular systems may be perfectly authorized for adequate description of the evolution of biological organization. So far as thermodynamic entropy itself cannot compensate for the high degree of organization which exists in the cell, we discuss the mode of conjunction of positive entropy events (mutations) in the genetic systems of the past generations and the formation of organized structures of current cells. We argue that only the information which is generated in the conditions of the information entropy production (mutations and other genome reorganization) in genetic systems of the past generations provides the physical conjunction of entropy and antientropy processes separated from each other in time generations. It is readily apparent from the requirements of the Second law of thermodynamics. Copyright © 2014 Elsevier Ltd. All rights reserved.

Mapping current fluctuations of stochastic pumps to nonequilibrium steady states.

PubMed

Rotskoff, Grant M

2017-03-01

We show that current fluctuations in a stochastic pump can be robustly mapped to fluctuations in a corresponding time-independent nonequilibrium steady state. We thus refine a recently proposed mapping so that it ensures equivalence of not only the averages, but also optimal representation of fluctuations in currents and density. Our mapping leads to a natural decomposition of the entropy production in stochastic pumps similar to the "housekeeping" heat. As a consequence of the decomposition of entropy production, the current fluctuations in weakly perturbed stochastic pumps are shown to satisfy a universal bound determined by the steady state entropy production.

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

Stochastic thermodynamics and entropy production of chemical reaction systems

NASA Astrophysics Data System (ADS)

Tomé, Tânia; de Oliveira, Mário J.

2018-06-01

We investigate the nonequilibrium stationary states of systems consisting of chemical reactions among molecules of several chemical species. To this end, we introduce and develop a stochastic formulation of nonequilibrium thermodynamics of chemical reaction systems based on a master equation defined on the space of microscopic chemical states and on appropriate definitions of entropy and entropy production. The system is in contact with a heat reservoir and is placed out of equilibrium by the contact with particle reservoirs. In our approach, the fluxes of various types, such as the heat and particle fluxes, play a fundamental role in characterizing the nonequilibrium chemical state. We show that the rate of entropy production in the stationary nonequilibrium state is a bilinear form in the affinities and the fluxes of reaction, which are expressed in terms of rate constants and transition rates, respectively. We also show how the description in terms of microscopic states can be reduced to a description in terms of the numbers of particles of each species, from which follows the chemical master equation. As an example, we calculate the rate of entropy production of the first and second Schlögl reaction models.

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

Investigating Friction as a Main Source of Entropy Generation in the Expansion of Confined Gas in a Piston-and-Cylinder Device

ERIC Educational Resources Information Center

Kang, Dun-Yen; Liou, Kai-Hsin; Chang, Wei-Lun

2015-01-01

The expansion or compression of gas confined in a piston-and-cylinder device is a classic working example used for illustrating the First and Second Laws of Thermodynamics. The balance of energy and entropy enables the estimation of a number of thermodynamic properties. The entropy generation (also called entropy production) resulting from this…

A fault diagnosis scheme for planetary gearboxes using modified multi-scale symbolic dynamic entropy and mRMR feature selection

NASA Astrophysics Data System (ADS)

Li, Yongbo; Yang, Yuantao; Li, Guoyan; Xu, Minqiang; Huang, Wenhu

2017-07-01

Health condition identification of planetary gearboxes is crucial to reduce the downtime and maximize productivity. This paper aims to develop a novel fault diagnosis method based on modified multi-scale symbolic dynamic entropy (MMSDE) and minimum redundancy maximum relevance (mRMR) to identify the different health conditions of planetary gearbox. MMSDE is proposed to quantify the regularity of time series, which can assess the dynamical characteristics over a range of scales. MMSDE has obvious advantages in the detection of dynamical changes and computation efficiency. Then, the mRMR approach is introduced to refine the fault features. Lastly, the obtained new features are fed into the least square support vector machine (LSSVM) to complete the fault pattern identification. The proposed method is numerically and experimentally demonstrated to be able to recognize the different fault types of planetary gearboxes.

Entropy Production of Emerging Turbulent Scales in a Temporal Supercritical N-Neptane/Nitrogen Three-Dimensional Mixing Layer

NASA Technical Reports Server (NTRS)

Bellan, J.; Okongo, N.

2000-01-01

A study of emerging turbulent scales entropy production is conducted for a supercritical shear layer as a precursor to the eventual modeling of Subgrid Scales (from a turbulent state) leading to Large Eddy Simulations.

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

NASA Astrophysics Data System (ADS)

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

2017-07-01

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

Economics and Maximum Entropy Production

NASA Astrophysics Data System (ADS)

Lorenz, R. D.

2003-04-01

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

Entropy and chemical change. 1: Characterization of product (and reactant) energy distributions in reactive molecular collisions: Information and enthropy deficiency

NASA Technical Reports Server (NTRS)

Bernstein, R. B.; Levine, R. D.

1972-01-01

Optimal means of characterizing the distribution of product energy states resulting from reactive collisions of molecules with restricted distributions of initial states are considered, along with those for characterizing the particular reactant state distribution which yields a given set of product states at a specified total energy. It is suggested to represent the energy-dependence of global-type results in the form of square-faced bar plots, and of data for specific-type experiments as triangular-faced prismatic plots. The essential parameters defining the internal state distribution are isolated, and the information content of such a distribution is put on a quantitative basis. The relationship between the information content, the surprisal, and the entropy of the continuous distribution is established. The concept of an entropy deficiency, which characterizes the specificity of product state formation, is suggested as a useful measure of the deviance from statistical behavior. The degradation of information by experimental averaging is considered, leading to bounds on the entropy deficiency.

The Rényi entropy H2 as a rigorous, measurable lower bound for the entropy of the interaction region in multi-particle production processes

NASA Astrophysics Data System (ADS)

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

2006-10-01

A model-independent lower bound on the entropy S of the multi-particle system produced in high energy collisions, provided by the measurable Rényi entropy H2, is shown to be very effective. Estimates show that the ratio H2/S remains close to one half for all realistic values of the parameters.

Entropy bound of horizons for accelerating, rotating and charged Plebanski–Demianski black hole

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

Debnath, Ujjal, E-mail: ujjaldebnath@yahoo.com

We first review the accelerating, rotating and charged Plebanski–Demianski (PD) black hole, which includes the Kerr–Newman rotating black hole and the Taub-NUT spacetime. The main feature of this black hole is that it has 4 horizons like event horizon, Cauchy horizon and two accelerating horizons. In the non-extremal case, the surface area, entropy, surface gravity, temperature, angular velocity, Komar energy and irreducible mass on the event horizon and Cauchy horizon are presented for PD black hole. The entropy product, temperature product, Komar energy product and irreducible mass product have been found for event horizon and Cauchy horizon. Also their sumsmore » are found for both horizons. All these relations are dependent on the mass of the PD black hole and other parameters. So all the products are not universal for PD black hole. The entropy and area bounds for two horizons have been investigated. Also we found the Christodoulou–Ruffini mass for extremal PD black hole. Finally, using first law of thermodynamics, we also found the Smarr relation for PD black hole.« less

Thermodynamic criteria for estimating the kinetic parameters of catalytic reactions

NASA Astrophysics Data System (ADS)

Mitrichev, I. I.; Zhensa, A. V.; Kol'tsova, E. M.

2017-01-01

Kinetic parameters are estimated using two criteria in addition to the traditional criterion that considers the consistency between experimental and modeled conversion data: thermodynamic consistency and the consistency with entropy production (i.e., the absolute rate of the change in entropy due to exchange with the environment is consistent with the rate of entropy production in the steady state). A special procedure is developed and executed on a computer to achieve the thermodynamic consistency of a set of kinetic parameters with respect to both the standard entropy of a reaction and the standard enthalpy of a reaction. A problem of multi-criterion optimization, reduced to a single-criterion problem by summing weighted values of the three criteria listed above, is solved. Using the reaction of NO reduction with CO on a platinum catalyst as an example, it is shown that the set of parameters proposed by D.B. Mantri and P. Aghalayam gives much worse agreement with experimental values than the set obtained on the basis of three criteria: the sum of the squares of deviations for conversion, the thermodynamic consistency, and the consistency with entropy production.

Entropy production of active particles and for particles in active baths

NASA Astrophysics Data System (ADS)

Pietzonka, Patrick; Seifert, Udo

2018-01-01

Entropy production of an active particle in an external potential is identified through a thermodynamically consistent minimal lattice model that includes the chemical reaction providing the propulsion and ordinary translational noise. In the continuum limit, a unique expression follows, comprising a direct contribution from the active process and an indirect contribution from ordinary diffusive motion. From the corresponding Langevin equation, this physical entropy production cannot be inferred through the conventional, yet here ambiguous, comparison of forward and time-reversed trajectories. Generalizations to several interacting active particles and passive particles in a bath of active ones are presented explicitly, further ones are briefly indicated.

Mapping current fluctuations of stochastic pumps to nonequilibrium steady states.

NASA Astrophysics Data System (ADS)

Rotskoff, Grant

We show that current fluctuations in stochastic pumps can be robustly mapped to fluctuations in a corresponding time-independent non-equilibrium steady state. We thus refine a recently proposed mapping so that it ensures equivalence of not only the averages, but also the optimal representation of fluctuations in currents and density. Our mapping leads to a natural decomposition of the entropy production in stochastic pumps, similar to the ``housekeeping'' heat. As a consequence of the decomposition of entropy production, the current fluctuations in weakly perturbed stochastic pumps satisfy a universal bound determined by the steady state entropy production. National Science Foundation Graduate Research Fellowship.

Entropy Generation in a Chemical Reaction

ERIC Educational Resources Information Center

Miranda, E. N.

2010-01-01

Entropy generation in a chemical reaction is analysed without using the general formalism of non-equilibrium thermodynamics at a level adequate for advanced undergraduates. In a first approach to the problem, the phenomenological kinetic equation of an elementary first-order reaction is used to show that entropy production is always positive. A…

Information Entropy Production of Maximum Entropy Markov Chains from Spike Trains

NASA Astrophysics Data System (ADS)

Cofré, Rodrigo; Maldonado, Cesar

2018-01-01

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

Conditional Entropy-Constrained Residual VQ with Application to Image Coding

NASA Technical Reports Server (NTRS)

Kossentini, Faouzi; Chung, Wilson C.; Smith, Mark J. T.

1996-01-01

This paper introduces an extension of entropy-constrained residual vector quantization (VQ) where intervector dependencies are exploited. The method, which we call conditional entropy-constrained residual VQ, employs a high-order entropy conditioning strategy that captures local information in the neighboring vectors. When applied to coding images, the proposed method is shown to achieve better rate-distortion performance than that of entropy-constrained residual vector quantization with less computational complexity and lower memory requirements. Moreover, it can be designed to support progressive transmission in a natural way. It is also shown to outperform some of the best predictive and finite-state VQ techniques reported in the literature. This is due partly to the joint optimization between the residual vector quantizer and a high-order conditional entropy coder as well as the efficiency of the multistage residual VQ structure and the dynamic nature of the prediction.

Endoreversible quantum heat engines in the linear response regime.

PubMed

Wang, Honghui; He, Jizhou; Wang, Jianhui

2017-07-01

We analyze general models of quantum heat engines operating a cycle of two adiabatic and two isothermal processes. We use the quantum master equation for a system to describe heat transfer current during a thermodynamic process in contact with a heat reservoir, with no use of phenomenological thermal conduction. We apply the endoreversibility description to such engine models working in the linear response regime and derive expressions of the efficiency and the power. By analyzing the entropy production rate along a single cycle, we identify the thermodynamic flux and force that a linear relation connects. From maximizing the power output, we find that such heat engines satisfy the tight-coupling condition and the efficiency at maximum power agrees with the Curzon-Ahlborn efficiency known as the upper bound in the linear response regime.

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.

Entropy Beacon: A Hairpin-Free DNA Amplification Strategy for Efficient Detection of Nucleic Acids

PubMed Central

2015-01-01

Here, we propose an efficient strategy for enzyme- and hairpin-free nucleic acid detection called an entropy beacon (abbreviated as Ebeacon). Different from previously reported DNA hybridization/displacement-based strategies, Ebeacon is driven forward by increases in the entropy of the system, instead of free energy released from new base-pair formation. Ebeacon shows high sensitivity, with a detection limit of 5 pM target DNA in buffer and 50 pM in cellular homogenate. Ebeacon also benefits from the hairpin-free amplification strategy and zero-background, excellent thermostability from 20 °C to 50 °C, as well as good resistance to complex environments. In particular, based on the huge difference between the breathing rate of a single base pair and two adjacent base pairs, Ebeacon also shows high selectivity toward base mutations, such as substitution, insertion, and deletion and, therefore, is an efficient nucleic acid detection method, comparable to most reported enzyme-free strategies. PMID:26505212

[Specific features in realization of the principle of minimum energy dissipation during individual development].

PubMed

Zotin, A A

2012-01-01

Realization of the principle of minimum energy dissipation (Prigogine's theorem) during individual development has been analyzed. This analysis has suggested the following reformulation of this principle for living objects: when environmental conditions are constant, the living system evolves to a current steady state in such a way that the difference between entropy production and entropy flow (psi(u) function) is positive and constantly decreases near the steady state, approaching zero. In turn, the current steady state tends to a final steady state in such a way that the difference between the specific entropy productions in an organism and its environment tends to be minimal. In general, individual development completely agrees with the law of entropy increase (second law of thermodynamics).

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.

A Fundamental Investigation of Crack and Surrounding Damage in Stiff Clays

DTIC Science & Technology

1988-09-01

equation of state is written in terms of entropy production. A generalized flux is identified as the centroidal movement of the damage zone, and the...on the following governing equation. I I a14 ( 1.1] Ti = z ’_Xc + "_.wXrOt + a.’X ef = 0 where Si is the global entropy production, 1, , and a are...convenient to express the internal energy density u in terms of i Gibb’s potential density and the entropy density s [6.3] u = g + Ts +’ijciji Here

A mechanism producing power law etc. distributions

NASA Astrophysics Data System (ADS)

Li, Heling; Shen, Hongjun; Yang, Bin

2017-07-01

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

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.

Extended statistical entropy analysis as a quantitative management tool for water resource systems

NASA Astrophysics Data System (ADS)

Sobantka, Alicja; Rechberger, Helmut

2010-05-01

The use of entropy in hydrology and water resources has been applied to various applications. As water resource systems are inherently spatial and complex, a stochastic description of these systems is needed, and entropy theory enables development of such a description by providing determination of the least-biased probability distributions with limited knowledge and data. Entropy can also serve as a basis for risk and reliability analysis. The relative entropy has been variously interpreted as a measure freedom of choice, uncertainty and disorder, information content, missing information or information gain or loss. In the analysis of empirical data, entropy is another measure of dispersion, an alternative to the variance. Also, as an evaluation tool, the statistical entropy analysis (SEA) has been developed by previous workers to quantify the power of a process to concentrate chemical elements. Within this research programme the SEA is aimed to be extended for application to chemical compounds and tested for its deficits and potentials in systems where water resources play an important role. The extended SEA (eSEA) will be developed first for the nitrogen balance in waste water treatment plants (WWTP). Later applications on the emission of substances to water bodies such as groundwater (e.g. leachate from landfills) will also be possible. By applying eSEA to the nitrogen balance in a WWTP, all possible nitrogen compounds, which may occur during the water treatment process, are taken into account and are quantified in their impact towards the environment and human health. It has been shown that entropy reducing processes are part of modern waste management. Generally, materials management should be performed in a way that significant entropy rise is avoided. The entropy metric might also be used to perform benchmarking on WWTPs. The result out of this management tool would be the determination of the efficiency of WWTPs. By improving and optimizing the efficiency of WWTPs with respect to the state-of-the-art of technology, waste water treatment could become more resources preserving.

Entropy-Based Search Algorithm for Experimental Design

NASA Astrophysics Data System (ADS)

Malakar, N. K.; Knuth, K. H.

2011-03-01

The scientific method relies on the iterated processes of inference and inquiry. The inference phase consists of selecting the most probable models based on the available data; whereas the inquiry phase consists of using what is known about the models to select the most relevant experiment. Optimizing inquiry involves searching the parameterized space of experiments to select the experiment that promises, on average, to be maximally informative. In the case where it is important to learn about each of the model parameters, the relevance of an experiment is quantified by Shannon entropy of the distribution of experimental outcomes predicted by a probable set of models. If the set of potential experiments is described by many parameters, we must search this high-dimensional entropy space. Brute force search methods will be slow and computationally expensive. We present an entropy-based search algorithm, called nested entropy sampling, to select the most informative experiment for efficient experimental design. This algorithm is inspired by Skilling's nested sampling algorithm used in inference and borrows the concept of a rising threshold while a set of experiment samples are maintained. We demonstrate that this algorithm not only selects highly relevant experiments, but also is more efficient than brute force search. Such entropic search techniques promise to greatly benefit autonomous experimental design.

Fast and Efficient Stochastic Optimization for Analytic Continuation

DOE PAGES

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

2016-09-28

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

Development of a novel high-entropy alloy with eminent efficiency of degrading azo dye solutions

PubMed Central

Lv, Z. Y.; Liu, X. J.; Jia, B.; Wang, H.; Wu, Y.; Lu, Z. P.

2016-01-01

In addition to its scientific importance, the degradation of azo dyes is of practical significance from the perspective of environmental protection. Although encouraging progress has been made on developing degradation approaches and materials, it is still challenging to fully resolve this long-standing problem. Herein, we report that high entropy alloys, which have been emerging as a new class of metallic materials in the last decade, have excellent performance in degradation of azo dyes. In particular, the newly developed AlCoCrTiZn high-entropy alloy synthesized by mechanical alloying exhibits a prominent efficiency in degradation of the azo dye (Direct Blue 6: DB6), as high as that of the best metallic glass reported so far. The newly developed AlCoCrTiZn HEA powder has low activation energy barrier, i.e., 30 kJ/mol, for the degrading reaction and thus make the occurrence of reaction easier as compared with other materials such as the glassy Fe-based powders. The excellent capability of our high-entropy alloys in degrading azo dye is attributed to their unique atomic structure with severe lattice distortion, chemical composition effect, residual stress and high specific surface area. Our findings have important implications in developing novel high-entropy alloys for functional applications as catalyst materials. PMID:27677462

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.

Computational Methods for Configurational Entropy Using Internal and Cartesian Coordinates.

PubMed

Hikiri, Simon; Yoshidome, Takashi; Ikeguchi, Mitsunori

2016-12-13

The configurational entropy of solute molecules is a crucially important quantity to study various biophysical processes. Consequently, it is necessary to establish an efficient quantitative computational method to calculate configurational entropy as accurately as possible. In the present paper, we investigate the quantitative performance of the quasi-harmonic and related computational methods, including widely used methods implemented in popular molecular dynamics (MD) software packages, compared with the Clausius method, which is capable of accurately computing the change of the configurational entropy upon temperature change. Notably, we focused on the choice of the coordinate systems (i.e., internal or Cartesian coordinates). The Boltzmann-quasi-harmonic (BQH) method using internal coordinates outperformed all the six methods examined here. The introduction of improper torsions in the BQH method improves its performance, and anharmonicity of proper torsions in proteins is identified to be the origin of the superior performance of the BQH method. In contrast, widely used methods implemented in MD packages show rather poor performance. In addition, the enhanced sampling of replica-exchange MD simulations was found to be efficient for the convergent behavior of entropy calculations. Also in folding/unfolding transitions of a small protein, Chignolin, the BQH method was reasonably accurate. However, the independent term without the correlation term in the BQH method was most accurate for the folding entropy among the methods considered in this study, because the QH approximation of the correlation term in the BQH method was no longer valid for the divergent unfolded structures.

Efficiency at maximum power output of linear irreversible Carnot-like heat engines.

PubMed

Wang, Yang; Tu, Z C

2012-01-01

The efficiency at maximum power output of linear irreversible Carnot-like heat engines is investigated based on the assumption that the rate of irreversible entropy production of the working substance in each "isothermal" process is a quadratic form of the heat exchange rate between the working substance and the reservoir. It is found that the maximum power output corresponds to minimizing the irreversible entropy production in two isothermal processes of the Carnot-like cycle, and that the efficiency at maximum power output has the form η(mP)=η(C)/(2-γη(C)), where η(C) is the Carnot efficiency, while γ depends on the heat transfer coefficients between the working substance and two reservoirs. The value of η(mP) is bounded between η(-)≡η(C)/2 and η(+)≡η(C)/(2-η(C)). These results are consistent with those obtained by Chen and Yan [J. Chem. Phys. 90, 3740 (1989)] based on the endoreversible assumption, those obtained by Esposito et al. [Phys. Rev. Lett. 105, 150603 (2010)] based on the low-dissipation assumption, and those obtained by Schmiedl and Seifert [Europhys. Lett. 81, 20003 (2008)] for stochastic heat engines which in fact also satisfy the low-dissipation assumption. Additionally, we find that the endoreversible assumption happens to hold for Carnot-like heat engines operating at the maximum power output based on our fundamental assumption, and that the Carnot-like heat engines that we focused on do not strictly satisfy the low-dissipation assumption, which implies that the low-dissipation assumption or our fundamental assumption is a sufficient but non-necessary condition for the validity of η(mP)=η(C)/(2-γη(C)) as well as the existence of two bounds, η(-)≡η(C)/2 and η(+)≡η(C)/(2-η(C)). © 2012 American Physical Society

Efficiency at maximum power output of linear irreversible Carnot-like heat engines

NASA Astrophysics Data System (ADS)

Wang, Yang; Tu, Z. C.

2012-01-01

The efficiency at maximum power output of linear irreversible Carnot-like heat engines is investigated based on the assumption that the rate of irreversible entropy production of the working substance in each “isothermal” process is a quadratic form of the heat exchange rate between the working substance and the reservoir. It is found that the maximum power output corresponds to minimizing the irreversible entropy production in two isothermal processes of the Carnot-like cycle, and that the efficiency at maximum power output has the form ηmP=ηC/(2-γηC), where ηC is the Carnot efficiency, while γ depends on the heat transfer coefficients between the working substance and two reservoirs. The value of ηmP is bounded between η-≡ηC/2 and η+≡ηC/(2-ηC). These results are consistent with those obtained by Chen and Yan [J. Chem. Phys.JCPSA60021-960610.1063/1.455832 90, 3740 (1989)] based on the endoreversible assumption, those obtained by Esposito [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.105.150603 105, 150603 (2010)] based on the low-dissipation assumption, and those obtained by Schmiedl and Seifert [Europhys. Lett.EULEEJ0295-507510.1209/0295-5075/81/20003 81, 20003 (2008)] for stochastic heat engines which in fact also satisfy the low-dissipation assumption. Additionally, we find that the endoreversible assumption happens to hold for Carnot-like heat engines operating at the maximum power output based on our fundamental assumption, and that the Carnot-like heat engines that we focused on do not strictly satisfy the low-dissipation assumption, which implies that the low-dissipation assumption or our fundamental assumption is a sufficient but non-necessary condition for the validity of ηmP=ηC/(2-γηC) as well as the existence of two bounds, η-≡ηC/2 and η+≡ηC/(2-ηC).

Squeezed states and graviton-entropy production in the early universe

NASA Technical Reports Server (NTRS)

Giovannini, Massimo

1994-01-01

Squeezed states are a very useful framework for the quantum treatment of tensor perturbations (i.e. gravitons production) in the early universe. In particular, the non equilibrium entropy growth in a cosmological process of pair production is completely determined by the associated squeezing parameter and is insensitive to the number of particles in the initial state. The total produced entropy may represent a significant fraction of the entropy stored today in the cosmic blackbody radiation, provided pair production originates from a change in the background metric at a curvature scale of the Planck order. Within the formalism of squeezed thermal states it is also possible to discuss the stimulated emission of gravitons from an initial thermal bath, under the action of the cosmic gravitational background field. We find that at low energy the graviton production is enhanced, if compared with spontaneous creation from the vacuum; as a consequence, the inflation scale must be lowered, in order not to exceed the observed CMB quadrupole anisotropy. This effect is important, in particular, for models based on a symmetry-breaking transition which require, as initial condition, a state of thermal equilibrium at temperatures higher than the inflation scale and in which inflation has a minimal duration.

Enhanced automatic artifact detection based on independent component analysis and Renyi's entropy.

PubMed

Mammone, Nadia; Morabito, Francesco Carlo

2008-09-01

Artifacts are disturbances that may occur during signal acquisition and may affect their processing. The aim of this paper is to propose a technique for automatically detecting artifacts from the electroencephalographic (EEG) recordings. In particular, a technique based on both Independent Component Analysis (ICA) to extract artifactual signals and on Renyi's entropy to automatically detect them is presented. This technique is compared to the widely known approach based on ICA and the joint use of kurtosis and Shannon's entropy. The novel processing technique is shown to detect on average 92.6% of the artifactual signals against the average 68.7% of the previous technique on the studied available database. Moreover, Renyi's entropy is shown to be able to detect muscle and very low frequency activity as well as to discriminate them from other kinds of artifacts. In order to achieve an efficient rejection of the artifacts while minimizing the information loss, future efforts will be devoted to the improvement of blind artifact separation from EEG in order to ensure a very efficient isolation of the artifactual activity from any signals deriving from other brain tasks.

Fusion information entropy method of rolling bearing fault diagnosis based on n-dimensional characteristic parameter distance

NASA Astrophysics Data System (ADS)

Ai, Yan-Ting; Guan, Jiao-Yue; Fei, Cheng-Wei; Tian, Jing; Zhang, Feng-Ling

2017-05-01

To monitor rolling bearing operating status with casings in real time efficiently and accurately, a fusion method based on n-dimensional characteristic parameters distance (n-DCPD) was proposed for rolling bearing fault diagnosis with two types of signals including vibration signal and acoustic emission signals. The n-DCPD was investigated based on four information entropies (singular spectrum entropy in time domain, power spectrum entropy in frequency domain, wavelet space characteristic spectrum entropy and wavelet energy spectrum entropy in time-frequency domain) and the basic thought of fusion information entropy fault diagnosis method with n-DCPD was given. Through rotor simulation test rig, the vibration and acoustic emission signals of six rolling bearing faults (ball fault, inner race fault, outer race fault, inner-ball faults, inner-outer faults and normal) are collected under different operation conditions with the emphasis on the rotation speed from 800 rpm to 2000 rpm. In the light of the proposed fusion information entropy method with n-DCPD, the diagnosis of rolling bearing faults was completed. The fault diagnosis results show that the fusion entropy method holds high precision in the recognition of rolling bearing faults. The efforts of this study provide a novel and useful methodology for the fault diagnosis of an aeroengine rolling bearing.

Financial time series analysis based on effective phase transfer entropy

NASA Astrophysics Data System (ADS)

Yang, Pengbo; Shang, Pengjian; Lin, Aijing

2017-02-01

Transfer entropy is a powerful technique which is able to quantify the impact of one dynamic system on another system. In this paper, we propose the effective phase transfer entropy method based on the transfer entropy method. We use simulated data to test the performance of this method, and the experimental results confirm that the proposed approach is capable of detecting the information transfer between the systems. We also explore the relationship between effective phase transfer entropy and some variables, such as data size, coupling strength and noise. The effective phase transfer entropy is positively correlated with the data size and the coupling strength. Even in the presence of a large amount of noise, it can detect the information transfer between systems, and it is very robust to noise. Moreover, this measure is indeed able to accurately estimate the information flow between systems compared with phase transfer entropy. In order to reflect the application of this method in practice, we apply this method to financial time series and gain new insight into the interactions between systems. It is demonstrated that the effective phase transfer entropy can be used to detect some economic fluctuations in the financial market. To summarize, the effective phase transfer entropy method is a very efficient tool to estimate the information flow between systems.

Efficient Transfer Entropy Analysis of Non-Stationary Neural Time Series

PubMed Central

Vicente, Raul; Díaz-Pernas, Francisco J.; Wibral, Michael

2014-01-01

Information theory allows us to investigate information processing in neural systems in terms of information transfer, storage and modification. Especially the measure of information transfer, transfer entropy, has seen a dramatic surge of interest in neuroscience. Estimating transfer entropy from two processes requires the observation of multiple realizations of these processes to estimate associated probability density functions. To obtain these necessary observations, available estimators typically assume stationarity of processes to allow pooling of observations over time. This assumption however, is a major obstacle to the application of these estimators in neuroscience as observed processes are often non-stationary. As a solution, Gomez-Herrero and colleagues theoretically showed that the stationarity assumption may be avoided by estimating transfer entropy from an ensemble of realizations. Such an ensemble of realizations is often readily available in neuroscience experiments in the form of experimental trials. Thus, in this work we combine the ensemble method with a recently proposed transfer entropy estimator to make transfer entropy estimation applicable to non-stationary time series. We present an efficient implementation of the approach that is suitable for the increased computational demand of the ensemble method's practical application. In particular, we use a massively parallel implementation for a graphics processing unit to handle the computationally most heavy aspects of the ensemble method for transfer entropy estimation. We test the performance and robustness of our implementation on data from numerical simulations of stochastic processes. We also demonstrate the applicability of the ensemble method to magnetoencephalographic data. While we mainly evaluate the proposed method for neuroscience data, we expect it to be applicable in a variety of fields that are concerned with the analysis of information transfer in complex biological, social, and artificial systems. PMID:25068489

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

PubMed Central

2013-01-01

Here we present a novel, end-point method using the dead-end-elimination and A* algorithms to efficiently and accurately calculate the change in free energy, enthalpy, and configurational entropy of binding for ligand–receptor association reactions. We apply the new approach to the binding of a series of human immunodeficiency virus (HIV-1) protease inhibitors to examine the effect ensemble reranking has on relative accuracy as well as to evaluate the role of the absolute and relative ligand configurational entropy losses upon binding in affinity differences for structurally related inhibitors. Our results suggest that most thermodynamic parameters can be estimated using only a small fraction of the full configurational space, and we see significant improvement in relative accuracy when using an ensemble versus single-conformer approach to ligand ranking. We also find that using approximate metrics based on the single-conformation enthalpy differences between the global minimum energy configuration in the bound as well as unbound states also correlates well with experiment. Using a novel, additive entropy expansion based on conditional mutual information, we also analyze the source of ligand configurational entropy loss upon binding in terms of both uncoupled per degree of freedom losses as well as changes in coupling between inhibitor degrees of freedom. We estimate entropic free energy losses of approximately +24 kcal/mol, 12 kcal/mol of which stems from loss of translational and rotational entropy. Coupling effects contribute only a small fraction to the overall entropy change (1–2 kcal/mol) but suggest differences in how inhibitor dihedral angles couple to each other in the bound versus unbound states. The importance of accounting for flexibility in drug optimization and design is also discussed. PMID:24250277

Entropy in statistical energy analysis.

PubMed

Le Bot, Alain

2009-03-01

In this paper, the second principle of thermodynamics is discussed in the framework of statistical energy analysis (SEA). It is shown that the "vibrational entropy" and the "vibrational temperature" of sub-systems only depend on the vibrational energy and the number of resonant modes. A SEA system can be described as a thermodynamic system slightly out of equilibrium. In steady-state condition, the entropy exchanged with exterior by sources and dissipation exactly balances the production of entropy by irreversible processes at interface between SEA sub-systems.

Entropy and econophysics

NASA Astrophysics Data System (ADS)

Rosser, J. Barkley

2016-12-01

Entropy is a central concept of statistical mechanics, which is the main branch of physics that underlies econophysics, the application of physics concepts to understand economic phenomena. It enters into econophysics both in an ontological way through the Second Law of Thermodynamics as this drives the world economy from its ecological foundations as solar energy passes through food chains in dissipative process of entropy rising and production fundamentally involving the replacement of lower entropy energy states with higher entropy ones. In contrast the mathematics of entropy as appearing in information theory becomes the basis for modeling financial market dynamics as well as income and wealth distribution dynamics. It also provides the basis for an alternative view of stochastic price equilibria in economics, as well providing a crucial link between econophysics and sociophysics, keeping in mind the essential unity of the various concepts of entropy.

Modeling Information Content Via Dirichlet-Multinomial Regression Analysis.

PubMed

Ferrari, Alberto

2017-01-01

Shannon entropy is being increasingly used in biomedical research as an index of complexity and information content in sequences of symbols, e.g. languages, amino acid sequences, DNA methylation patterns and animal vocalizations. Yet, distributional properties of information entropy as a random variable have seldom been the object of study, leading to researchers mainly using linear models or simulation-based analytical approach to assess differences in information content, when entropy is measured repeatedly in different experimental conditions. Here a method to perform inference on entropy in such conditions is proposed. Building on results coming from studies in the field of Bayesian entropy estimation, a symmetric Dirichlet-multinomial regression model, able to deal efficiently with the issue of mean entropy estimation, is formulated. Through a simulation study the model is shown to outperform linear modeling in a vast range of scenarios and to have promising statistical properties. As a practical example, the method is applied to a data set coming from a real experiment on animal communication.

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

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Renyi entanglement entropy of interacting fermions calculated using the continuous-time quantum Monte Carlo method.

PubMed

Wang, Lei; Troyer, Matthias

2014-09-12

We present a new algorithm for calculating the Renyi entanglement entropy of interacting fermions using the continuous-time quantum Monte Carlo method. The algorithm only samples the interaction correction of the entanglement entropy, which by design ensures the efficient calculation of weakly interacting systems. Combined with Monte Carlo reweighting, the algorithm also performs well for systems with strong interactions. We demonstrate the potential of this method by studying the quantum entanglement signatures of the charge-density-wave transition of interacting fermions on a square lattice.

Microscopic theory for the time irreversibility and the entropy production

NASA Astrophysics Data System (ADS)

Chun, Hyun-Myung; Noh, Jae Dong

2018-02-01

In stochastic thermodynamics, the entropy production of a thermodynamic system is defined by the irreversibility measured by the logarithm of the ratio of the path probabilities in the forward and reverse processes. We derive the relation between the irreversibility and the entropy production starting from the deterministic equations of motion of the whole system consisting of a physical system and a surrounding thermal environment. The derivation assumes the Markov approximation that the environmental degrees of freedom equilibrate instantaneously. Our approach provides a guideline for the choice of the proper reverse process to a given forward process, especially when there exists a velocity-dependent force. We demonstrate our idea with an example of a charged particle in the presence of a time-varying magnetic field.

Entropy production in a Glauber–Ising irreversible model with dynamical competition

NASA Astrophysics Data System (ADS)

Barbosa, Oscar A.; Tomé, Tânia

2018-06-01

An out of equilibrium Glauber–Ising model, evolving in accordance with an irreversible and stochastic Markovian dynamics, is analyzed in order to improve our comprehension concerning critical behavior and phase transitions in nonequilibrium systems. Therefore, a lattice model ruled by the competition between two Glauber dynamics acting on interlaced square lattices is proposed. Previous results have shown how the entropy production provides information about irreversibility and criticality. Mean-field approximations and Monte Carlo simulations were used in the analysis. The results obtained here show a continuous phase transition, reflected in the entropy production as a logarithmic divergence of its derivative, which suggests a shared universality class with the irreversible models invariant under the symmetry operations of the Ising model.

On Entropy Production in the Madelung Fluid and the Role of Bohm's Potential in Classical Diffusion

NASA Astrophysics Data System (ADS)

Heifetz, Eyal; Tsekov, Roumen; Cohen, Eliahu; Nussinov, Zohar

2016-07-01

The Madelung equations map the non-relativistic time-dependent Schrödinger equation into hydrodynamic equations of a virtual fluid. While the von Neumann entropy remains constant, we demonstrate that an increase of the Shannon entropy, associated with this Madelung fluid, is proportional to the expectation value of its velocity divergence. Hence, the Shannon entropy may grow (or decrease) due to an expansion (or compression) of the Madelung fluid. These effects result from the interference between solutions of the Schrödinger equation. Growth of the Shannon entropy due to expansion is common in diffusive processes. However, in the latter the process is irreversible while the processes in the Madelung fluid are always reversible. The relations between interference, compressibility and variation of the Shannon entropy are then examined in several simple examples. Furthermore, we demonstrate that for classical diffusive processes, the "force" accelerating diffusion has the form of the positive gradient of the quantum Bohm potential. Expressing then the diffusion coefficient in terms of the Planck constant reveals the lower bound given by the Heisenberg uncertainty principle in terms of the product between the gas mean free path and the Brownian momentum.

Time reversibility from visibility graphs of nonstationary processes

NASA Astrophysics Data System (ADS)

Lacasa, Lucas; Flanagan, Ryan

2015-08-01

Visibility algorithms are a family of methods to map time series into networks, with the aim of describing the structure of time series and their underlying dynamical properties in graph-theoretical terms. Here we explore some properties of both natural and horizontal visibility graphs associated to several nonstationary processes, and we pay particular attention to their capacity to assess time irreversibility. Nonstationary signals are (infinitely) irreversible by definition (independently of whether the process is Markovian or producing entropy at a positive rate), and thus the link between entropy production and time series irreversibility has only been explored in nonequilibrium stationary states. Here we show that the visibility formalism naturally induces a new working definition of time irreversibility, which allows us to quantify several degrees of irreversibility for stationary and nonstationary series, yielding finite values that can be used to efficiently assess the presence of memory and off-equilibrium dynamics in nonstationary processes without the need to differentiate or detrend them. We provide rigorous results complemented by extensive numerical simulations on several classes of stochastic processes.

On the efficiency of sovereign bond markets

NASA Astrophysics Data System (ADS)

Zunino, Luciano; Fernández Bariviera, Aurelio; Guercio, M. Belén; Martinez, Lisana B.; Rosso, Osvaldo A.

2012-09-01

The existence of memory in financial time series has been extensively studied for several stock markets around the world by means of different approaches. However, fixed income markets, i.e. those where corporate and sovereign bonds are traded, have been much less studied. We believe that, given the relevance of these markets, not only from the investors', but also from the issuers' point of view (government and firms), it is necessary to fill this gap in the literature. In this paper, we study the sovereign market efficiency of thirty bond indices of both developed and emerging countries, using an innovative statistical tool in the financial literature: the complexity-entropy causality plane. This representation space allows us to establish an efficiency ranking of different markets and distinguish different bond market dynamics. We conclude that the classification derived from the complexity-entropy causality plane is consistent with the qualifications assigned by major rating companies to the sovereign instruments. Additionally, we find a correlation between permutation entropy, economic development and market size that could be of interest for policy makers and investors.

Sort entropy-based for the analysis of EEG during anesthesia

NASA Astrophysics Data System (ADS)

Ma, Liang; Huang, Wei-Zhi

2010-08-01

The monitoring of anesthetic depth is an absolutely necessary procedure in the process of surgical operation. To judge and control the depth of anesthesia has become a clinical issue which should be resolved urgently. EEG collected wiil be processed by sort entrop in this paper. Signal response of the surface of the cerebral cortex is determined for different stages of patients in the course of anesthesia. EEG is simulated and analyzed through the fast algorithm of sort entropy. The results show that discipline of phasic changes for EEG is very detected accurately,and it has better noise immunity in detecting the EEG anaesthetized than approximate entropy. In conclusion,the computing of Sort entropy algorithm requires shorter time. It has high efficiency and strong anti-interference.

Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulations.

PubMed

Lin, Shiang-Tai; Maiti, Prabal K; Goddard, William A

2010-06-24

Presented here is the two-phase thermodynamic (2PT) model for the calculation of energy and entropy of molecular fluids from the trajectory of molecular dynamics (MD) simulations. In this method, the density of state (DoS) functions (including the normal modes of translation, rotation, and intramolecular vibration motions) are determined from the Fourier transform of the corresponding velocity autocorrelation functions. A fluidicity parameter (f), extracted from the thermodynamic state of the system derived from the same MD, is used to partition the translation and rotation modes into a diffusive, gas-like component (with 3Nf degrees of freedom) and a nondiffusive, solid-like component. The thermodynamic properties, including the absolute value of entropy, are then obtained by applying quantum statistics to the solid component and applying hard sphere/rigid rotor thermodynamics to the gas component. The 2PT method produces exact thermodynamic properties of the system in two limiting states: the nondiffusive solid state (where the fluidicity is zero) and the ideal gas state (where the fluidicity becomes unity). We examine the 2PT entropy for various water models (F3C, SPC, SPC/E, TIP3P, and TIP4P-Ew) at ambient conditions and find good agreement with literature results obtained based on other simulation techniques. We also validate the entropy of water in the liquid and vapor phases along the vapor-liquid equilibrium curve from the triple point to the critical point. We show that this method produces converged liquid phase entropy in tens of picoseconds, making it an efficient means for extracting thermodynamic properties from MD simulations.

Entropy Production in Field Theories without Time-Reversal Symmetry: Quantifying the Non-Equilibrium Character of Active Matter

NASA Astrophysics Data System (ADS)

Nardini, Cesare; Fodor, Étienne; Tjhung, Elsen; van Wijland, Frédéric; Tailleur, Julien; Cates, Michael E.

2017-04-01

Active-matter systems operate far from equilibrium because of the continuous energy injection at the scale of constituent particles. At larger scales, described by coarse-grained models, the global entropy production rate S quantifies the probability ratio of forward and reversed dynamics and hence the importance of irreversibility at such scales: It vanishes whenever the coarse-grained dynamics of the active system reduces to that of an effective equilibrium model. We evaluate S for a class of scalar stochastic field theories describing the coarse-grained density of self-propelled particles without alignment interactions, capturing such key phenomena as motility-induced phase separation. We show how the entropy production can be decomposed locally (in real space) or spectrally (in Fourier space), allowing detailed examination of the spatial structure and correlations that underly departures from equilibrium. For phase-separated systems, the local entropy production is concentrated mainly on interfaces, with a bulk contribution that tends to zero in the weak-noise limit. In homogeneous states, we find a generalized Harada-Sasa relation that directly expresses the entropy production in terms of the wave-vector-dependent deviation from the fluctuation-dissipation relation between response functions and correlators. We discuss extensions to the case where the particle density is coupled to a momentum-conserving solvent and to situations where the particle current, rather than the density, should be chosen as the dynamical field. We expect the new conceptual tools developed here to be broadly useful in the context of active matter, allowing one to distinguish when and where activity plays an essential role in the dynamics.

Quantum engine efficiency bound beyond the second law of thermodynamics.

PubMed

Niedenzu, Wolfgang; Mukherjee, Victor; Ghosh, Arnab; Kofman, Abraham G; Kurizki, Gershon

2018-01-11

According to the second law, the efficiency of cyclic heat engines is limited by the Carnot bound that is attained by engines that operate between two thermal baths under the reversibility condition whereby the total entropy does not increase. Quantum engines operating between a thermal and a squeezed-thermal bath have been shown to surpass this bound. Yet, their maximum efficiency cannot be determined by the reversibility condition, which may yield an unachievable efficiency bound above unity. Here we identify the fraction of the exchanged energy between a quantum system and a bath that necessarily causes an entropy change and derive an inequality for this change. This inequality reveals an efficiency bound for quantum engines energised by a non-thermal bath. This bound does not imply reversibility, unless the two baths are thermal. It cannot be solely deduced from the laws of thermodynamics.

Statistical Mechanics of the Human Placenta: A Stationary State of a Near-Equilibrium System in a Linear Regime.

PubMed

Lecarpentier, Yves; Claes, Victor; Hébert, Jean-Louis; Krokidis, Xénophon; Blanc, François-Xavier; Michel, Francine; Timbely, Oumar

2015-01-01

All near-equilibrium systems under linear regime evolve to stationary states in which there is constant entropy production rate. In an open chemical system that exchanges matter and energy with the exterior, we can identify both the energy and entropy flows associated with the exchange of matter and energy. This can be achieved by applying statistical mechanics (SM), which links the microscopic properties of a system to its bulk properties. In the case of contractile tissues such as human placenta, Huxley's equations offer a phenomenological formalism for applying SM. SM was investigated in human placental stem villi (PSV) (n = 40). PSV were stimulated by means of KCl exposure (n = 20) and tetanic electrical stimulation (n = 20). This made it possible to determine statistical entropy (S), internal energy (E), affinity (A), thermodynamic force (A / T) (T: temperature), thermodynamic flow (v) and entropy production rate (A / T x v). We found that PSV operated near equilibrium, i.e., A ≺≺ 2500 J/mol and in a stationary linear regime, i.e., (A / T) varied linearly with v. As v was dramatically low, entropy production rate which quantified irreversibility of chemical processes appeared to be the lowest ever observed in any contractile system.

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.

Electron Heating in Low-Mach-number Perpendicular Shocks. I. Heating Mechanism

NASA Astrophysics Data System (ADS)

Guo, Xinyi; Sironi, Lorenzo; Narayan, Ramesh

2017-12-01

Recent X-ray observations of merger shocks in galaxy clusters have shown that the postshock plasma has two temperatures, with the protons hotter than the electrons. By means of two-dimensional particle-in-cell simulations, we study the physics of electron irreversible heating in low-Mach-number perpendicular shocks, for a representative case with sonic Mach number of 3 and plasma beta of 16. We find that two basic ingredients are needed for electron entropy production: (1) an electron temperature anisotropy, induced by field amplification coupled to adiabatic invariance; and (2) a mechanism to break the electron adiabatic invariance itself. In shocks, field amplification occurs at two major sites: at the shock ramp, where density compression leads to an increase of the frozen-in field; and farther downstream, where the shock-driven proton temperature anisotropy generates strong proton cyclotron and mirror modes. The electron temperature anisotropy induced by field amplification exceeds the threshold of the electron whistler instability. The growth of whistler waves breaks the electron adiabatic invariance and allows for efficient entropy production. For our reference run, the postshock electron temperature exceeds the adiabatic expectation by ≃ 15 % , resulting in an electron-to-proton temperature ratio of ≃ 0.45. We find that the electron heating efficiency displays only a weak dependence on mass ratio (less than ≃ 30 % drop, as we increase the mass ratio from {m}i/{m}e=49 up to {m}i/{m}e=1600). We develop an analytical model of electron irreversible heating and show that it is in excellent agreement with our simulation results.

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

PubMed

Kleidon, Axel

2009-06-01

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

Statistical physics inspired energy-efficient coded-modulation for optical communications.

PubMed

Djordjevic, Ivan B; Xu, Lei; Wang, Ting

2012-04-15

Because Shannon's entropy can be obtained by Stirling's approximation of thermodynamics entropy, the statistical physics energy minimization methods are directly applicable to the signal constellation design. We demonstrate that statistical physics inspired energy-efficient (EE) signal constellation designs, in combination with large-girth low-density parity-check (LDPC) codes, significantly outperform conventional LDPC-coded polarization-division multiplexed quadrature amplitude modulation schemes. We also describe an EE signal constellation design algorithm. Finally, we propose the discrete-time implementation of D-dimensional transceiver and corresponding EE polarization-division multiplexed system. © 2012 Optical Society of America

Entropy Production and Fluctuation Theorems for Active Matter

NASA Astrophysics Data System (ADS)

Mandal, Dibyendu; Klymko, Katherine; DeWeese, Michael R.

2017-12-01

Active biological systems reside far from equilibrium, dissipating heat even in their steady state, thus requiring an extension of conventional equilibrium thermodynamics and statistical mechanics. In this Letter, we have extended the emerging framework of stochastic thermodynamics to active matter. In particular, for the active Ornstein-Uhlenbeck model, we have provided consistent definitions of thermodynamic quantities such as work, energy, heat, entropy, and entropy production at the level of single, stochastic trajectories and derived related fluctuation relations. We have developed a generalization of the Clausius inequality, which is valid even in the presence of the non-Hamiltonian dynamics underlying active matter systems. We have illustrated our results with explicit numerical studies.

Configurational entropy and ρ and ϕ mesons production in QCD

NASA Astrophysics Data System (ADS)

Karapetyan, G.

2018-06-01

In the present work the electroproduction for diffractive ρ and ϕ mesons by considering AdS/QCD correspondence and Color Glass Condensate (CGC) approximation are studied with respect to the associated dipole cross section, whose parameters are studied and analysed in the framework of the configurational entropy. Our results suggest different quantum states of the nuclear matter, showing that the extremal points of the nuclear configurational entropy is able to reflect a true description of the ρ and ϕ mesons production, using current data concerning light quark masses. During the computations parameters, obtained in fitting procedure, coincide to the experimental within ∼ 0.1%.

Pattern formation in nonextensive thermodynamics: selection criterion based on the Renyi entropy production.

PubMed

Cybulski, Olgierd; Matysiak, Daniel; Babin, Volodymyr; Holyst, Robert

2005-05-01

We analyze a system of two different types of Brownian particles confined in a cubic box with periodic boundary conditions. Particles of different types annihilate when they come into close contact. The annihilation rate is matched by the birth rate, thus the total number of each kind of particles is conserved. When in a stationary state, the system is divided by an interface into two subregions, each occupied by one type of particles. All possible stationary states correspond to the Laplacian eigenfunctions. We show that the system evolves towards those stationary distributions of particles which minimize the Renyi entropy production. In all cases, the Renyi entropy production decreases monotonically during the evolution despite the fact that the topology and geometry of the interface exhibit abrupt and violent changes.

A practical comparison of algorithms for the measurement of multiscale entropy in neural time series data.

PubMed

Kuntzelman, Karl; Jack Rhodes, L; Harrington, Lillian N; Miskovic, Vladimir

2018-06-01

There is a broad family of statistical methods for capturing time series regularity, with increasingly widespread adoption by the neuroscientific community. A common feature of these methods is that they permit investigators to quantify the entropy of brain signals - an index of unpredictability/complexity. Despite the proliferation of algorithms for computing entropy from neural time series data there is scant evidence concerning their relative stability and efficiency. Here we evaluated several different algorithmic implementations (sample, fuzzy, dispersion and permutation) of multiscale entropy in terms of their stability across sessions, internal consistency and computational speed, accuracy and precision using a combination of electroencephalogram (EEG) and synthetic 1/ƒ noise signals. Overall, we report fair to excellent internal consistency and longitudinal stability over a one-week period for the majority of entropy estimates, with several caveats. Computational timing estimates suggest distinct advantages for dispersion and permutation entropy over other entropy estimates. Considered alongside the psychometric evidence, we suggest several ways in which researchers can maximize computational resources (without sacrificing reliability), especially when working with high-density M/EEG data or multivoxel BOLD time series signals. Copyright © 2018 Elsevier Inc. All rights reserved.

Characterization of Early Partial Seizure Onset: Frequency, Complexity and Entropy

PubMed Central

Jouny, Christophe C.; Bergey, Gregory K.

2011-01-01

Objective A clear classification of partial seizures onset features is not yet established. Complexity and entropy have been very widely used to describe dynamical systems, but a systematic evaluation of these measures to characterize partial seizures has never been performed. Methods Eighteen different measures including power in frequency bands up to 300Hz, Gabor atom density (GAD), Higuchi fractal dimension (HFD), Lempel-Ziv complexity, Shannon entropy, sample entropy, and permutation entropy, were selected to test sensitivity to partial seizure onset. Intracranial recordings from forty-five patients with mesial temporal, neocortical temporal and neocortical extratemporal seizure foci were included (331 partial seizures). Results GAD, Lempel-Ziv complexity, HFD, high frequency activity, and sample entropy were the most reliable measures to assess early seizure onset. Conclusions Increases in complexity and occurrence of high-frequency components appear to be commonly associated with early stages of partial seizure evolution from all regions. The type of measure (frequency-based, complexity or entropy) does not predict the efficiency of the method to detect seizure onset. Significance Differences between measures such as GAD and HFD highlight the multimodal nature of partial seizure onsets. Improved methods for early seizure detection may be achieved from a better understanding of these underlying dynamics. PMID:21872526

Magnetic Stirling cycles - A new application for magnetic materials

NASA Technical Reports Server (NTRS)

Brown, G. V.

1977-01-01

There is the prospect of a fundamental new application for magnetic materials as the working substance in thermodynamic cycles. Recuperative cycles which use a rare-earth ferromagnetic material near its Curie point in the field of a superconducting magnet appear feasible for applications from below 20 K to above room temperature. The elements of the cycle, advanced in an earlier paper, are summarized. The basic advantages include high entropy density in the magnetic material, completely reversible processes, convenient control of the entropy by the applied field, the feature that heat transfer is possible during all processes, and the ability of the ideal cycle to attain Carnot efficiency. The mean field theory is used to predict the entropy of a ferromagnet in an applied field and also the isothermal entropy change and isentropic temperature change caused by applying a field. Results are presented for J = 7/2 and g = 2. The results for isentropic temperature change are compared with experimental data on Gd. Coarse mixtures of ferromagnetic materials with different Curie points are proposed to modify the path of the cycle in the T-S diagram in order to improve the efficiency or to increase the specific power.

Dynamic Impact Behaviour of High Entropy Alloys Used in the Military Domain

NASA Astrophysics Data System (ADS)

Geantă, V.; Voiculescu, I.; Stefănoiu, R.; Chereches, T.; Zecheru, T.; Matache, L.; Rotariu, A.

2018-06-01

AlFeCrCoNi high entropy alloys (HEA) feature significant compressive strength characteristics, being usable for severe impact applications in the military domain. The research paper presents the results obtained by testing the impact resistance of four HEA samples of different chemical compositions at perforation with 7.62 mm calibre incendiary armour-piercing bullets. The dynamical behaviour was modelled by numerical simulation based on the results of the dynamic tests conducted in the firing range, thus allowing the development of more efficient high entropy alloys, to be used for collective/personal protection.

Minimum entropy density method for the time series analysis

NASA Astrophysics Data System (ADS)

Lee, Jeong Won; Park, Joongwoo Brian; Jo, Hang-Hyun; Yang, Jae-Suk; Moon, Hie-Tae

2009-01-01

The entropy density is an intuitive and powerful concept to study the complicated nonlinear processes derived from physical systems. We develop the minimum entropy density method (MEDM) to detect the structure scale of a given time series, which is defined as the scale in which the uncertainty is minimized, hence the pattern is revealed most. The MEDM is applied to the financial time series of Standard and Poor’s 500 index from February 1983 to April 2006. Then the temporal behavior of structure scale is obtained and analyzed in relation to the information delivery time and efficient market hypothesis.

Force-Time Entropy of Isometric Impulse.

PubMed

Hsieh, Tsung-Yu; Newell, Karl M

2016-01-01

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

Data Decomposition Techniques with Multi-Scale Permutation Entropy Calculations for Bearing Fault Diagnosis

PubMed Central

Yasir, Muhammad Naveed; Koh, Bong-Hwan

2018-01-01

This paper presents the local mean decomposition (LMD) integrated with multi-scale permutation entropy (MPE), also known as LMD-MPE, to investigate the rolling element bearing (REB) fault diagnosis from measured vibration signals. First, the LMD decomposed the vibration data or acceleration measurement into separate product functions that are composed of both amplitude and frequency modulation. MPE then calculated the statistical permutation entropy from the product functions to extract the nonlinear features to assess and classify the condition of the healthy and damaged REB system. The comparative experimental results of the conventional LMD-based multi-scale entropy and MPE were presented to verify the authenticity of the proposed technique. The study found that LMD-MPE’s integrated approach provides reliable, damage-sensitive features when analyzing the bearing condition. The results of REB experimental datasets show that the proposed approach yields more vigorous outcomes than existing methods. PMID:29690526

Entropy production of doubly stochastic quantum channels

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

Müller-Hermes, Alexander, E-mail: muellerh@posteo.net; Department of Mathematical Sciences, University of Copenhagen, 2100 Copenhagen; Stilck França, Daniel, E-mail: dsfranca@mytum.de

2016-02-15

We study the entropy increase of quantum systems evolving under primitive, doubly stochastic Markovian noise and thus converging to the maximally mixed state. This entropy increase can be quantified by a logarithmic-Sobolev constant of the Liouvillian generating the noise. We prove a universal lower bound on this constant that stays invariant under taking tensor-powers. Our methods involve a new comparison method to relate logarithmic-Sobolev constants of different Liouvillians and a technique to compute logarithmic-Sobolev inequalities of Liouvillians with eigenvectors forming a projective representation of a finite abelian group. Our bounds improve upon similar results established before and as an applicationmore » we prove an upper bound on continuous-time quantum capacities. In the last part of this work we study entropy production estimates of discrete-time doubly stochastic quantum channels by extending the framework of discrete-time logarithmic-Sobolev inequalities to the quantum case.« less

Data Decomposition Techniques with Multi-Scale Permutation Entropy Calculations for Bearing Fault Diagnosis.

PubMed

Yasir, Muhammad Naveed; Koh, Bong-Hwan

2018-04-21

This paper presents the local mean decomposition (LMD) integrated with multi-scale permutation entropy (MPE), also known as LMD-MPE, to investigate the rolling element bearing (REB) fault diagnosis from measured vibration signals. First, the LMD decomposed the vibration data or acceleration measurement into separate product functions that are composed of both amplitude and frequency modulation. MPE then calculated the statistical permutation entropy from the product functions to extract the nonlinear features to assess and classify the condition of the healthy and damaged REB system. The comparative experimental results of the conventional LMD-based multi-scale entropy and MPE were presented to verify the authenticity of the proposed technique. The study found that LMD-MPE’s integrated approach provides reliable, damage-sensitive features when analyzing the bearing condition. The results of REB experimental datasets show that the proposed approach yields more vigorous outcomes than existing methods.

Analysis of entropy extraction efficiencies in random number generation systems

NASA Astrophysics Data System (ADS)

Wang, Chao; Wang, Shuang; Chen, Wei; Yin, Zhen-Qiang; Han, Zheng-Fu

2016-05-01

Random numbers (RNs) have applications in many areas: lottery games, gambling, computer simulation, and, most importantly, cryptography [N. Gisin et al., Rev. Mod. Phys. 74 (2002) 145]. In cryptography theory, the theoretical security of the system calls for high quality RNs. Therefore, developing methods for producing unpredictable RNs with adequate speed is an attractive topic. Early on, despite the lack of theoretical support, pseudo RNs generated by algorithmic methods performed well and satisfied reasonable statistical requirements. However, as implemented, those pseudorandom sequences were completely determined by mathematical formulas and initial seeds, which cannot introduce extra entropy or information. In these cases, “random” bits are generated that are not at all random. Physical random number generators (RNGs), which, in contrast to algorithmic methods, are based on unpredictable physical random phenomena, have attracted considerable research interest. However, the way that we extract random bits from those physical entropy sources has a large influence on the efficiency and performance of the system. In this manuscript, we will review and discuss several randomness extraction schemes that are based on radiation or photon arrival times. We analyze the robustness, post-processing requirements and, in particular, the extraction efficiency of those methods to aid in the construction of efficient, compact and robust physical RNG systems.

Entropy-Based Registration of Point Clouds Using Terrestrial Laser Scanning and Smartphone GPS.

PubMed

Chen, Maolin; Wang, Siying; Wang, Mingwei; Wan, Youchuan; He, Peipei

2017-01-20

Automatic registration of terrestrial laser scanning point clouds is a crucial but unresolved topic that is of great interest in many domains. This study combines terrestrial laser scanner with a smartphone for the coarse registration of leveled point clouds with small roll and pitch angles and height differences, which is a novel sensor combination mode for terrestrial laser scanning. The approximate distance between two neighboring scan positions is firstly calculated with smartphone GPS coordinates. Then, 2D distribution entropy is used to measure the distribution coherence between the two scans and search for the optimal initial transformation parameters. To this end, we propose a method called Iterative Minimum Entropy (IME) to correct initial transformation parameters based on two criteria: the difference between the average and minimum entropy and the deviation from the minimum entropy to the expected entropy. Finally, the presented method is evaluated using two data sets that contain tens of millions of points from panoramic and non-panoramic, vegetation-dominated and building-dominated cases and can achieve high accuracy and efficiency.

Achieving the classical Carnot efficiency in a strongly coupled quantum heat engine

NASA Astrophysics Data System (ADS)

Xu, Y. Y.; Chen, B.; Liu, J.

2018-02-01

Generally, the efficiency of a heat engine strongly coupled with a heat bath is less than the classical Carnot efficiency. Through a model-independent method, we show that the classical Carnot efficiency is achieved in a strongly coupled quantum heat engine. First, we present the first law of quantum thermodynamics in strong coupling. Then, we show how to achieve the Carnot cycle and the classical Carnot efficiency at strong coupling. We find that this classical Carnot efficiency stems from the fact that the heat released in a nonequilibrium process is balanced by the absorbed heat. We also analyze the restrictions in the achievement of the Carnot cycle. The first restriction is that there must be two corresponding intervals of the controllable parameter in which the corresponding entropies of the work substance at the hot and cold temperatures are equal, and the second is that the entropy of the initial and final states in a nonequilibrium process must be equal. Through these restrictions, we obtain the positive work conditions, including the usual one in which the hot temperature should be higher than the cold, and a new one in which there must be an entropy interval at the hot temperature overlapping that at the cold. We demonstrate our result through a paradigmatic model—a two-level system in which a work substance strongly interacts with a heat bath. In this model, we find that the efficiency may abruptly decrease to zero due to the first restriction, and that the second restriction results in the control scheme becoming complex.

Achieving the classical Carnot efficiency in a strongly coupled quantum heat engine.

PubMed

Xu, Y Y; Chen, B; Liu, J

2018-02-01

Generally, the efficiency of a heat engine strongly coupled with a heat bath is less than the classical Carnot efficiency. Through a model-independent method, we show that the classical Carnot efficiency is achieved in a strongly coupled quantum heat engine. First, we present the first law of quantum thermodynamics in strong coupling. Then, we show how to achieve the Carnot cycle and the classical Carnot efficiency at strong coupling. We find that this classical Carnot efficiency stems from the fact that the heat released in a nonequilibrium process is balanced by the absorbed heat. We also analyze the restrictions in the achievement of the Carnot cycle. The first restriction is that there must be two corresponding intervals of the controllable parameter in which the corresponding entropies of the work substance at the hot and cold temperatures are equal, and the second is that the entropy of the initial and final states in a nonequilibrium process must be equal. Through these restrictions, we obtain the positive work conditions, including the usual one in which the hot temperature should be higher than the cold, and a new one in which there must be an entropy interval at the hot temperature overlapping that at the cold. We demonstrate our result through a paradigmatic model-a two-level system in which a work substance strongly interacts with a heat bath. In this model, we find that the efficiency may abruptly decrease to zero due to the first restriction, and that the second restriction results in the control scheme becoming complex.

Entropy production due to gravitational-wave viscosity in a Kaluza-Klein inflationary universe

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

Tomita, K.; Ishihara, H.

1985-10-15

The role of viscosity due to the transport of gravitational radiation in a Kaluza-Klein multidimensional universe is considered, and it is shown that vast entropy may be produced by it owing to inflation of the external (ordinary) space and collapse of the internal (compact) space. The inflation and collapse factors necessary for increasing the total entropy by a factor approx.10/sup 88/ are derived.

Efficient Basis Formulation for (1 +1 )-Dimensional SU(2) Lattice Gauge Theory: Spectral Calculations with Matrix Product States

NASA Astrophysics Data System (ADS)

Bañuls, Mari Carmen; Cichy, Krzysztof; Cirac, J. Ignacio; Jansen, Karl; Kühn, Stefan

2017-10-01

We propose an explicit formulation of the physical subspace for a (1 +1 )-dimensional SU(2) lattice gauge theory, where the gauge degrees of freedom are integrated out. Our formulation is completely general, and might be potentially suited for the design of future quantum simulators. Additionally, it allows for addressing the theory numerically with matrix product states. We apply this technique to explore the spectral properties of the model and the effect of truncating the gauge degrees of freedom to a small finite dimension. In particular, we determine the scaling exponents for the vector mass. Furthermore, we also compute the entanglement entropy in the ground state and study its scaling towards the continuum limit.

Irreversibility and entropy production in transport phenomena, IV: Symmetry, integrated intermediate processes and separated variational principles for multi-currents

NASA Astrophysics Data System (ADS)

Suzuki, Masuo

2013-10-01

The mechanism of entropy production in transport phenomena is discussed again by emphasizing the role of symmetry of non-equilibrium states and also by reformulating Einstein’s theory of Brownian motion to derive entropy production from it. This yields conceptual reviews of the previous papers [M. Suzuki, Physica A 390 (2011) 1904; 391 (2012) 1074; 392 (2013) 314]. Separated variational principles of steady states for multi external fields {Xi} and induced currents {Ji} are proposed by extending the principle of minimum integrated entropy production found by the present author for a single external field. The basic strategy of our theory on steady states is to take in all the intermediate processes from the equilibrium state to the final possible steady states in order to study the irreversible physics even in the steady states. As an application of this principle, Gransdorff-Prigogine’s evolution criterion inequality (or stability condition) dXP≡∫dr∑iJidXi≤0 is derived in the stronger form dQi≡∫drJidXi≤0 for individual force Xi and current Ji even in nonlinear responses which depend on all the external forces {Xk} nonlinearly. This is called “separated evolution criterion”. Some explicit demonstrations of the present general theory to simple electric circuits with multi external fields are given in order to clarify the physical essence of our new theory and to realize the condition of its validity concerning the existence of the solutions of the simultaneous equations obtained by the separated variational principles. It is also instructive to compare the two results obtained by the new variational theory and by the old scheme based on the instantaneous entropy production. This seems to be suggestive even to the energy problem in the world.

Rate in template-directed polymer synthesis.

PubMed

Saito, Takuya

2014-06-01

We discuss the temporal efficiency of template-directed polymer synthesis, such as DNA replication and transcription, under a given template string. To weigh the synthesis speed and accuracy on the same scale, we propose a template-directed synthesis (TDS) rate, which contains an expression analogous to that for the Shannon entropy. Increasing the synthesis speed accelerates the TDS rate, but the TDS rate is lowered if the produced sequences are diversified. We apply the TDS rate to some production system models and investigate how the balance between the speed and the accuracy is affected by changes in the system conditions.

Linear and nonlinear thermodynamics of a kinetic heat engine with fast transformations

NASA Astrophysics Data System (ADS)

Cerino, Luca; Puglisi, Andrea; Vulpiani, Angelo

2016-04-01

We investigate a kinetic heat engine model composed of particles enclosed in a box where one side acts as a thermostat and the opposite side is a piston exerting a given pressure. Pressure and temperature are varied in a cyclical protocol of period τ : their relative excursions, δ and ɛ , respectively, constitute the thermodynamic forces dragging the system out of equilibrium. The analysis of the entropy production of the system allows us to define the conjugated fluxes, which are proportional to the extracted work and the consumed heat. In the limit of small δ and ɛ the fluxes are linear in the forces through a τ -dependent Onsager matrix whose off-diagonal elements satisfy a reciprocal relation. The dynamics of the piston can be approximated, through a coarse-graining procedure, by a Klein-Kramers equation which—in the linear regime—yields analytic expressions for the Onsager coefficients and the entropy production. A study of the efficiency at maximum power shows that the Curzon-Ahlborn formula is always an upper limit which is approached at increasing values of the thermodynamic forces, i.e., outside of the linear regime. In all our analysis the adiabatic limit τ →∞ and the the small-force limit δ ,ɛ →0 are not directly related.

Tree tensor network approach to simulating Shor's algorithm

NASA Astrophysics Data System (ADS)

Dumitrescu, Eugene

2017-12-01

Constructively simulating quantum systems furthers our understanding of qualitative and quantitative features which may be analytically intractable. In this paper, we directly simulate and explore the entanglement structure present in the paradigmatic example for exponential quantum speedups: Shor's algorithm. To perform our simulation, we construct a dynamic tree tensor network which manifestly captures two salient circuit features for modular exponentiation. These are the natural two-register bipartition and the invariance of entanglement with respect to permutations of the top-register qubits. Our construction help identify the entanglement entropy properties, which we summarize by a scaling relation. Further, the tree network is efficiently projected onto a matrix product state from which we efficiently execute the quantum Fourier transform. Future simulation of quantum information states with tensor networks exploiting circuit symmetries is discussed.

Thermodynamic balance of photosynthesis and transpiration at increasing CO2 concentrations and rapid light fluctuations.

PubMed

Marín, Dolores; Martín, Mercedes; Serrot, Patricia H; Sabater, Bartolomé

2014-02-01

Experimental and theoretical flux models have been developed to reveal the influence of sun flecks and increasing CO2 concentrations on the energy and entropy balances of the leaf. The rapid and wide range of fluctuations in light intensity under field conditions were simulated in a climatic gas exchange chamber and we determined the energy and entropy balance of the leaf based on radiation and gas exchange measurements. It was estimated that the energy of photosynthetic active radiation (PAR) accounts for half of transpiration, which is the main factor responsible for the exportation of the entropy generated in photosynthesis (Sg) out of the leaf in order to maintain functional the photosynthetic machinery. Although the response of net photosynthetic production to increasing concentrations of CO2 under fluctuating light is similar to that under continuous light, rates of transpiration respond slowly to changes of light intensity and are barely affected by the concentration of CO2 in the range of 260-495 ppm, in which net photosynthesis increases by more than 100%. The analysis of the results confirms that future increases of CO2 will improve the efficiency of the conversion of radiant energy into biomass, but will not reduce the contribution of plant transpiration to the leaf thermal balance. Copyright © 2013 The Authors. Published by Elsevier Ireland Ltd.. All rights reserved.

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.

Local equilibrium and the second law of thermodynamics for irreversible systems with thermodynamic inertia.

PubMed

Glavatskiy, K S

2015-10-28

Validity of local equilibrium has been questioned for non-equilibrium systems which are characterized by delayed response. In particular, for systems with non-zero thermodynamic inertia, the assumption of local equilibrium leads to negative values of the entropy production, which is in contradiction with the second law of thermodynamics. In this paper, we address this question by suggesting a variational formulation of irreversible evolution of a system with non-zero thermodynamic inertia. We introduce the Lagrangian, which depends on the properties of the normal and the so-called "mirror-image" systems. We show that the standard evolution equations, in particular, the Maxwell-Cattaneo-Vernotte equation, can be derived from the variational procedure without going beyond the assumption of local equilibrium. We also argue that the second law of thermodynamics in non-equilibrium should be understood as a consequence of the variational procedure and the property of local equilibrium. For systems with instantaneous response this leads to the standard requirement of the local instantaneous entropy production being always positive. However, if a system is characterized by delayed response, the formulation of the second law of thermodynamics should be altered. In particular, the quantity, which is always positive, is not the instantaneous entropy production, but the entropy production averaged over a proper time interval.

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

PubMed Central

Galinsky, Vitaly L.; Frank, Lawrence R.

2015-01-01

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

Fault Diagnosis for Micro-Gas Turbine Engine Sensors via Wavelet Entropy

PubMed Central

Yu, Bing; Liu, Dongdong; Zhang, Tianhong

2011-01-01

Sensor fault diagnosis is necessary to ensure the normal operation of a gas turbine system. However, the existing methods require too many resources and this need can’t be satisfied in some occasions. Since the sensor readings are directly affected by sensor state, sensor fault diagnosis can be performed by extracting features of the measured signals. This paper proposes a novel fault diagnosis method for sensors based on wavelet entropy. Based on the wavelet theory, wavelet decomposition is utilized to decompose the signal in different scales. Then the instantaneous wavelet energy entropy (IWEE) and instantaneous wavelet singular entropy (IWSE) are defined based on the previous wavelet entropy theory. Subsequently, a fault diagnosis method for gas turbine sensors is proposed based on the results of a numerically simulated example. Then, experiments on this method are carried out on a real micro gas turbine engine. In the experiment, four types of faults with different magnitudes are presented. The experimental results show that the proposed method for sensor fault diagnosis is efficient. PMID:22163734

Fault diagnosis for micro-gas turbine engine sensors via wavelet entropy.

PubMed

Yu, Bing; Liu, Dongdong; Zhang, Tianhong

2011-01-01

Sensor fault diagnosis is necessary to ensure the normal operation of a gas turbine system. However, the existing methods require too many resources and this need can't be satisfied in some occasions. Since the sensor readings are directly affected by sensor state, sensor fault diagnosis can be performed by extracting features of the measured signals. This paper proposes a novel fault diagnosis method for sensors based on wavelet entropy. Based on the wavelet theory, wavelet decomposition is utilized to decompose the signal in different scales. Then the instantaneous wavelet energy entropy (IWEE) and instantaneous wavelet singular entropy (IWSE) are defined based on the previous wavelet entropy theory. Subsequently, a fault diagnosis method for gas turbine sensors is proposed based on the results of a numerically simulated example. Then, experiments on this method are carried out on a real micro gas turbine engine. In the experiment, four types of faults with different magnitudes are presented. The experimental results show that the proposed method for sensor fault diagnosis is efficient.

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.

Ciliates learn to diagnose and correct classical error syndromes in mating strategies

PubMed Central

Clark, Kevin B.

2013-01-01

Preconjugal ciliates learn classical repetition error-correction codes to safeguard mating messages and replies from corruption by “rivals” and local ambient noise. Because individual cells behave as memory channels with Szilárd engine attributes, these coding schemes also might be used to limit, diagnose, and correct mating-signal errors due to noisy intracellular information processing. The present study, therefore, assessed whether heterotrich ciliates effect fault-tolerant signal planning and execution by modifying engine performance, and consequently entropy content of codes, during mock cell–cell communication. Socially meaningful serial vibrations emitted from an ambiguous artificial source initiated ciliate behavioral signaling performances known to advertise mating fitness with varying courtship strategies. Microbes, employing calcium-dependent Hebbian-like decision making, learned to diagnose then correct error syndromes by recursively matching Boltzmann entropies between signal planning and execution stages via “power” or “refrigeration” cycles. All eight serial contraction and reversal strategies incurred errors in entropy magnitude by the execution stage of processing. Absolute errors, however, subtended expected threshold values for single bit-flip errors in three-bit replies, indicating coding schemes protected information content throughout signal production. Ciliate preparedness for vibrations selectively and significantly affected the magnitude and valence of Szilárd engine performance during modal and non-modal strategy corrective cycles. But entropy fidelity for all replies mainly improved across learning trials as refinements in engine efficiency. Fidelity neared maximum levels for only modal signals coded in resilient three-bit repetition error-correction sequences. Together, these findings demonstrate microbes can elevate survival/reproductive success by learning to implement classical fault-tolerant information processing in social contexts. PMID:23966987

Two-phase thermodynamic model for computing entropies of liquids reanalyzed

NASA Astrophysics Data System (ADS)

Sun, Tao; Xian, Jiawei; Zhang, Huai; Zhang, Zhigang; Zhang, Yigang

2017-11-01

The two-phase thermodynamic (2PT) model [S.-T. Lin et al., J. Chem. Phys. 119, 11792-11805 (2003)] provides a promising paradigm to efficiently determine the ionic entropies of liquids from molecular dynamics. In this model, the vibrational density of states (VDoS) of a liquid is decomposed into a diffusive gas-like component and a vibrational solid-like component. By treating the diffusive component as hard sphere (HS) gas and the vibrational component as harmonic oscillators, the ionic entropy of the liquid is determined. Here we examine three issues crucial for practical implementations of the 2PT model: (i) the mismatch between the VDoS of the liquid system and that of the HS gas; (ii) the excess entropy of the HS gas; (iii) the partition of the gas-like and solid-like components. Some of these issues have not been addressed before, yet they profoundly change the entropy predicted from the model. Based on these findings, a revised 2PT formalism is proposed and successfully tested in systems with Lennard-Jones potentials as well as many-atom potentials of liquid metals. Aside from being capable of performing quick entropy estimations for a wide range of systems, the formalism also supports fine-tuning to accurately determine entropies at specific thermal states.

An entropy-based statistic for genomewide association studies.

PubMed

Zhao, Jinying; Boerwinkle, Eric; Xiong, Momiao

2005-07-01

Efficient genotyping methods and the availability of a large collection of single-nucleotide polymorphisms provide valuable tools for genetic studies of human disease. The standard chi2 statistic for case-control studies, which uses a linear function of allele frequencies, has limited power when the number of marker loci is large. We introduce a novel test statistic for genetic association studies that uses Shannon entropy and a nonlinear function of allele frequencies to amplify the differences in allele and haplotype frequencies to maintain statistical power with large numbers of marker loci. We investigate the relationship between the entropy-based test statistic and the standard chi2 statistic and show that, in most cases, the power of the entropy-based statistic is greater than that of the standard chi2 statistic. The distribution of the entropy-based statistic and the type I error rates are validated using simulation studies. Finally, we apply the new entropy-based test statistic to two real data sets, one for the COMT gene and schizophrenia and one for the MMP-2 gene and esophageal carcinoma, to evaluate the performance of the new method for genetic association studies. The results show that the entropy-based statistic obtained smaller P values than did the standard chi2 statistic.

Subband Image Coding with Jointly Optimized Quantizers

NASA Technical Reports Server (NTRS)

Kossentini, Faouzi; Chung, Wilson C.; Smith Mark J. T.

1995-01-01

An iterative design algorithm for the joint design of complexity- and entropy-constrained subband quantizers and associated entropy coders is proposed. Unlike conventional subband design algorithms, the proposed algorithm does not require the use of various bit allocation algorithms. Multistage residual quantizers are employed here because they provide greater control of the complexity-performance tradeoffs, and also because they allow efficient and effective high-order statistical modeling. The resulting subband coder exploits statistical dependencies within subbands, across subbands, and across stages, mainly through complexity-constrained high-order entropy coding. Experimental results demonstrate that the complexity-rate-distortion performance of the new subband coder is exceptional.

Compression embedding

DOEpatents

Sandford, M.T. II; Handel, T.G.; Bradley, J.N.

1998-03-10

A method of embedding auxiliary information into the digital representation of host data created by a lossy compression technique is disclosed. The method applies to data compressed with lossy algorithms based on series expansion, quantization to a finite number of symbols, and entropy coding. Lossy compression methods represent the original data as integer indices having redundancy and uncertainty in value by one unit. Indices which are adjacent in value are manipulated to encode auxiliary data. By a substantially reverse process, the embedded auxiliary data can be retrieved easily by an authorized user. Lossy compression methods use loss-less compressions known also as entropy coding, to reduce to the final size the intermediate representation as indices. The efficiency of the compression entropy coding, known also as entropy coding is increased by manipulating the indices at the intermediate stage in the manner taught by the method. 11 figs.

Compression embedding

DOEpatents

Sandford, II, Maxwell T.; Handel, Theodore G.; Bradley, Jonathan N.

1998-01-01

A method of embedding auxiliary information into the digital representation of host data created by a lossy compression technique. The method applies to data compressed with lossy algorithms based on series expansion, quantization to a finite number of symbols, and entropy coding. Lossy compression methods represent the original data as integer indices having redundancy and uncertainty in value by one unit. Indices which are adjacent in value are manipulated to encode auxiliary data. By a substantially reverse process, the embedded auxiliary data can be retrieved easily by an authorized user. Lossy compression methods use loss-less compressions known also as entropy coding, to reduce to the final size the intermediate representation as indices. The efficiency of the compression entropy coding, known also as entropy coding is increased by manipulating the indices at the intermediate stage in the manner taught by the method.

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.

Stochastic thermodynamics

NASA Astrophysics Data System (ADS)

Eichhorn, Ralf; Aurell, Erik

2014-04-01

'Stochastic thermodynamics as a conceptual framework combines the stochastic energetics approach introduced a decade ago by Sekimoto [1] with the idea that entropy can consistently be assigned to a single fluctuating trajectory [2]'. This quote, taken from Udo Seifert's [3] 2008 review, nicely summarizes the basic ideas behind stochastic thermodynamics: for small systems, driven by external forces and in contact with a heat bath at a well-defined temperature, stochastic energetics [4] defines the exchanged work and heat along a single fluctuating trajectory and connects them to changes in the internal (system) energy by an energy balance analogous to the first law of thermodynamics. Additionally, providing a consistent definition of trajectory-wise entropy production gives rise to second-law-like relations and forms the basis for a 'stochastic thermodynamics' along individual fluctuating trajectories. In order to construct meaningful concepts of work, heat and entropy production for single trajectories, their definitions are based on the stochastic equations of motion modeling the physical system of interest. Because of this, they are valid even for systems that are prevented from equilibrating with the thermal environment by external driving forces (or other sources of non-equilibrium). In that way, the central notions of equilibrium thermodynamics, such as heat, work and entropy, are consistently extended to the non-equilibrium realm. In the (non-equilibrium) ensemble, the trajectory-wise quantities acquire distributions. General statements derived within stochastic thermodynamics typically refer to properties of these distributions, and are valid in the non-equilibrium regime even beyond the linear response. The extension of statistical mechanics and of exact thermodynamic statements to the non-equilibrium realm has been discussed from the early days of statistical mechanics more than 100 years ago. This debate culminated in the development of linear response theory for small deviations from equilibrium, in which a general framework is constructed from the analysis of non-equilibrium states close to equilibrium. In a next step, Prigogine and others developed linear irreversible thermodynamics, which establishes relations between transport coefficients and entropy production on a phenomenological level in terms of thermodynamic forces and fluxes. However, beyond the realm of linear response no general theoretical results were available for quite a long time. This situation has changed drastically over the last 20 years with the development of stochastic thermodynamics, revealing that the range of validity of thermodynamic statements can indeed be extended deep into the non-equilibrium regime. Early developments in that direction trace back to the observations of symmetry relations between the probabilities for entropy production and entropy annihilation in non-equilibrium steady states [5-8] (nowadays categorized in the class of so-called detailed fluctuation theorems), and the derivations of the Bochkov-Kuzovlev [9, 10] and Jarzynski relations [11] (which are now classified as so-called integral fluctuation theorems). Apart from its fundamental theoretical interest, the developments in stochastic thermodynamics have experienced an additional boost from the recent experimental progress in fabricating, manipulating, controlling and observing systems on the micro- and nano-scale. These advances are not only of formidable use for probing and monitoring biological processes on the cellular, sub-cellular and molecular level, but even include the realization of a microscopic thermodynamic heat engine [12] or the experimental verification of Landauer's principle in a colloidal system [13]. The scientific program Stochastic Thermodynamics held between 4 and 15 March 2013, and hosted by The Nordic Institute for Theoretical Physics (Nordita), was attended by more than 50 scientists from the Nordic countries and elsewhere, amongst them many leading experts in the field. During the program, the most recent developments, open questions and new ideas in stochastic thermodynamics were presented and discussed. From the talks and debates, the notion of information in stochastic thermodynamics, the fundamental properties of entropy production (rate) in non-equilibrium, the efficiency of small thermodynamic machines and the characteristics of optimal protocols for the applied (cyclic) forces were crystallizing as main themes. Surprisingly, the long-studied adiabatic piston, its peculiarities and its relation to stochastic thermodynamics were also the subject of intense discussions. The comment on the Nordita program Stochastic Thermodynamics published in this issue of Physica Scripta exploits the Jarzynski relation for determining free energy differences in the adiabatic piston. This scientific program and the contribution presented here were made possible by the financial and administrative support of The Nordic Institute for Theoretical Physics.

Information theory-based decision support system for integrated design of multivariable hydrometric networks

NASA Astrophysics Data System (ADS)

Keum, Jongho; Coulibaly, Paulin

2017-07-01

Adequate and accurate hydrologic information from optimal hydrometric networks is an essential part of effective water resources management. Although the key hydrologic processes in the water cycle are interconnected, hydrometric networks (e.g., streamflow, precipitation, groundwater level) have been routinely designed individually. A decision support framework is proposed for integrated design of multivariable hydrometric networks. The proposed method is applied to design optimal precipitation and streamflow networks simultaneously. The epsilon-dominance hierarchical Bayesian optimization algorithm was combined with Shannon entropy of information theory to design and evaluate hydrometric networks. Specifically, the joint entropy from the combined networks was maximized to provide the most information, and the total correlation was minimized to reduce redundant information. To further optimize the efficiency between the networks, they were designed by maximizing the conditional entropy of the streamflow network given the information of the precipitation network. Compared to the traditional individual variable design approach, the integrated multivariable design method was able to determine more efficient optimal networks by avoiding the redundant stations. Additionally, four quantization cases were compared to evaluate their effects on the entropy calculations and the determination of the optimal networks. The evaluation results indicate that the quantization methods should be selected after careful consideration for each design problem since the station rankings and the optimal networks can change accordingly.

Fluctuation theorem for entropy production during effusion of an ideal gas with momentum transfer.

PubMed

Wood, Kevin; Van den Broeck, C; Kawai, R; Lindenberg, Katja

2007-06-01

We derive an exact expression for entropy production during effusion of an ideal gas driven by momentum transfer in addition to energy and particle flux. Following the treatment in Cleuren [Phys. Rev. E 74, 021117 (2006)], we construct a master equation formulation of the process and explicitly verify the thermodynamic fluctuation theorem, thereby directly exhibiting its extended applicability to particle flows and hence to hydrodynamic systems.

Entropy production rate as a criterion for inconsistency in decision theory

NASA Astrophysics Data System (ADS)

Dixit, Purushottam D.

2018-05-01

Individual and group decisions are complex, often involving choosing an apt alternative from a multitude of options. Evaluating pairwise comparisons breaks down such complex decision problems into tractable ones. Pairwise comparison matrices (PCMs) are regularly used to solve multiple-criteria decision-making problems, for example, using Saaty’s analytic hierarchy process (AHP) framework. However, there are two significant drawbacks of using PCMs. First, humans evaluate PCMs in an inconsistent manner. Second, not all entries of a large PCM can be reliably filled by human decision makers. We address these two issues by first establishing a novel connection between PCMs and time-irreversible Markov processes. Specifically, we show that every PCM induces a family of dissipative maximum path entropy random walks (MERW) over the set of alternatives. We show that only ‘consistent’ PCMs correspond to detailed balanced MERWs. We identify the non-equilibrium entropy production in the induced MERWs as a metric of inconsistency of the underlying PCMs. Notably, the entropy production satisfies all of the recently laid out criteria for reasonable consistency indices. We also propose an approach to use incompletely filled PCMs in AHP. Potential future avenues are discussed as well.

The impact of oceanic heat transport on the atmospheric circulation

NASA Astrophysics Data System (ADS)

Lucarini, Valerio; Lunkeit, Frank

2017-04-01

A general circulation model of intermediate complexity with an idealized Earth-like aquaplanet setup is used to study the impact of changes in the oceanic heat transport on the global atmospheric circulation. Focus is on the atmospheric mean meridional circulation and global thermodynamic properties. The atmosphere counterbalances to a large extent the imposed changes in the oceanic heat transport, but, nonetheless, significant modifications to the atmospheric general circulation are found. Increasing the strength of the oceanic heat transport up to 2.5 PW leads to an increase in the global mean near-surface temperature and to a decrease in its equator-to-pole gradient. For stronger transports, the gradient is reduced further, but the global mean remains approximately constant. This is linked to a cooling and a reversal of the temperature gradient in the tropics. Additionally, a stronger oceanic heat transport leads to a decline in the intensity and a poleward shift of the maxima of both the Hadley and Ferrel cells. Changes in zonal mean diabatic heating and friction impact the properties of the Hadley cell, while the behavior of the Ferrel cell is mostly controlled by friction. The efficiency of the climate machine, the intensity of the Lorenz energy cycle and the material entropy production of the system decline with increased oceanic heat transport. This suggests that the climate system becomes less efficient and turns into a state of reduced entropy production as the enhanced oceanic transport performs a stronger large-scale mixing between geophysical fluids with different temperatures, thus reducing the available energy in the climate system and bringing it closer to a state of thermal equilibrium.

Irreversibility of Asymptotic Entanglement Manipulation Under Quantum Operations Completely Preserving Positivity of Partial Transpose.

PubMed

Wang, Xin; Duan, Runyao

2017-11-03

We demonstrate the irreversibility of asymptotic entanglement manipulation under quantum operations that completely preserve the positivity of partial transpose (PPT), resolving a major open problem in quantum information theory. Our key tool is a new efficiently computable additive lower bound for the asymptotic relative entropy of entanglement with respect to PPT states, which can be used to evaluate the entanglement cost under local operations and classical communication (LOCC). We find that for any rank-two mixed state supporting on the 3⊗3 antisymmetric subspace, the amount of distillable entanglement by PPT operations is strictly smaller than one entanglement bit (ebit) while its entanglement cost under PPT operations is exactly one ebit. As a by-product, we find that for this class of states, both the Rains's bound and its regularization are strictly less than the asymptotic relative entropy of entanglement. So, in general, there is no unique entanglement measure for the manipulation of entanglement by PPT operations. We further show a computable sufficient condition for the irreversibility of entanglement distillation by LOCC (or PPT) operations.

Rényi entropy of the totally asymmetric exclusion process

NASA Astrophysics Data System (ADS)

Wood, Anthony J.; Blythe, Richard A.; Evans, Martin R.

2017-11-01

The Rényi entropy is a generalisation of the Shannon entropy that is sensitive to the fine details of a probability distribution. We present results for the Rényi entropy of the totally asymmetric exclusion process (TASEP). We calculate explicitly an entropy whereby the squares of configuration probabilities are summed, using the matrix product formalism to map the problem to one involving a six direction lattice walk in the upper quarter plane. We derive the generating function across the whole phase diagram, using an obstinate kernel method. This gives the leading behaviour of the Rényi entropy and corrections in all phases of the TASEP. The leading behaviour is given by the result for a Bernoulli measure and we conjecture that this holds for all Rényi entropies. Within the maximal current phase the correction to the leading behaviour is logarithmic in the system size. Finally, we remark upon a special property of equilibrium systems whereby discontinuities in the Rényi entropy arise away from phase transitions, which we refer to as secondary transitions. We find no such secondary transition for this nonequilibrium system, supporting the notion that these are specific to equilibrium cases.

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.

Efficient Ab initio Modeling of Random Multicomponent Alloys

DOE PAGES

Jiang, Chao; Uberuaga, Blas P.

2016-03-08

Here, we present in this Letter a novel small set of ordered structures (SSOS) method that allows extremely efficient ab initio modeling of random multi-component alloys. Using inverse II-III spinel oxides and equiatomic quinary bcc (so-called high entropy) alloys as examples, we also demonstrate that a SSOS can achieve the same accuracy as a large supercell or a well-converged cluster expansion, but with significantly reduced computational cost. In particular, because of this efficiency, a large number of quinary alloy compositions can be quickly screened, leading to the identification of several new possible high entropy alloy chemistries. Furthermore, the SSOS methodmore » developed here can be broadly useful for the rapid computational design of multi-component materials, especially those with a large number of alloying elements, a challenging problem for other approaches.« less

Integrated design of multivariable hydrometric networks using entropy theory with a multiobjective optimization approach

NASA Astrophysics Data System (ADS)

Kim, Y.; Hwang, T.; Vose, J. M.; Martin, K. L.; Band, L. E.

2016-12-01

Obtaining quality hydrologic observations is the first step towards a successful water resources management. While remote sensing techniques have enabled to convert satellite images of the Earth's surface to hydrologic data, the importance of ground-based observations has never been diminished because in-situ data are often highly accurate and can be used to validate remote measurements. The existence of efficient hydrometric networks is becoming more important to obtain as much as information with minimum redundancy. The World Meteorological Organization (WMO) has recommended a guideline for the minimum hydrometric network density based on physiography; however, this guideline is not for the optimum network design but for avoiding serious deficiency from a network. Moreover, all hydrologic variables are interconnected within the hydrologic cycle, while monitoring networks have been designed individually. This study proposes an integrated network design method using entropy theory with a multiobjective optimization approach. In specific, a precipitation and a streamflow networks in a semi-urban watershed in Ontario, Canada were designed simultaneously by maximizing joint entropy, minimizing total correlation, and maximizing conditional entropy of streamflow network given precipitation network. After comparing with the typical individual network designs, the proposed design method would be able to determine more efficient optimal networks by avoiding the redundant stations, in which hydrologic information is transferable. Additionally, four quantization cases were applied in entropy calculations to assess their implications on the station rankings and the optimal networks. The results showed that the selection of quantization method should be considered carefully because the rankings and optimal networks are subject to change accordingly.

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.

Integrated design of multivariable hydrometric networks using entropy theory with a multiobjective optimization approach

NASA Astrophysics Data System (ADS)

Keum, J.; Coulibaly, P. D.

2017-12-01

Obtaining quality hydrologic observations is the first step towards a successful water resources management. While remote sensing techniques have enabled to convert satellite images of the Earth's surface to hydrologic data, the importance of ground-based observations has never been diminished because in-situ data are often highly accurate and can be used to validate remote measurements. The existence of efficient hydrometric networks is becoming more important to obtain as much as information with minimum redundancy. The World Meteorological Organization (WMO) has recommended a guideline for the minimum hydrometric network density based on physiography; however, this guideline is not for the optimum network design but for avoiding serious deficiency from a network. Moreover, all hydrologic variables are interconnected within the hydrologic cycle, while monitoring networks have been designed individually. This study proposes an integrated network design method using entropy theory with a multiobjective optimization approach. In specific, a precipitation and a streamflow networks in a semi-urban watershed in Ontario, Canada were designed simultaneously by maximizing joint entropy, minimizing total correlation, and maximizing conditional entropy of streamflow network given precipitation network. After comparing with the typical individual network designs, the proposed design method would be able to determine more efficient optimal networks by avoiding the redundant stations, in which hydrologic information is transferable. Additionally, four quantization cases were applied in entropy calculations to assess their implications on the station rankings and the optimal networks. The results showed that the selection of quantization method should be considered carefully because the rankings and optimal networks are subject to change accordingly.

Local equilibrium and the second law of thermodynamics for irreversible systems with thermodynamic inertia

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

Glavatskiy, K. S.

Validity of local equilibrium has been questioned for non-equilibrium systems which are characterized by delayed response. In particular, for systems with non-zero thermodynamic inertia, the assumption of local equilibrium leads to negative values of the entropy production, which is in contradiction with the second law of thermodynamics. In this paper, we address this question by suggesting a variational formulation of irreversible evolution of a system with non-zero thermodynamic inertia. We introduce the Lagrangian, which depends on the properties of the normal and the so-called “mirror-image” systems. We show that the standard evolution equations, in particular, the Maxwell-Cattaneo-Vernotte equation, can bemore » derived from the variational procedure without going beyond the assumption of local equilibrium. We also argue that the second law of thermodynamics in non-equilibrium should be understood as a consequence of the variational procedure and the property of local equilibrium. For systems with instantaneous response this leads to the standard requirement of the local instantaneous entropy production being always positive. However, if a system is characterized by delayed response, the formulation of the second law of thermodynamics should be altered. In particular, the quantity, which is always positive, is not the instantaneous entropy production, but the entropy production averaged over a proper time interval.« less

On extremals of the entropy production by ‘Langevin-Kramers’ dynamics

NASA Astrophysics Data System (ADS)

Muratore-Ginanneschi, Paolo

2014-05-01

We refer as ‘Langevin-Kramers’ dynamics to a class of stochastic differential systems exhibiting a degenerate ‘metriplectic’ structure. This means that the drift field can be decomposed into a symplectic and a gradient-like component with respect to a pseudo-metric tensor associated with random fluctuations affecting increments of only a sub-set of the degrees of freedom. Systems in this class are often encountered in applications as elementary models of Hamiltonian dynamics in a heat bath eventually relaxing to a Boltzmann steady state. Entropy production control in Langevin-Kramers models differs from the now well-understood case of Langevin-Smoluchowski dynamics for two reasons. First, the definition of entropy production stemming from fluctuation theorems specifies a cost functional which does not act coercively on all degrees of freedom of control protocols. Second, the presence of a symplectic structure imposes a non-local constraint on the class of admissible controls. Using Pontryagin control theory and restricting the attention to additive noise, we show that smooth protocols attaining extremal values of the entropy production appear generically in continuous parametric families as a consequence of a trade-off between smoothness of the admissible protocols and non-coercivity of the cost functional. Uniqueness is, however, always recovered in the over-damped limit as extremal equations reduce at leading order to the Monge-Ampère-Kantorovich optimal mass-transport equations.

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

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

Rozhdestvensky, Yu V

The possibility is studied for obtaining intense cold atomic beams by using the Renyi entropy to optimise the laser cooling process. It is shown in the case of a Gaussian velocity distribution of atoms, the Renyi entropy coincides with the density of particles in the phase space. The optimisation procedure for cooling atoms by resonance optical radiation is described, which is based on the thermodynamic law of increasing the Renyi entropy in time. Our method is compared with the known methods for increasing the laser cooling efficiency such as the tuning of a laser frequency in time and a changemore » of the atomic transition frequency in an inhomogeneous transverse field of a magnetic solenoid. (laser cooling)« less

Entropy-stable summation-by-parts discretization of the Euler equations on general curved elements

NASA Astrophysics Data System (ADS)

Crean, Jared; Hicken, Jason E.; Del Rey Fernández, David C.; Zingg, David W.; Carpenter, Mark H.

2018-03-01

We present and analyze an entropy-stable semi-discretization of the Euler equations based on high-order summation-by-parts (SBP) operators. In particular, we consider general multidimensional SBP elements, building on and generalizing previous work with tensor-product discretizations. In the absence of dissipation, we prove that the semi-discrete scheme conserves entropy; significantly, this proof of nonlinear L2 stability does not rely on integral exactness. Furthermore, interior penalties can be incorporated into the discretization to ensure that the total (mathematical) entropy decreases monotonically, producing an entropy-stable scheme. SBP discretizations with curved elements remain accurate, conservative, and entropy stable provided the mapping Jacobian satisfies the discrete metric invariants; polynomial mappings at most one degree higher than the SBP operators automatically satisfy the metric invariants in two dimensions. In three-dimensions, we describe an elementwise optimization that leads to suitable Jacobians in the case of polynomial mappings. The properties of the semi-discrete scheme are verified and investigated using numerical experiments.

Design of new face-centered cubic high entropy alloys by thermodynamic calculation

NASA Astrophysics Data System (ADS)

Choi, Won-Mi; Jung, Seungmun; Jo, Yong Hee; Lee, Sunghak; Lee, Byeong-Joo

2017-09-01

A new face-centered cubic (fcc) high entropy alloy system with non-equiatomic compositions has been designed by utilizing a CALculation of PHAse Diagram (CALPHAD) - type thermodynamic calculation technique. The new alloy system is based on the representative fcc high entropy alloy, the Cantor alloy which is an equiatomic Co- Cr-Fe-Mn-Ni five-component alloy, but fully or partly replace the cobalt by vanadium and is of non-equiatomic compositions. Alloy compositions expected to have an fcc single-phase structure between 700 °C and melting temperatures are proposed. All the proposed alloys are experimentally confirmed to have the fcc single-phase during materials processes (> 800 °C), through an X-ray diffraction analysis. It is shown that there are more chances to find fcc single-phase high entropy alloys if paying attention to non-equiatomic composition regions and that the CALPHAD thermodynamic calculation can be an efficient tool for it. An alloy design technique based on thermodynamic calculation is demonstrated and the applicability and limitation of the approach as a design tool for high entropy alloys is discussed.

Mechanisms of cooperation and competition of two-species transport in narrow nanochannels

NASA Astrophysics Data System (ADS)

Bauer, Wolfgang Rudolf

2017-12-01

Flow of particles of two different species through a narrow channel with solely two discrete spatial positions is analyzed with respect to the species' capability to cooperate or compete for transport. The origin of the latter arises from particle-channel and interparticle interactions within the channel, i.e., blocking the position of a particle, and its interaction with its neighbors in the channel. The variety of occupation options within the channel defines the state space. The transition dynamics within is considered as a continuous Markov process, which, in contrast to mean-field approaches, conserves explicitly spatial correlations. A strong repulsive interaction between particles of the same kind and a very attractive empty channel imply a strong entanglement of transport of both species. In the limiting case of perfect coupling, flows in state space are restricted to a cyclic subspace, where they become all equivalent in the steady state. In particular, this implies equal particle flows of the two species. Entanglement of transport implies that the species mutually exert entropic forces on each other. For parallel directed concentration gradients this implies that the species' ability to cooperate increases with the degree of entanglement. Thus, the gradient of one species reciprocally induces a higher flow of the other species when compared to that in its absence. The opposite holds for antiparallel gradients where species mutually hamper their transport. For a sufficient strong coupling, the species under the influence of the stronger concentration gradient drives the other against its gradient, i.e., the positive mixing entropy production of the driving species becomes the motor for the negative mixing entropy production of the driven one. The degree of effectiveness by which negative entropy production emerges at the cost of positive entropy production increases with the coupling strength. This becomes evident from location and connectivity of the sources of entropy production in state space.

Metastable high-entropy dual-phase alloys overcome the strength-ductility trade-off.

PubMed

Li, Zhiming; Pradeep, Konda Gokuldoss; Deng, Yun; Raabe, Dierk; Tasan, Cemal Cem

2016-06-09

Metals have been mankind's most essential materials for thousands of years; however, their use is affected by ecological and economical concerns. Alloys with higher strength and ductility could alleviate some of these concerns by reducing weight and improving energy efficiency. However, most metallurgical mechanisms for increasing strength lead to ductility loss, an effect referred to as the strength-ductility trade-off. Here we present a metastability-engineering strategy in which we design nanostructured, bulk high-entropy alloys with multiple compositionally equivalent high-entropy phases. High-entropy alloys were originally proposed to benefit from phase stabilization through entropy maximization. Yet here, motivated by recent work that relaxes the strict restrictions on high-entropy alloy compositions by demonstrating the weakness of this connection, the concept is overturned. We decrease phase stability to achieve two key benefits: interface hardening due to a dual-phase microstructure (resulting from reduced thermal stability of the high-temperature phase); and transformation-induced hardening (resulting from the reduced mechanical stability of the room-temperature phase). This combines the best of two worlds: extensive hardening due to the decreased phase stability known from advanced steels and massive solid-solution strengthening of high-entropy alloys. In our transformation-induced plasticity-assisted, dual-phase high-entropy alloy (TRIP-DP-HEA), these two contributions lead respectively to enhanced trans-grain and inter-grain slip resistance, and hence, increased strength. Moreover, the increased strain hardening capacity that is enabled by dislocation hardening of the stable phase and transformation-induced hardening of the metastable phase produces increased ductility. This combined increase in strength and ductility distinguishes the TRIP-DP-HEA alloy from other recently developed structural materials. This metastability-engineering strategy should thus usefully guide design in the near-infinite compositional space of high-entropy alloys.

Studying the dynamics of interbeat interval time series of healthy and congestive heart failure subjects using scale based symbolic entropy analysis

PubMed Central

Awan, Imtiaz; Aziz, Wajid; Habib, Nazneen; Alowibdi, Jalal S.; Saeed, Sharjil; Nadeem, Malik Sajjad Ahmed; Shah, Syed Ahsin Ali

2018-01-01

Considerable interest has been devoted for developing a deeper understanding of the dynamics of healthy biological systems and how these dynamics are affected due to aging and disease. Entropy based complexity measures have widely been used for quantifying the dynamics of physical and biological systems. These techniques have provided valuable information leading to a fuller understanding of the dynamics of these systems and underlying stimuli that are responsible for anomalous behavior. The single scale based traditional entropy measures yielded contradictory results about the dynamics of real world time series data of healthy and pathological subjects. Recently the multiscale entropy (MSE) algorithm was introduced for precise description of the complexity of biological signals, which was used in numerous fields since its inception. The original MSE quantified the complexity of coarse-grained time series using sample entropy. The original MSE may be unreliable for short signals because the length of the coarse-grained time series decreases with increasing scaling factor τ, however, MSE works well for long signals. To overcome the drawback of original MSE, various variants of this method have been proposed for evaluating complexity efficiently. In this study, we have proposed multiscale normalized corrected Shannon entropy (MNCSE), in which instead of using sample entropy, symbolic entropy measure NCSE has been used as an entropy estimate. The results of the study are compared with traditional MSE. The effectiveness of the proposed approach is demonstrated using noise signals as well as interbeat interval signals from healthy and pathological subjects. The preliminary results of the study indicate that MNCSE values are more stable and reliable than original MSE values. The results show that MNCSE based features lead to higher classification accuracies in comparison with the MSE based features. PMID:29771977

Analysis of the phase transition in the two-dimensional Ising ferromagnet using a Lempel-Ziv string-parsing scheme and black-box data-compression utilities

NASA Astrophysics Data System (ADS)

Melchert, O.; Hartmann, A. K.

2015-02-01

In this work we consider information-theoretic observables to analyze short symbolic sequences, comprising time series that represent the orientation of a single spin in a two-dimensional (2D) Ising ferromagnet on a square lattice of size L2=1282 for different system temperatures T . The latter were chosen from an interval enclosing the critical point Tc of the model. At small temperatures the sequences are thus very regular; at high temperatures they are maximally random. In the vicinity of the critical point, nontrivial, long-range correlations appear. Here we implement estimators for the entropy rate, excess entropy (i.e., "complexity"), and multi-information. First, we implement a Lempel-Ziv string-parsing scheme, providing seemingly elaborate entropy rate and multi-information estimates and an approximate estimator for the excess entropy. Furthermore, we apply easy-to-use black-box data-compression utilities, providing approximate estimators only. For comparison and to yield results for benchmarking purposes, we implement the information-theoretic observables also based on the well-established M -block Shannon entropy, which is more tedious to apply compared to the first two "algorithmic" entropy estimation procedures. To test how well one can exploit the potential of such data-compression techniques, we aim at detecting the critical point of the 2D Ising ferromagnet. Among the above observables, the multi-information, which is known to exhibit an isolated peak at the critical point, is very easy to replicate by means of both efficient algorithmic entropy estimation procedures. Finally, we assess how good the various algorithmic entropy estimates compare to the more conventional block entropy estimates and illustrate a simple modification that yields enhanced results.

Studying the dynamics of interbeat interval time series of healthy and congestive heart failure subjects using scale based symbolic entropy analysis.

PubMed

Awan, Imtiaz; Aziz, Wajid; Shah, Imran Hussain; Habib, Nazneen; Alowibdi, Jalal S; Saeed, Sharjil; Nadeem, Malik Sajjad Ahmed; Shah, Syed Ahsin Ali

2018-01-01

Considerable interest has been devoted for developing a deeper understanding of the dynamics of healthy biological systems and how these dynamics are affected due to aging and disease. Entropy based complexity measures have widely been used for quantifying the dynamics of physical and biological systems. These techniques have provided valuable information leading to a fuller understanding of the dynamics of these systems and underlying stimuli that are responsible for anomalous behavior. The single scale based traditional entropy measures yielded contradictory results about the dynamics of real world time series data of healthy and pathological subjects. Recently the multiscale entropy (MSE) algorithm was introduced for precise description of the complexity of biological signals, which was used in numerous fields since its inception. The original MSE quantified the complexity of coarse-grained time series using sample entropy. The original MSE may be unreliable for short signals because the length of the coarse-grained time series decreases with increasing scaling factor τ, however, MSE works well for long signals. To overcome the drawback of original MSE, various variants of this method have been proposed for evaluating complexity efficiently. In this study, we have proposed multiscale normalized corrected Shannon entropy (MNCSE), in which instead of using sample entropy, symbolic entropy measure NCSE has been used as an entropy estimate. The results of the study are compared with traditional MSE. The effectiveness of the proposed approach is demonstrated using noise signals as well as interbeat interval signals from healthy and pathological subjects. The preliminary results of the study indicate that MNCSE values are more stable and reliable than original MSE values. The results show that MNCSE based features lead to higher classification accuracies in comparison with the MSE based features.

Metastable high-entropy dual-phase alloys overcome the strength-ductility trade-off

NASA Astrophysics Data System (ADS)

Li, Zhiming; Pradeep, Konda Gokuldoss; Deng, Yun; Raabe, Dierk; Tasan, Cemal Cem

2016-06-01

Metals have been mankind’s most essential materials for thousands of years; however, their use is affected by ecological and economical concerns. Alloys with higher strength and ductility could alleviate some of these concerns by reducing weight and improving energy efficiency. However, most metallurgical mechanisms for increasing strength lead to ductility loss, an effect referred to as the strength-ductility trade-off. Here we present a metastability-engineering strategy in which we design nanostructured, bulk high-entropy alloys with multiple compositionally equivalent high-entropy phases. High-entropy alloys were originally proposed to benefit from phase stabilization through entropy maximization. Yet here, motivated by recent work that relaxes the strict restrictions on high-entropy alloy compositions by demonstrating the weakness of this connection, the concept is overturned. We decrease phase stability to achieve two key benefits: interface hardening due to a dual-phase microstructure (resulting from reduced thermal stability of the high-temperature phase); and transformation-induced hardening (resulting from the reduced mechanical stability of the room-temperature phase). This combines the best of two worlds: extensive hardening due to the decreased phase stability known from advanced steels and massive solid-solution strengthening of high-entropy alloys. In our transformation-induced plasticity-assisted, dual-phase high-entropy alloy (TRIP-DP-HEA), these two contributions lead respectively to enhanced trans-grain and inter-grain slip resistance, and hence, increased strength. Moreover, the increased strain hardening capacity that is enabled by dislocation hardening of the stable phase and transformation-induced hardening of the metastable phase produces increased ductility. This combined increase in strength and ductility distinguishes the TRIP-DP-HEA alloy from other recently developed structural materials. This metastability-engineering strategy should thus usefully guide design in the near-infinite compositional space of high-entropy alloys.

Utilization of acetone-butanol-ethanol-water mixture obtained from biomass fermentation as renewable feedstock for hydrogen production via steam reforming: Thermodynamic and energy analyses.

PubMed

Kumar, Brajesh; Kumar, Shashi; Sinha, Shishir; Kumar, Surendra

2018-08-01

A thermodynamic equilibrium analysis on steam reforming process to utilize acetone-butanol-ethanol-water mixture obtained from biomass fermentation as biorenewable fuel has been performed to produce clean energy carrier H 2 via non-stoichiometric approach namely Gibbs free energy minimization method. The effect of process variables such as temperature (573-1473 K), pressure (1-10 atm), and steam/fuel molar feed ratio (F ABE  = 5.5-12) have been investigated on equilibrium compositions of products, H 2 , CO, CO 2 , CH 4 and solid carbon. The best suitable conditions for maximization of desired product H 2 , suppression of CH 4 , and inhibition of solid carbon are 973 K, 1 atm, steam/fuel molar feed ratio = 12. Under these conditions, the maximum molar production of hydrogen is 8.35 with negligible formation of carbon and methane. Furthermore, the energy requirement per mol of H 2 (48.96 kJ), thermal efficiency (69.13%), exergy efficiency (55.09%), exergy destruction (85.36 kJ/mol), and generated entropy (0.29 kJ/mol.K) have been achieved at same operating conditions. Copyright © 2018 Elsevier Ltd. All rights reserved.

Relations between work and entropy production for general information-driven, finite-state engines

NASA Astrophysics Data System (ADS)

Merhav, Neri

2017-02-01

We consider a system model of a general finite-state machine (ratchet) that simultaneously interacts with three kinds of reservoirs: a heat reservoir, a work reservoir, and an information reservoir, the latter being taken to be a running digital tape whose symbols interact sequentially with the machine. As has been shown in earlier work, this finite-state machine can act as a demon (with memory), which creates a net flow of energy from the heat reservoir into the work reservoir (thus extracting useful work) at the price of increasing the entropy of the information reservoir. Under very few assumptions, we propose a simple derivation of a family of inequalities that relate the work extraction with the entropy production. These inequalities can be seen as either upper bounds on the extractable work or as lower bounds on the entropy production, depending on the point of view. Many of these bounds are relatively easy to calculate and they are tight in the sense that equality can be approached arbitrarily closely. In their basic forms, these inequalities are applicable to any finite number of cycles (and not only asymptotically), and for a general input information sequence (possibly correlated), which is not necessarily assumed even stationary. Several known results are obtained as special cases.

Exergy Based Analysis for the Environmental Control and Life Support Systems of the International Space Station

NASA Technical Reports Server (NTRS)

Clem, Kirk A.; Nelson, George J.; Mesmer, Bryan L.; Watson, Michael D.; Perry, Jay L.

2016-01-01

When optimizing the performance of complex systems, a logical area for concern is improving the efficiency of useful energy. The energy available for a system to perform work is defined as a system's energy content. Interactions between a system's subsystems and the surrounding environment can be accounted for by understanding various subsystem energy efficiencies. Energy balance of reactants and products, and enthalpies and entropies, can be used to represent a chemical process. Heat transfer energy represents heat loads, and flow energy represents system flows and filters. These elements allow for a system level energy balance. The energy balance equations are developed for the subsystems of the Environmental Control and Life Support (ECLS) system aboard the International Space Station (ISS). The use of these equations with system information would allow for the calculation of the energy efficiency of the system, enabling comparisons of the ISS ECLS system to other systems as well as allows for an integrated systems analysis for system optimization.

Exergy and the economic process

NASA Astrophysics Data System (ADS)

Karakatsanis, Georgios

2016-04-01

The Second Law of Thermodynamics (2nd Law) dictates that the introduction of physical work in a system requires the existence of a heat gradient, according to the universal notion of Carnot Heat Engine. This is the corner stone for the notion of exergy as well, as exergy is actually the potential of physical work generation across the process of equilibration of a number of unified systems with different thermodynamic states. However, although energy concerns the abstract ability of work generation, exergy concerns the specific ability of work generation, due to the requirement for specifying an environment of reference, in relation to which the thermodynamic equilibration takes place; also determining heat engine efficiencies. Consequently, while energy is always conserved, exergy -deriving from heat gradient equilibration- is always consumed. According to this perspective, the availability of heat gradients is what fundamentally drives the evolution of econosystems, via enhancing -or even substituting- human labor (Boulding 1978; Chen 2005; Ayres and Warr 2009). In addition, exergy consumption is irreversible, via the gradual transformation of useful physical work to entropy; hence reducing its future economic availability. By extending Roegen's relative approach (1971), it could be postulated that this irreversible exhaustion of exergy comprises the fundamental cause of economic scarcity, which is the corner stone for the development of economic science. Conclusively, scarcity consists in: (a) the difficulty of allocating -in the Earth System- very high heat gradients that would make humanity's heat engines very efficient and (b) the irreversible depletion of existent heat gradients due to entropy production. In addition, the concept of exergy could be used to study natural resource degradation and pollution at the biogeochemical level and understand why heat gradient scarcity in the Earth System was eventually inevitable. All of these issues are analyzed both theoretically and quantitatively. Keywords: 2nd Law, physical work, heat gradient, Carnot Heat Engine, exergy, energy, reference environment, econosystems, irreversibility, entropy, scarcity, resource degradation, pollution References 1. Ayres, Robert U. and Benjamin Warr (2009), The Economic Growth Engine: How Energy and Work Drive Material Prosperity, Edward Elgar and IIASA 2. Boulding, Kenneth E. (1978), Ecodynamics: A New Theory of Societal Evolution, Sage Publication 3. Chen, Jing (2005), The Physical Foundations of Economics: An Analytic Thermodynamic Theory, World Scientific 4. Roegen, Nicolas Georgescu (1971), The Entropy Law and the Economic Process, Harvard University Press

Multi-Scale Low-Entropy Method for Optimizing the Processing Parameters during Automated Fiber Placement.

PubMed

Han, Zhenyu; Sun, Shouzheng; Fu, Hongya; Fu, Yunzhong

2017-09-03

Automated fiber placement (AFP) process includes a variety of energy forms and multi-scale effects. This contribution proposes a novel multi-scale low-entropy method aiming at optimizing processing parameters in an AFP process, where multi-scale effect, energy consumption, energy utilization efficiency and mechanical properties of micro-system could be taken into account synthetically. Taking a carbon fiber/epoxy prepreg as an example, mechanical properties of macro-meso-scale are obtained by Finite Element Method (FEM). A multi-scale energy transfer model is then established to input the macroscopic results into the microscopic system as its boundary condition, which can communicate with different scales. Furthermore, microscopic characteristics, mainly micro-scale adsorption energy, diffusion coefficient entropy-enthalpy values, are calculated under different processing parameters based on molecular dynamics method. Low-entropy region is then obtained in terms of the interrelation among entropy-enthalpy values, microscopic mechanical properties (interface adsorbability and matrix fluidity) and processing parameters to guarantee better fluidity, stronger adsorption, lower energy consumption and higher energy quality collaboratively. Finally, nine groups of experiments are carried out to verify the validity of the simulation results. The results show that the low-entropy optimization method can reduce void content effectively, and further improve the mechanical properties of laminates.

Use of Dimples to Suppress Boundary Layer Separation on a Low Pressure Turbine Blade

DTIC Science & Technology

2002-12-01

Brayton cycle for an ideal gas turbine engine.............................................. 11 Figure 5. T-S diagram for a non-ideal turbine stage...engine efficiency is well illustrated with a T-S diagram, where T is temperature and S is entropy. The ideal jet engine is represented with the Brayton ...the Brayton cycle represents an ideal engine, no losses are present, and entropy is not produced. Between station 3 and 4, fuel (energy) is added

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

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

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

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

Influence of measurement error on Maxwell's demon

NASA Astrophysics Data System (ADS)

Sørdal, Vegard; Bergli, Joakim; Galperin, Y. M.

2017-06-01

In any general cycle of measurement, feedback, and erasure, the measurement will reduce the entropy of the system when information about the state is obtained, while erasure, according to Landauer's principle, is accompanied by a corresponding increase in entropy due to the compression of logical and physical phase space. The total process can in principle be fully reversible. A measurement error reduces the information obtained and the entropy decrease in the system. The erasure still gives the same increase in entropy, and the total process is irreversible. Another consequence of measurement error is that a bad feedback is applied, which further increases the entropy production if the proper protocol adapted to the expected error rate is not applied. We consider the effect of measurement error on a realistic single-electron box Szilard engine, and we find the optimal protocol for the cycle as a function of the desired power P and error ɛ .

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

Dehesa, J.S.; Martinez-Finkelshtein, A.; Sorokin, V.N.

The asymptotics of the Boltzmann-Shannon information entropy as well as the Renyi entropy for the quantum probability density of a single-particle system with a confining (i.e., bounded below) power-type potential V(x)=x{sup 2k} with k is a member of N and x is a member of R, is investigated in the position and momentum spaces within the semiclassical (WKB) approximation. It is found that for highly excited states both physical entropies, as well as their sum, have a logarithmic dependence on its quantum number not only when k=1 (harmonic oscillator), but also for any fixed k. As a by-product, the extremalmore » case k{yields}{infinity} (the infinite well potential) is also rigorously analyzed. It is shown that not only the position-space entropy has the same constant value for all quantum states, which is a known result, but also that the momentum-space entropy is constant for highly excited states.« less

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

NASA Astrophysics Data System (ADS)

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

2016-02-01

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

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

NASA Astrophysics Data System (ADS)

Militello, Benedetto

2018-05-01

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

Generalized entropy production fluctuation theorems for quantum systems

NASA Astrophysics Data System (ADS)

Rana, Shubhashis; Lahiri, Sourabh; Jayannavar, A. M.

2013-02-01

Based on trajectory dependent path probability formalism in state space, we derive generalized entropy production fluctuation relations for a quantum system in the presence of measurement and feedback. We have obtained these results for three different cases: (i) the system is evolving in isolation from its surroundings; (ii) the system being weakly coupled to a heat bath; and (iii) system in contact with reservoir using quantum Crooks fluctuation theorem. In case (iii), we build on the treatment carried out in [H. T. Quan and H. Dong, arxiv/cond-mat: 0812.4955], where a quantum trajectory has been defined as a sequence of alternating work and heat steps. The obtained entropy production fluctuation theorems retain the same form as in the classical case. The inequality of second law of thermodynamics gets modified in the presence of information. These fluctuation theorems are robust against intermediate measurements of any observable performed with respect to von Neumann projective measurements as well as weak or positive operator valued measurements.

Thermodynamics of Terrestrial Evolution

PubMed Central

Kirkaldy, J. S.

1965-01-01

The causal element of biological evolution and development can be understood in terms of a potential function which is generalized from the variational principles of irreversible thermodynamics. This potential function is approximated by the rate of entropy production in a configuration space which admits of macroscopic excursions by fluctuation and regression as well as microscopic ones. Analogously to Onsager's dissipation function, the potential takes the form of a saddle surface in this configuration space. The path of evolution following from an initial high dissipation state within the fixed constraint provided by the invariant energy flux from the sun tends toward the stable saddle point by a series of spontaneous regressions which lower the entropy production rate and by an alternating series of spontaneous fluctuations which introduce new internal constraints and lead to a higher entropy production rate. The potential thus rationalizes the system's observed tendency toward “chemical imperialism” (high dissipation) while simultaneously accommodating the development of “dynamic efficiency” and complication (low dissipation). PMID:5884019

Memory behaviors of entropy production rates in heat conduction

NASA Astrophysics Data System (ADS)

Li, Shu-Nan; Cao, Bing-Yang

2018-02-01

Based on the relaxation time approximation and first-order expansion, memory behaviors in heat conduction are found between the macroscopic and Boltzmann-Gibbs-Shannon (BGS) entropy production rates with exponentially decaying memory kernels. In the frameworks of classical irreversible thermodynamics (CIT) and BGS statistical mechanics, the memory dependency on the integrated history is unidirectional, while for the extended irreversible thermodynamics (EIT) and BGS entropy production rates, the memory dependences are bidirectional and coexist with the linear terms. When macroscopic and microscopic relaxation times satisfy a specific relationship, the entropic memory dependences will be eliminated. There also exist initial effects in entropic memory behaviors, which decay exponentially. The second-order term are also discussed, which can be understood as the global non-equilibrium degree. The effects of the second-order term are consisted of three parts: memory dependency, initial value and linear term. The corresponding memory kernels are still exponential and the initial effects of the global non-equilibrium degree also decay exponentially.

Anomalous thermodynamics at the microscale.

PubMed

Celani, Antonio; Bo, Stefano; Eichhorn, Ralf; Aurell, Erik

2012-12-28

Particle motion at the microscale is an incessant tug-of-war between thermal fluctuations and applied forces on one side and the strong resistance exerted by fluid viscosity on the other. Friction is so strong that completely neglecting inertia--the overdamped approximation--gives an excellent effective description of the actual particle mechanics. In sharp contrast to this result, here we show that the overdamped approximation dramatically fails when thermodynamic quantities such as the entropy production in the environment are considered, in the presence of temperature gradients. In the limit of vanishingly small, yet finite, inertia, we find that the entropy production is dominated by a contribution that is anomalous, i.e., has no counterpart in the overdamped approximation. This phenomenon, which we call an entropic anomaly, is due to a symmetry breaking that occurs when moving to the small, finite inertia limit. Anomalous entropy production is traced back to futile phase-space cyclic trajectories displaying a fast downgradient sweep followed by a slow upgradient return to the original position.

Anomalous Thermodynamics at the Microscale

NASA Astrophysics Data System (ADS)

Celani, Antonio; Bo, Stefano; Eichhorn, Ralf; Aurell, Erik

2012-12-01

Particle motion at the microscale is an incessant tug-of-war between thermal fluctuations and applied forces on one side and the strong resistance exerted by fluid viscosity on the other. Friction is so strong that completely neglecting inertia—the overdamped approximation—gives an excellent effective description of the actual particle mechanics. In sharp contrast to this result, here we show that the overdamped approximation dramatically fails when thermodynamic quantities such as the entropy production in the environment are considered, in the presence of temperature gradients. In the limit of vanishingly small, yet finite, inertia, we find that the entropy production is dominated by a contribution that is anomalous, i.e., has no counterpart in the overdamped approximation. This phenomenon, which we call an entropic anomaly, is due to a symmetry breaking that occurs when moving to the small, finite inertia limit. Anomalous entropy production is traced back to futile phase-space cyclic trajectories displaying a fast downgradient sweep followed by a slow upgradient return to the original position.

Bacterial protease uses distinct thermodynamic signatures for substrate recognition.

PubMed

Bezerra, Gustavo Arruda; Ohara-Nemoto, Yuko; Cornaciu, Irina; Fedosyuk, Sofiya; Hoffmann, Guillaume; Round, Adam; Márquez, José A; Nemoto, Takayuki K; Djinović-Carugo, Kristina

2017-06-06

Porphyromonas gingivalis and Porphyromonas endodontalis are important bacteria related to periodontitis, the most common chronic inflammatory disease in humans worldwide. Its comorbidity with systemic diseases, such as type 2 diabetes, oral cancers and cardiovascular diseases, continues to generate considerable interest. Surprisingly, these two microorganisms do not ferment carbohydrates; rather they use proteinaceous substrates as carbon and energy sources. However, the underlying biochemical mechanisms of their energy metabolism remain unknown. Here, we show that dipeptidyl peptidase 11 (DPP11), a central metabolic enzyme in these bacteria, undergoes a conformational change upon peptide binding to distinguish substrates from end products. It binds substrates through an entropy-driven process and end products in an enthalpy-driven fashion. We show that increase in protein conformational entropy is the main-driving force for substrate binding via the unfolding of specific regions of the enzyme ("entropy reservoirs"). The relationship between our structural and thermodynamics data yields a distinct model for protein-protein interactions where protein conformational entropy modulates the binding free-energy. Further, our findings provide a framework for the structure-based design of specific DPP11 inhibitors.

Maximum entropy production in environmental and ecological systems.

PubMed

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

2010-05-12

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

Entropy Stable Staggered Grid Spectral Collocation for the Burgers' and Compressible Navier-Stokes Equations

NASA Technical Reports Server (NTRS)

Carpenter, Mark H.; Parsani, Matteo; Fisher, Travis C.; Nielsen, Eric J.

2015-01-01

Staggered grid, entropy stable discontinuous spectral collocation operators of any order are developed for Burgers' and the compressible Navier-Stokes equations on unstructured hexahedral elements. This generalization of previous entropy stable spectral collocation work [1, 2], extends the applicable set of points from tensor product, Legendre-Gauss-Lobatto (LGL) to a combination of tensor product Legendre-Gauss (LG) and LGL points. The new semi-discrete operators discretely conserve mass, momentum, energy and satisfy a mathematical entropy inequality for both Burgers' and the compressible Navier-Stokes equations in three spatial dimensions. They are valid for smooth as well as discontinuous flows. The staggered LG and conventional LGL point formulations are compared on several challenging test problems. The staggered LG operators are significantly more accurate, although more costly to implement. The LG and LGL operators exhibit similar robustness, as is demonstrated using test problems known to be problematic for operators that lack a nonlinearly stability proof for the compressible Navier-Stokes equations (e.g., discontinuous Galerkin, spectral difference, or flux reconstruction operators).

Linear growth of the entanglement entropy and the Kolmogorov-Sinai rate

NASA Astrophysics Data System (ADS)

Bianchi, Eugenio; Hackl, Lucas; Yokomizo, Nelson

2018-03-01

The rate of entropy production in a classical dynamical system is characterized by the Kolmogorov-Sinai entropy rate h KS given by the sum of all positive Lyapunov exponents of the system. We prove a quantum version of this result valid for bosonic systems with unstable quadratic Hamiltonian. The derivation takes into account the case of time-dependent Hamiltonians with Floquet instabilities. We show that the entanglement entropy S A of a Gaussian state grows linearly for large times in unstable systems, with a rate Λ A ≤ h KS determined by the Lyapunov exponents and the choice of the subsystem A. We apply our results to the analysis of entanglement production in unstable quadratic potentials and due to periodic quantum quenches in many-body quantum systems. Our results are relevant for quantum field theory, for which we present three applications: a scalar field in a symmetry-breaking potential, parametric resonance during post-inflationary reheating and cosmological perturbations during inflation. Finally, we conjecture that the same rate Λ A appears in the entanglement growth of chaotic quantum systems prepared in a semiclassical state.

Local entanglement entropy of fermions as a marker of quantum phase transition in the one-dimensional Hubbard model

NASA Astrophysics Data System (ADS)

Cha, Min-Chul; Chung, Myung-Hoon

2018-05-01

We study quantum phase transition of interacting fermions by measuring the local entanglement entropy in the one-dimensional Hubbard model. The reduced density matrices for blocks of a few sites are constructed from the ground state wave function in infinite systems by adopting the matrix product state representation where time-evolving block decimations are performed to obtain the lowest energy states. The local entanglement entropy, constructed from the reduced density matrices, as a function of the chemical potential shows clear signatures of the Mott transition. The value of the central charge, numerically determined from the universal properties of the local entanglement entropy, confirms that the transition is caused by the suppression of the charge degrees of freedom.

Video and accelerometer-based motion analysis for automated surgical skills assessment.

PubMed

Zia, Aneeq; Sharma, Yachna; Bettadapura, Vinay; Sarin, Eric L; Essa, Irfan

2018-03-01

Basic surgical skills of suturing and knot tying are an essential part of medical training. Having an automated system for surgical skills assessment could help save experts time and improve training efficiency. There have been some recent attempts at automated surgical skills assessment using either video analysis or acceleration data. In this paper, we present a novel approach for automated assessment of OSATS-like surgical skills and provide an analysis of different features on multi-modal data (video and accelerometer data). We conduct a large study for basic surgical skill assessment on a dataset that contained video and accelerometer data for suturing and knot-tying tasks. We introduce "entropy-based" features-approximate entropy and cross-approximate entropy, which quantify the amount of predictability and regularity of fluctuations in time series data. The proposed features are compared to existing methods of Sequential Motion Texture, Discrete Cosine Transform and Discrete Fourier Transform, for surgical skills assessment. We report average performance of different features across all applicable OSATS-like criteria for suturing and knot-tying tasks. Our analysis shows that the proposed entropy-based features outperform previous state-of-the-art methods using video data, achieving average classification accuracies of 95.1 and 92.2% for suturing and knot tying, respectively. For accelerometer data, our method performs better for suturing achieving 86.8% average accuracy. We also show that fusion of video and acceleration features can improve overall performance for skill assessment. Automated surgical skills assessment can be achieved with high accuracy using the proposed entropy features. Such a system can significantly improve the efficiency of surgical training in medical schools and teaching hospitals.

Chaotic characteristics enhanced by impeller of perturbed six-bent-bladed turbine in stirred tank

NASA Astrophysics Data System (ADS)

Luan, Deyu; Zhang, Shengfeng; Lu, Jianping; Zhang, Xiaoguang

The fundamental way of improving the mixing efficiency is to induce the chaotic flow in a stirred vessel. The impeller form plays an important role for changing the structure of flow field and realizing chaotic mixing. Based on the velocity time series acquired by the experiment of particle image velocimetry (PIV), with the software Matlab, the macro-instability (MI), largest Lyapunov exponent (LLE), and Kolmogorov entropy in the water stirred tank is investigated respectively with the impeller of perturbed six-bent-bladed turbine (6PBT). The results show that the MI characteristics are obvious and two peak values of MI frequency are observed at the speed N = 60 rpm. With the increasing speed (more than 100 rpm), the peak characteristics of MI frequency disappear and a multi-scale wavelet structure of characterizing the chaotic flow field appears. Moreover, under the speed N = 60 rpm, the LLE is less than 0 and Kolmogorov entropy is 0, which means that the flow field is in the periodic moving state. As the speed is increased to more than 100 rpm, the LLE and Kolmogorov entropy are all more than 0, which indicates that the flow field goes into the chaotic mixing. When the speed reaches up to about 210 rpm, both of the LLE and Kolmogorov entropy achieve the optimum values, which will result in an excellent chaos with the highest mixing efficient. So it is feasible that the MI frequency, the LLE and the Kolmogorov entropy can be used to analyze the flow field characteristics in a stirred tank. The research results promote the understanding of the chaotic mixing mechanism and provide a theoretical reference for the development of new type impeller.

Calculation of the Intensity of Physical Time Fluctuations Using the Standard Solar Model and its Comparison with the Results of Experimental Measurements

NASA Astrophysics Data System (ADS)

Morozov, A. N.

2017-11-01

The article reviews the possibility of describing physical time as a random Poisson process. An equation allowing the intensity of physical time fluctuations to be calculated depending on the entropy production density within irreversible natural processes has been proposed. Based on the standard solar model the work calculates the entropy production density inside the Sun and the dependence of the intensity of physical time fluctuations on the distance to the centre of the Sun. A free model parameter has been established, and the method of its evaluation has been suggested. The calculations of the entropy production density inside the Sun showed that it differs by 2-3 orders of magnitude in different parts of the Sun. The intensity of physical time fluctuations on the Earth's surface depending on the entropy production density during the sunlight-to-Earth's thermal radiation conversion has been theoretically predicted. A method of evaluation of the Kullback's measure of voltage fluctuations in small amounts of electrolyte has been proposed. Using a simple model of the Earth's surface heat transfer to the upper atmosphere, the effective Earth's thermal radiation temperature has been determined. A comparison between the theoretical values of the Kullback's measure derived from the fluctuating physical time model and the experimentally measured values of this measure for two independent electrolytic cells showed a good qualitative and quantitative concurrence of predictions of both theoretical model and experimental data.

Energy consumption and entropy production in a stochastic formulation of BCM learning

NASA Astrophysics Data System (ADS)

de Oliveira, L. R.; Castellani, G.; Turchetti, G.

2013-12-01

Biochemical processes in living cells are open systems, therefore they exchange materials with their environment and they consume chemical energy. These processes are molecular-based and for that reason the role of fluctuations can not be ignored and the stochastic description is the most appropriate one. The chemical master equation describes in exact way the probabilistic dynamics of a given discrete set of states and helps us to understand and clarify the differences between closed and open systems. A closed system is related to a condition of detailed balance (DB), i.e. an equilibrium state. After a sufficiently long period, an open system will reach a non-equilibrium steady state (NESS) that is sustained by a flux of external energy. We demonstrate that two implementations of the BCM learning rule (BCM82) and (BCM92) are, respectively, always in DB, and never in DB. We define a one parameter parametrization of the BCM learning rule that interpolates between these two extremes. We compute thermodynamical quantities such as internal energy, free energy (both Helmholtz and Gibbs) and entropy. The entropy variation in the case of open systems (i.e. when DB does not hold) can be divided into internal entropy production and entropy exchanged with surroundings. We show how the entropy variation can be used to find the optimal value (corresponding to increased robustness and stability) for the parameter used in the BCM parametrization. Finally, we use the calculation of the work to drive the system from an initial state to the steady state as the parameter of the plasticity of the system.

Application of an enthalpy balance model of the relation between growth and respiration to temperature acclimation of Eucalyptus globulus seedlings.

PubMed Central

Macfarlane, Craig; Adams, Mark A; Hansen, Lee D

2002-01-01

The enthalpy balance model of growth uses measurements of the rates of heat and CO(2) production to quantify rates of decarboxylation, oxidative phosphorylation and net anabolism. Enthalpy conversion efficiency (eta(H)) and the net rate of conservation of enthalpy in reduced biosynthetic products (R(SG)DeltaH(B)) can be calculated from metabolic heat rate (q) and CO(2) rate (R(CO2)). eta(H) is closely related to carbon conversion efficiency and the efficiency of conservation of available electrons in biosynthetic products. R(SG)DeltaH(B) and eta(H) can be used, together with biomass composition, to describe the rate and efficiency of growth of plant tissues. q is directly related to the rate of O(2) consumption and the ratio q:R(CO2) is inversely related to the respiratory quotient. We grew seedlings of Eucalyptus globulus at 16 and 28 degrees C for four to six weeks, then measured q and R(CO2) using isothermal calorimetry. Respiratory rate at a given temperature was increased by a lower growth temperature but eta(H) was unaffected. Enthalpy conversion efficiency - and, therefore, carbon conversion efficiency - decreased with increasing temperature from 15 to 35 degrees C. The ratio of oxidative phosphorylation to oxygen consumption (P/O ratio) was inferred in vivo from eta(H) and by assuming a constant ratio of growth to maintenance respiration with changing temperature. The P/O ratio decreased from 2.1 at 10-15 degrees C to less than 0.3 at 35 degrees C, suggesting that decreased efficiency was not only due to activity of the alternative oxidase pathway. In agreement with predictions from non-equilibrium thermodynamics, growth rate was maximal near 25 degrees C, where the calculated P/O ratio was about half maximum. We propose that less efficient pathways, such as the alternative oxidase pathway, are necessary to satisfy the condition of conductance matching whilst maintaining a near constant phosphorylation potential. These conditions minimize entropy production and maximize the efficiency of mitochondrial energy conversions as growing conditions change, while maintaining adequate finite rates of energy processing. PMID:12137581

Discovering the Thermodynamics of Simultaneous Equilibria: An Entropy Analysis Activity Involving Consecutive Equilibria

ERIC Educational Resources Information Center

Bindel, Thomas H.

2007-01-01

An activity is presented in which the thermodynamics of simultaneous, consecutive equilibria are explored. The activity is appropriate for second-year high school or AP chemistry. Students discover that a reactant-favored (entropy-diminishing or endergonic) reaction can be caused to happen if it is coupled with a product-favored reaction of…

Adjusting protein graphs based on graph entropy.

PubMed

Peng, Sheng-Lung; Tsay, Yu-Wei

2014-01-01

Measuring protein structural similarity attempts to establish a relationship of equivalence between polymer structures based on their conformations. In several recent studies, researchers have explored protein-graph remodeling, instead of looking a minimum superimposition for pairwise proteins. When graphs are used to represent structured objects, the problem of measuring object similarity become one of computing the similarity between graphs. Graph theory provides an alternative perspective as well as efficiency. Once a protein graph has been created, its structural stability must be verified. Therefore, a criterion is needed to determine if a protein graph can be used for structural comparison. In this paper, we propose a measurement for protein graph remodeling based on graph entropy. We extend the concept of graph entropy to determine whether a graph is suitable for representing a protein. The experimental results suggest that when applied, graph entropy helps a conformational on protein graph modeling. Furthermore, it indirectly contributes to protein structural comparison if a protein graph is solid.

Adjusting protein graphs based on graph entropy

PubMed Central

2014-01-01

Measuring protein structural similarity attempts to establish a relationship of equivalence between polymer structures based on their conformations. In several recent studies, researchers have explored protein-graph remodeling, instead of looking a minimum superimposition for pairwise proteins. When graphs are used to represent structured objects, the problem of measuring object similarity become one of computing the similarity between graphs. Graph theory provides an alternative perspective as well as efficiency. Once a protein graph has been created, its structural stability must be verified. Therefore, a criterion is needed to determine if a protein graph can be used for structural comparison. In this paper, we propose a measurement for protein graph remodeling based on graph entropy. We extend the concept of graph entropy to determine whether a graph is suitable for representing a protein. The experimental results suggest that when applied, graph entropy helps a conformational on protein graph modeling. Furthermore, it indirectly contributes to protein structural comparison if a protein graph is solid. PMID:25474347

The Law of Entropy Increase - A Lab Experiment

NASA Astrophysics Data System (ADS)

Dittrich, William; Drosd, Robert; Minkin, Leonid; Shapovalov, Alexander S.

2016-09-01

The second law of thermodynamics has various formulations. There is the "Clausius formulation," which can be stated in a very intuitive way: "No process is possible whose sole result is the transfer of heat from a cooler to a hotter body." There is also the "Kelvin-Plank principle," which states that "no cyclic process exists whose sole result is the absorption of heat from a reservoir and the conversion of all this heat into work" [emphasis added] (since this would require perfect energy conversion efficiency). Both these statements can be presented to physics students in a conceptual manner, and students' "everyday" experiences will support either statement of the second law of thermodynamics. However, when the second law of thermodynamics is expressed using the concept of entropy (ΔS ≥ 0, for a closed system), most first-year physics students lack any direct experimental experience with this parameter. This paper describes a calculation of the increase in entropy that can be performed while completing three traditional thermodynamics experiments. These simple and quick calculations help students become familiar and comfortable with the concept of entropy. This paper is complementary to prior work where classroom activities were developed to provide insight into the statistical nature of entropy.

Entanglement entropy production in gravitational collapse: covariant regularization and solvable models

NASA Astrophysics Data System (ADS)

Bianchi, Eugenio; De Lorenzo, Tommaso; Smerlak, Matteo

2015-06-01

We study the dynamics of vacuum entanglement in the process of gravitational collapse and subsequent black hole evaporation. In the first part of the paper, we introduce a covariant regularization of entanglement entropy tailored to curved spacetimes; this regularization allows us to propose precise definitions for the concepts of black hole "exterior entropy" and "radiation entropy." For a Vaidya model of collapse we find results consistent with the standard thermodynamic properties of Hawking radiation. In the second part of the paper, we compute the vacuum entanglement entropy of various spherically-symmetric spacetimes of interest, including the nonsingular black hole model of Bardeen, Hayward, Frolov and Rovelli-Vidotto and the "black hole fireworks" model of Haggard-Rovelli. We discuss specifically the role of event and trapping horizons in connection with the behavior of the radiation entropy at future null infinity. We observe in particular that ( i) in the presence of an event horizon the radiation entropy diverges at the end of the evaporation process, ( ii) in models of nonsingular evaporation (with a trapped region but no event horizon) the generalized second law holds only at early times and is violated in the "purifying" phase, ( iii) at late times the radiation entropy can become negative (i.e. the radiation can be less correlated than the vacuum) before going back to zero leading to an up-down-up behavior for the Page curve of a unitarily evaporating black hole.

Recommendations and illustrations for the evaluation of photonic random number generators

NASA Astrophysics Data System (ADS)

Hart, Joseph D.; Terashima, Yuta; Uchida, Atsushi; Baumgartner, Gerald B.; Murphy, Thomas E.; Roy, Rajarshi

2017-09-01

The never-ending quest to improve the security of digital information combined with recent improvements in hardware technology has caused the field of random number generation to undergo a fundamental shift from relying solely on pseudo-random algorithms to employing optical entropy sources. Despite these significant advances on the hardware side, commonly used statistical measures and evaluation practices remain ill-suited to understand or quantify the optical entropy that underlies physical random number generation. We review the state of the art in the evaluation of optical random number generation and recommend a new paradigm: quantifying entropy generation and understanding the physical limits of the optical sources of randomness. In order to do this, we advocate for the separation of the physical entropy source from deterministic post-processing in the evaluation of random number generators and for the explicit consideration of the impact of the measurement and digitization process on the rate of entropy production. We present the Cohen-Procaccia estimate of the entropy rate h (𝜖 ,τ ) as one way to do this. In order to provide an illustration of our recommendations, we apply the Cohen-Procaccia estimate as well as the entropy estimates from the new NIST draft standards for physical random number generators to evaluate and compare three common optical entropy sources: single photon time-of-arrival detection, chaotic lasers, and amplified spontaneous emission.

Derivation of the spin-glass order parameter from stochastic thermodynamics

NASA Astrophysics Data System (ADS)

Crisanti, A.; Picco, M.; Ritort, F.

2018-05-01

A fluctuation relation is derived to extract the order parameter function q (x ) in weakly ergodic systems. The relation is based on measuring and classifying entropy production fluctuations according to the value of the overlap q between configurations. For a fixed value of q , entropy production fluctuations are Gaussian distributed allowing us to derive the quasi-FDT so characteristic of aging systems. The theory is validated by extracting the q (x ) in various types of glassy models. It might be generally applicable to other nonequilibrium systems and experimental small systems.

Generating intrinsically disordered protein conformational ensembles from a Markov chain

NASA Astrophysics Data System (ADS)

Cukier, Robert I.

2018-03-01

Intrinsically disordered proteins (IDPs) sample a diverse conformational space. They are important to signaling and regulatory pathways in cells. An entropy penalty must be payed when an IDP becomes ordered upon interaction with another protein or a ligand. Thus, the degree of conformational disorder of an IDP is of interest. We create a dichotomic Markov model that can explore entropic features of an IDP. The Markov condition introduces local (neighbor residues in a protein sequence) rotamer dependences that arise from van der Waals and other chemical constraints. A protein sequence of length N is characterized by its (information) entropy and mutual information, MIMC, the latter providing a measure of the dependence among the random variables describing the rotamer probabilities of the residues that comprise the sequence. For a Markov chain, the MIMC is proportional to the pair mutual information MI which depends on the singlet and pair probabilities of neighbor residue rotamer sampling. All 2N sequence states are generated, along with their probabilities, and contrasted with the probabilities under the assumption of independent residues. An efficient method to generate realizations of the chain is also provided. The chain entropy, MIMC, and state probabilities provide the ingredients to distinguish different scenarios using the terminologies: MoRF (molecular recognition feature), not-MoRF, and not-IDP. A MoRF corresponds to large entropy and large MIMC (strong dependence among the residues' rotamer sampling), a not-MoRF corresponds to large entropy but small MIMC, and not-IDP corresponds to low entropy irrespective of the MIMC. We show that MorFs are most appropriate as descriptors of IDPs. They provide a reasonable number of high-population states that reflect the dependences between neighbor residues, thus classifying them as IDPs, yet without very large entropy that might lead to a too high entropy penalty.

Binarized cross-approximate entropy in crowdsensing environment.

PubMed

Skoric, Tamara; Mohamoud, Omer; Milovanovic, Branislav; Japundzic-Zigon, Nina; Bajic, Dragana

2017-01-01

Personalised monitoring in health applications has been recognised as part of the mobile crowdsensing concept, where subjects equipped with sensors extract information and share them for personal or common benefit. Limited transmission resources impose the use of local analyses methodology, but this approach is incompatible with analytical tools that require stationary and artefact-free data. This paper proposes a computationally efficient binarised cross-approximate entropy, referred to as (X)BinEn, for unsupervised cardiovascular signal processing in environments where energy and processor resources are limited. The proposed method is a descendant of the cross-approximate entropy ((X)ApEn). It operates on binary, differentially encoded data series split into m-sized vectors. The Hamming distance is used as a distance measure, while a search for similarities is performed on the vector sets. The procedure is tested on rats under shaker and restraint stress, and compared to the existing (X)ApEn results. The number of processing operations is reduced. (X)BinEn captures entropy changes in a similar manner to (X)ApEn. The coding coarseness yields an adverse effect of reduced sensitivity, but it attenuates parameter inconsistency and binary bias. A special case of (X)BinEn is equivalent to Shannon's entropy. A binary conditional entropy for m =1 vectors is embedded into the (X)BinEn procedure. (X)BinEn can be applied to a single time series as an auto-entropy method, or to a pair of time series, as a cross-entropy method. Its low processing requirements makes it suitable for mobile, battery operated, self-attached sensing devices, with limited power and processor resources. Copyright © 2016 Elsevier Ltd. All rights reserved.

Entropy of balance - some recent results

PubMed Central

2010-01-01

Background Entropy when applied to biological signals is expected to reflect the state of the biological system. However the physiological interpretation of the entropy is not always straightforward. When should high entropy be interpreted as a healthy sign, and when as marker of deteriorating health? We address this question for the particular case of human standing balance and the Center of Pressure data. Methods We have measured and analyzed balance data of 136 participants (young, n = 45; elderly, n = 91) comprising in all 1085 trials, and calculated the Sample Entropy (SampEn) for medio-lateral (M/L) and anterior-posterior (A/P) Center of Pressure (COP) together with the Hurst self-similariy (ss) exponent α using Detrended Fluctuation Analysis (DFA). The COP was measured with a force plate in eight 30 seconds trials with eyes closed, eyes open, foam, self-perturbation and nudge conditions. Results 1) There is a significant difference in SampEn for the A/P-direction between the elderly and the younger groups Old > young. 2) For the elderly we have in general A/P > M/L. 3) For the younger group there was no significant A/P-M/L difference with the exception for the nudge trials where we had the reverse situation, A/P < M/L. 4) For the elderly we have, Eyes Closed > Eyes Open. 5) In case of the Hurst ss-exponent we have for the elderly, M/L > A/P. Conclusions These results seem to be require some modifications of the more or less established attention-constraint interpretation of entropy. This holds that higher entropy correlates with a more automatic and a less constrained mode of balance control, and that a higher entropy reflects, in this sense, a more efficient balancing. PMID:20670457

Central Charges and the Sign of Entanglement in 4D Conformal Field Theories.

PubMed

Perlmutter, Eric; Rangamani, Mukund; Rota, Massimiliano

2015-10-23

We explore properties of the universal terms in the entanglement entropy and logarithmic negativity in 4D conformal field theories, aiming to clarify the ways in which they behave like the analogous entanglement measures in quantum mechanics. We show that, unlike entanglement entropy in finite-dimensional systems, the sign of the universal part of entanglement entropy is indeterminate. In particular, if and only if the central charges obey a>c, the entanglement across certain classes of entangling surfaces can become arbitrarily negative, depending on the geometry and topology of the surface. The negative contribution is proportional to the product of a-c and the genus of the surface. Similarly, we show that in a>c theories, the logarithmic negativity does not always exceed the entanglement entropy.

Dynamical Disentangling and Cooling of Atoms in Bilayer Optical Lattices

NASA Astrophysics Data System (ADS)

Kantian, A.; Langer, S.; Daley, A. J.

2018-02-01

We show how experimentally available bilayer lattice systems can be used to prepare quantum many-body states with exceptionally low entropy in one layer, by dynamically disentangling the two layers. This disentangling operation moves one layer—subsystem A —into a regime where excitations in A develop a single-particle gap. As a result, this operation maps directly to cooling for subsystem A , with entropy being shuttled to the other layer. For both bosonic and fermionic atoms, we study the corresponding dynamics showing that disentangling can be realized cleanly in ongoing experiments. The corresponding entanglement entropies are directly measurable with quantum gas microscopes, and, as a tool for producing lower-entropy states, this technique opens a range of applications beginning with simplifying production of magnetically ordered states of bosons and fermions.

Effects of temperature and mass conservation on the typical chemical sequences of hydrogen oxidation

NASA Astrophysics Data System (ADS)

Nicholson, Schuyler B.; Alaghemandi, Mohammad; Green, Jason R.

2018-01-01

Macroscopic properties of reacting mixtures are necessary to design synthetic strategies, determine yield, and improve the energy and atom efficiency of many chemical processes. The set of time-ordered sequences of chemical species are one representation of the evolution from reactants to products. However, only a fraction of the possible sequences is typical, having the majority of the joint probability and characterizing the succession of chemical nonequilibrium states. Here, we extend a variational measure of typicality and apply it to atomistic simulations of a model for hydrogen oxidation over a range of temperatures. We demonstrate an information-theoretic methodology to identify typical sequences under the constraints of mass conservation. Including these constraints leads to an improved ability to learn the chemical sequence mechanism from experimentally accessible data. From these typical sequences, we show that two quantities defining the variational typical set of sequences—the joint entropy rate and the topological entropy rate—increase linearly with temperature. These results suggest that, away from explosion limits, data over a narrow range of thermodynamic parameters could be sufficient to extrapolate these typical features of combustion chemistry to other conditions.

Communication: The electronic entropy of charged defect formation and its impact on thermochemical redox cycles

NASA Astrophysics Data System (ADS)

Lany, Stephan

2018-02-01

The ideal material for solar thermochemical water splitting, which has yet to be discovered, must satisfy stringent conditions for the free energy of reduction, including, in particular, a sufficiently large positive contribution from the solid-state entropy. By inverting the commonly used relationship between defect formation energy and defect concentration, it is shown here that charged defect formation causes a large electronic entropy contribution manifesting itself as the temperature dependence of the Fermi level. This result is a general feature of charged defect formation and motivates new materials design principles for solar thermochemical hydrogen production.

Communication: The electronic entropy of charged defect formation and its impact on thermochemical redox cycles

DOE PAGES

Lany, Stephan

2018-02-21

The ideal material for solar thermochemical water splitting, which has yet to be discovered, must satisfy stringent conditions for the free energy of reduction, including, in particular, a sufficiently large positive contribution from the solid-state entropy. By inverting the commonly used relationship between defect formation energy and defect concentration, it is shown here that charged defect formation causes a large electronic entropy contribution manifesting itself as the temperature dependence of the Fermi level. This result is a general feature of charged defect formation and motivates new materials design principles for solar thermochemical hydrogen production.

Communication: The electronic entropy of charged defect formation and its impact on thermochemical redox cycles

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

Lany, Stephan

The ideal material for solar thermochemical water splitting, which has yet to be discovered, must satisfy stringent conditions for the free energy of reduction, including, in particular, a sufficiently large positive contribution from the solid-state entropy. By inverting the commonly used relationship between defect formation energy and defect concentration, it is shown here that charged defect formation causes a large electronic entropy contribution manifesting itself as the temperature dependence of the Fermi level. This result is a general feature of charged defect formation and motivates new materials design principles for solar thermochemical hydrogen production.

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

NASA Astrophysics Data System (ADS)

Attard, Phil

2006-12-01

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

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

NASA Technical Reports Server (NTRS)

Sohn, Byung-Ju; Smith, Eric A.

1993-01-01

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

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

NASA Astrophysics Data System (ADS)

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

2017-05-01

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

Novel carbon-ion fuel cells. Quarterly technical report No. 9, October 1, 1995--December 31, 1995

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

Cocks, F.H.

1995-12-31

This report presents research to develop an entirely new, fundamentally different class of fuel cell using a solid electrolyte that transports carbon ions. This fuel cell would use solid carbon dissolved in molten metal as a fuel reservoir and anode; expensive gaseous or liquid fuel would not be required. Thermodynamic factors favor a carbon-ion fuel cell over other fuel cell designs: a combination of enthalpy, entropy, and Gibbs free energy makes the reaction of solid carbon and oxygen very efficient, and the entropy change allows this efficiency to slightly increase at high temperatures. The high temperature exhaust of the fuelmore » cell would make it useful as a ``topping cycle``, to be followed by conventional steam turbine systems.« less

Investigating the structure preserving encryption of high efficiency video coding (HEVC)

NASA Astrophysics Data System (ADS)

Shahid, Zafar; Puech, William

2013-02-01

This paper presents a novel method for the real-time protection of new emerging High Efficiency Video Coding (HEVC) standard. Structure preserving selective encryption is being performed in CABAC entropy coding module of HEVC, which is significantly different from CABAC entropy coding of H.264/AVC. In CABAC of HEVC, exponential Golomb coding is replaced by truncated Rice (TR) up to a specific value for binarization of transform coefficients. Selective encryption is performed using AES cipher in cipher feedback mode on a plaintext of binstrings in a context aware manner. The encrypted bitstream has exactly the same bit-rate and is format complaint. Experimental evaluation and security analysis of the proposed algorithm is performed on several benchmark video sequences containing different combinations of motion, texture and objects.

Low-dimensional approximation searching strategy for transfer entropy from non-uniform embedding

PubMed Central

2018-01-01

Transfer entropy from non-uniform embedding is a popular tool for the inference of causal relationships among dynamical subsystems. In this study we present an approach that makes use of low-dimensional conditional mutual information quantities to decompose the original high-dimensional conditional mutual information in the searching procedure of non-uniform embedding for significant variables at different lags. We perform a series of simulation experiments to assess the sensitivity and specificity of our proposed method to demonstrate its advantage compared to previous algorithms. The results provide concrete evidence that low-dimensional approximations can help to improve the statistical accuracy of transfer entropy in multivariate causality analysis and yield a better performance over other methods. The proposed method is especially efficient as the data length grows. PMID:29547669

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

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

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

2015-09-01

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

Entanglement entropy between virtual and real excitations in quantum electrodynamics

NASA Astrophysics Data System (ADS)

Ardenghi, Juan Sebastián

2018-05-01

The aim of this work is to introduce the entanglement entropy of real and virtual excitations of fermion and photon fields. By rewriting the generating functional of quantum electrodynamics theory as an inner product between quantum operators, it is possible to obtain quantum density operators representing the propagation of real and virtual particles. These operators are partial traces, where the degrees of freedom traced out are unobserved excitations. Then the von Neumann definition of entropy can be applied to these quantum operators and in particular, for the partial traces taken over by the internal or external degrees of freedom. A universal behavior is obtained for the entanglement entropy for different quantum fields at zeroth order in the coupling constant. In order to obtain numerical results at different orders in the perturbation expansion, the Bloch-Nordsieck model is considered, where it is shown that for some particular values of the electric charge, the von Neumann entropy increases or decreases with respect to the noninteracting case.

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

NASA Astrophysics Data System (ADS)

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

2013-11-01

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

Viscous regularization of the full set of nonequilibrium-diffusion Grey Radiation-Hydrodynamic equations

DOE PAGES

Delchini, Marc O.; Ragusa, Jean C.; Ferguson, Jim

2017-02-17

A viscous regularization technique, based on the local entropy residual, was proposed by Delchini et al. (2015) to stabilize the nonequilibrium-diffusion Grey Radiation-Hydrodynamic equations using an artificial viscosity technique. This viscous regularization is modulated by the local entropy production and is consistent with the entropy minimum principle. However, Delchini et al. (2015) only based their work on the hyperbolic parts of the Grey Radiation-Hydrodynamic equations and thus omitted the relaxation and diffusion terms present in the material energy and radiation energy equations. Here in this paper, we extend the theoretical grounds for the method and derive an entropy minimum principlemore » for the full set of nonequilibrium-diffusion Grey Radiation-Hydrodynamic equations. This further strengthens the applicability of the entropy viscosity method as a stabilization technique for radiation-hydrodynamic shock simulations. Radiative shock calculations using constant and temperature-dependent opacities are compared against semi-analytical reference solutions, and we present a procedure to perform spatial convergence studies of such simulations.« less

Monitoring the informational efficiency of European corporate bond markets with dynamical permutation min-entropy

NASA Astrophysics Data System (ADS)

Zunino, Luciano; Bariviera, Aurelio F.; Guercio, M. Belén; Martinez, Lisana B.; Rosso, Osvaldo A.

2016-08-01

In this paper the permutation min-entropy has been implemented to unveil the presence of temporal structures in the daily values of European corporate bond indices from April 2001 to August 2015. More precisely, the informational efficiency evolution of the prices of fifteen sectorial indices has been carefully studied by estimating this information-theory-derived symbolic tool over a sliding time window. Such a dynamical analysis makes possible to obtain relevant conclusions about the effect that the 2008 credit crisis has had on the different European corporate bond sectors. It is found that the informational efficiency of some sectors, namely banks, financial services, insurance, and basic resources, has been strongly reduced due to the financial crisis whereas another set of sectors, integrated by chemicals, automobiles, media, energy, construction, industrial goods & services, technology, and telecommunications has only suffered a transitory loss of efficiency. Last but not least, the food & beverage, healthcare, and utilities sectors show a behavior close to a random walk practically along all the period of analysis, confirming a remarkable immunity against the 2008 financial crisis.

Entropic and near-field improvements of thermoradiative cells

DOE PAGES

Hsu, Wei -Chun; Tong, Jonathan K.; Liao, Bolin; ...

2016-10-13

A p-n junction maintained at above ambient temperature can work as a heat engine, converting some of the supplied heat into electricity and rejecting entropy by interband emission. Such thermoradiative cells have potential to harvest low-grade heat into electricity. By analyzing the entropy content of different spectral components of thermal radiation, we identify an approach to increase the efficiency of thermoradiative cells via spectrally selecting long-wavelength photons for radiative exchange. Furthermore, we predict that the near-field photon extraction by coupling photons generated from interband electronic transition to phonon polariton modes on the surface of a heat sink can increase themore » conversion efficiency as well as the power generation density, providing more opportunities to efficiently utilize terrestrial emission for clean energy. An ideal InSb thermoradiative cell can achieve a maximum efficiency and power density up to 20.4% and 327 Wm -2, respectively, between a hot source at 500 K and a cold sink at 300 K. Furthermore, sub-bandgap and non-radiative losses will significantly degrade the cell performance.« less

Entropic and Near-Field Improvements of Thermoradiative Cells

PubMed Central

Hsu, Wei-Chun; Tong, Jonathan K.; Liao, Bolin; Huang, Yi; Boriskina, Svetlana V.; Chen, Gang

2016-01-01

A p-n junction maintained at above ambient temperature can work as a heat engine, converting some of the supplied heat into electricity and rejecting entropy by interband emission. Such thermoradiative cells have potential to harvest low-grade heat into electricity. By analyzing the entropy content of different spectral components of thermal radiation, we identify an approach to increase the efficiency of thermoradiative cells via spectrally selecting long-wavelength photons for radiative exchange. Furthermore, we predict that the near-field photon extraction by coupling photons generated from interband electronic transition to phonon polariton modes on the surface of a heat sink can increase the conversion efficiency as well as the power generation density, providing more opportunities to efficiently utilize terrestrial emission for clean energy. An ideal InSb thermoradiative cell can achieve a maximum efficiency and power density up to 20.4% and 327 Wm−2, respectively, between a hot source at 500 K and a cold sink at 300 K. However, sub-bandgap and non-radiative losses will significantly degrade the cell performance. PMID:27734902

Dynamical maps, quantum detailed balance, and the Petz recovery map

NASA Astrophysics Data System (ADS)

Alhambra, Álvaro M.; Woods, Mischa P.

2017-08-01

Markovian master equations (formally known as quantum dynamical semigroups) can be used to describe the evolution of a quantum state ρ when in contact with a memoryless thermal bath. This approach has had much success in describing the dynamics of real-life open quantum systems in the laboratory. Such dynamics increase the entropy of the state ρ and the bath until both systems reach thermal equilibrium, at which point entropy production stops. Our main result is to show that the entropy production at time t is bounded by the relative entropy between the original state and the state at time 2 t . The bound puts strong constraints on how quickly a state can thermalize, and we prove that the factor of 2 is tight. The proof makes use of a key physically relevant property of these dynamical semigroups, detailed balance, showing that this property is intimately connected with the field of recovery maps from quantum information theory. We envisage that the connections made here between the two fields will have further applications. We also use this connection to show that a similar relation can be derived when the fixed point is not thermal.

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

Wu, Wei; Wang, Jin, E-mail: jin.wang.1@stonybrook.edu; State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 130022 Changchun, China and College of Physics, Jilin University, 130021 Changchun

We have established a general non-equilibrium thermodynamic formalism consistently applicable to both spatially homogeneous and, more importantly, spatially inhomogeneous systems, governed by the Langevin and Fokker-Planck stochastic dynamics with multiple state transition mechanisms, using the potential-flux landscape framework as a bridge connecting stochastic dynamics with non-equilibrium thermodynamics. A set of non-equilibrium thermodynamic equations, quantifying the relations of the non-equilibrium entropy, entropy flow, entropy production, and other thermodynamic quantities, together with their specific expressions, is constructed from a set of dynamical decomposition equations associated with the potential-flux landscape framework. The flux velocity plays a pivotal role on both the dynamic andmore » thermodynamic levels. On the dynamic level, it represents a dynamic force breaking detailed balance, entailing the dynamical decomposition equations. On the thermodynamic level, it represents a thermodynamic force generating entropy production, manifested in the non-equilibrium thermodynamic equations. The Ornstein-Uhlenbeck process and more specific examples, the spatial stochastic neuronal model, in particular, are studied to test and illustrate the general theory. This theoretical framework is particularly suitable to study the non-equilibrium (thermo)dynamics of spatially inhomogeneous systems abundant in nature. This paper is the second of a series.« less

On Entropy Generation and the Effect of Heat and Mass Transfer Coupling in a Distillation Process

NASA Astrophysics Data System (ADS)

Burgos-Madrigal, Paulina; Mendoza, Diego F.; López de Haro, Mariano

2018-01-01

The entropy production rates as obtained from the exergy analysis, entropy balance and the nonequilibrium thermodynamics approach are compared for two distillation columns. The first case is a depropanizer column involving a mixture of ethane, propane, n-butane and n-pentane. The other is a weighed sample of Mexican crude oil distilled with a pilot scale fractionating column. The composition, temperature and flow profiles, for a given duty and operating conditions in each column, are obtained with the Aspen Plus V8.4 software by using the RateFrac model with a rate-based nonequilibrium column. For the depropanizer column the highest entropy production rate is found in the central trays where most of the mass transfer occurs, while in the second column the highest values correspond to the first three stages (where the vapor mixture is in contact with the cold liquid reflux), and to the last three stages (where the highest temperatures take place). The importance of the explicit inclusion of thermal diffusion in these processes is evaluated. In the depropanizer column, the effect of the coupling between heat and mass transfer is found to be negligible, while for the fractionating column it becomes appreciable.

Natural convection of a two-dimensional Boussinesq fluid does not maximize entropy production.

PubMed

Bartlett, Stuart; Bullock, Seth

2014-08-01

Rayleigh-Bénard convection is a canonical example of spontaneous pattern formation in a nonequilibrium system. It has been the subject of considerable theoretical and experimental study, primarily for systems with constant (temperature or heat flux) boundary conditions. In this investigation, we have explored the behavior of a convecting fluid system with negative feedback boundary conditions. At the upper and lower system boundaries, the inward heat flux is defined such that it is a decreasing function of the boundary temperature. Thus the system's heat transport is not constrained in the same manner that it is in the constant temperature or constant flux cases. It has been suggested that the entropy production rate (which has a characteristic peak at intermediate heat flux values) might apply as a selection rule for such a system. In this work, we demonstrate with Lattice Boltzmann simulations that entropy production maximization does not dictate the steady state of this system, despite its success in other, somewhat similar scenarios. Instead, we will show that the same scaling law of dimensionless variables found for constant boundary conditions also applies to this system.

The Rényi entanglement entropy of a general quantum dimer model at the RK point: a highly efficient algorithm.

PubMed

Pei, Jiquan; Han, Steve; Liao, Haijun; Li, Tao

2014-01-22

A highly efficient and simple-to-implement Monte Carlo algorithm is proposed for the evaluation of the Rényi entanglement entropy (REE) of the quantum dimer model (QDM) at the Rokhsar-Kivelson (RK) point. It makes possible the evaluation of REE at the RK point to the thermodynamic limit for a general QDM. We apply the algorithm to a QDM defined on the triangular and the square lattice in two dimensions and the simple and the face centered cubic (fcc) lattice in three dimensions. We find the REE on all these lattices follows perfect linear scaling in the thermodynamic limit, apart from an even-odd oscillation in the case of the square lattice. We also evaluate the topological entanglement entropy (TEE) with both a subtraction and an extrapolation procedure. We find the QDMs on both the triangular and the fcc lattice exhibit robust Z2 topological order. The expected TEE of ln2 is clearly demonstrated in both cases. Our large scale simulation also proves the recently proposed extrapolation procedure in cylindrical geometry to be a highly reliable way to extract the TEE of a topologically ordered system.

High-entropy ejections from magnetized proto-neutron star winds: implications for heavy element nucleosynthesis

NASA Astrophysics Data System (ADS)

Thompson, Todd A.; ud-Doula, Asif

2018-06-01

Although initially thought to be promising for production of the r-process nuclei, standard models of neutrino-heated winds from proto-neutron stars (PNSs) do not reach the requisite neutron-to-seed ratio for production of the lanthanides and actinides. However, the abundance distribution created by the r-, rp-, or νp-processes in PNS winds depends sensitively on the entropy and dynamical expansion time-scale of the flow, which may be strongly affected by high magnetic fields. Here, we present results from magnetohydrodynamic simulations of non-rotating neutrino-heated PNS winds with strong dipole magnetic fields from 1014 to 1016 G, and assess their role in altering the conditions for nucleosynthesis. The strong field forms a closed zone and helmet streamer configuration at the equator, with episodic dynamical mass ejections in toroidal plasmoids. We find dramatically enhanced entropy in these regions and conditions favourable for third-peak r-process nucleosynthesis if the wind is neutron-rich. If instead the wind is proton-rich, the conditions will affect the abundances from the νp-process. We quantify the distribution of ejected matter in entropy and dynamical expansion time-scale, and the critical magnetic field strength required to affect the entropy. For B ≳1015 G, we find that ≳10-6 M⊙ and up to ˜10-5 M⊙ of high-entropy material is ejected per highly magnetized neutron star birth in the wind phase, providing a mechanism for prompt heavy element enrichment of the universe. Former binary companions identified within (magnetar-hosting) supernova remnants, the remnants themselves, and runaway stars may exhibit overabundances. We provide a comparison with a semi-analytic model of plasmoid eruption and discuss implications and extensions.

Develop and Test a Solvent Accessible Surface Area-Based Model in Conformational Entropy Calculations

PubMed Central

Wang, Junmei; Hou, Tingjun

2012-01-01

It is of great interest in modern drug design to accurately calculate the free energies of protein-ligand or nucleic acid-ligand binding. MM-PBSA (Molecular Mechanics-Poisson Boltzmann Surface Area) and MM-GBSA (Molecular Mechanics-Generalized Born Surface Area) have gained popularity in this field. For both methods, the conformational entropy, which is usually calculated through normal mode analysis (NMA), is needed to calculate the absolute binding free energies. Unfortunately, NMA is computationally demanding and becomes a bottleneck of the MM-PB/GBSA-NMA methods. In this work, we have developed a fast approach to estimate the conformational entropy based upon solvent accessible surface area calculations. In our approach, the conformational entropy of a molecule, S, can be obtained by summing up the contributions of all atoms, no matter they are buried or exposed. Each atom has two types of surface areas, solvent accessible surface area (SAS) and buried SAS (BSAS). The two types of surface areas are weighted to estimate the contribution of an atom to S. Atoms having the same atom type share the same weight and a general parameter k is applied to balance the contributions of the two types of surface areas. This entropy model was parameterized using a large set of small molecules for which their conformational entropies were calculated at the B3LYP/6-31G* level taking the solvent effect into account. The weighted solvent accessible surface area (WSAS) model was extensively evaluated in three tests. For the convenience, TS, the product of temperature T and conformational entropy S, were calculated in those tests. T was always set to 298.15 K through the text. First of all, good correlations were achieved between WSAS TS and NMA TS for 44 protein or nucleic acid systems sampled with molecular dynamics simulations (10 snapshots were collected for post-entropy calculations): the mean correlation coefficient squares (R2) was 0.56. As to the 20 complexes, the TS changes upon binding, TΔS, were also calculated and the mean R2 was 0.67 between NMA and WSAS. In the second test, TS were calculated for 12 proteins decoy sets (each set has 31 conformations) generated by the Rosetta software package. Again, good correlations were achieved for all decoy sets: the mean, maximum, minimum of R2 were 0.73, 0.89 and 0.55, respectively. Finally, binding free energies were calculated for 6 protein systems (the numbers of inhibitors range from 4 to 18) using four scoring functions. Compared to the measured binding free energies, the mean R2 of the six protein systems were 0.51, 0.47, 0.40 and 0.43 for MM-GBSA-WSAS, MM-GBSA-NMA, MM-PBSA-WSAS and MM-PBSA-NMA, respectively. The mean RMS errors of prediction were 1.19, 1.24, 1.41, 1.29 kcal/mol for the four scoring functions, correspondingly. Therefore, the two scoring functions employing WSAS achieved a comparable prediction performance to that of the scoring functions using NMA. It should be emphasized that no minimization was performed prior to the WSAS calculation in the last test. Although WSAS is not as rigorous as physical models such as quasi-harmonic analysis and thermodynamic integration (TI), it is computationally very efficient as only surface area calculation is involved and no structural minimization is required. Moreover, WSAS has achieved a comparable performance to normal mode analysis. We expect that this model could find its applications in the fields like high throughput screening (HTS), molecular docking and rational protein design. In those fields, efficiency is crucial since there are a large number of compounds, docking poses or protein models to be evaluated. A list of acronyms and abbreviations used in this work is provided for quick reference. PMID:22497310

Dissipation and entropy production in open quantum systems

NASA Astrophysics Data System (ADS)

Majima, H.; Suzuki, A.

2010-11-01

A microscopic description of an open system is generally expressed by the Hamiltonian of the form: Htot = Hsys + Henviron + Hsys-environ. We developed a microscopic theory of entropy and derived a general formula, so-called "entropy-Hamiltonian relation" (EHR), that connects the entropy of the system to the interaction Hamiltonian represented by Hsys-environ for a nonequilibrium open quantum system. To derive the EHR formula, we mapped the open quantum system to the representation space of the Liouville-space formulation or thermo field dynamics (TFD), and thus worked on the representation space Script L := Script H otimes , where Script H denotes the ordinary Hilbert space while the tilde Hilbert space conjugates to Script H. We show that the natural transformation (mapping) of nonequilibrium open quantum systems is accomplished within the theoretical structure of TFD. By using the obtained EHR formula, we also derived the equation of motion for the distribution function of the system. We demonstrated that by knowing the microscopic description of the interaction, namely, the specific form of Hsys-environ on the representation space Script L, the EHR formulas enable us to evaluate the entropy of the system and to gain some information about entropy for nonequilibrium open quantum systems.

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

Rosales-Zarate, Laura E. C.; Drummond, P. D.

We calculate the quantum Renyi entropy in a phase-space representation for either fermions or bosons. This can also be used to calculate purity and fidelity, or the entanglement between two systems. We show that it is possible to calculate the entropy from sampled phase-space distributions in normally ordered representations, although this is not possible for all quantum states. We give an example of the use of this method in an exactly soluble thermal case. The quantum entropy cannot be calculated at all using sampling methods in classical symmetric (Wigner) or antinormally ordered (Husimi) phase spaces, due to inner-product divergences. Themore » preferred method is to use generalized Gaussian phase-space methods, which utilize a distribution over stochastic Green's functions. We illustrate this approach by calculating the reduced entropy and entanglement of bosonic or fermionic modes coupled to a time-evolving, non-Markovian reservoir.« less

Steepest entropy ascent quantum thermodynamic model of electron and phonon transport

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Relative entropy and optimization-driven coarse-graining methods in VOTCA

DOE PAGES

Mashayak, S. Y.; Jochum, Mara N.; Koschke, Konstantin; ...

2015-07-20

We discuss recent advances of the VOTCA package for systematic coarse-graining. Two methods have been implemented, namely the downhill simplex optimization and the relative entropy minimization. We illustrate the new methods by coarse-graining SPC/E bulk water and more complex water-methanol mixture systems. The CG potentials obtained from both methods are then evaluated by comparing the pair distributions from the coarse-grained to the reference atomistic simulations.We have also added a parallel analysis framework to improve the computational efficiency of the coarse-graining process.

Fluctuation theorem: A critical review

NASA Astrophysics Data System (ADS)

Malek Mansour, M.; Baras, F.

2017-10-01

Fluctuation theorem for entropy production is revisited in the framework of stochastic processes. The applicability of the fluctuation theorem to physico-chemical systems and the resulting stochastic thermodynamics were analyzed. Some unexpected limitations are highlighted in the context of jump Markov processes. We have shown that these limitations handicap the ability of the resulting stochastic thermodynamics to correctly describe the state of non-equilibrium systems in terms of the thermodynamic properties of individual processes therein. Finally, we considered the case of diffusion processes and proved that the fluctuation theorem for entropy production becomes irrelevant at the stationary state in the case of one variable systems.

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

PubMed

Lorenz, Ralph D

2010-05-12

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

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

PubMed Central

Lorenz, Ralph D.

2010-01-01

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

A survey of the role of thermodynamic stability in viscous flow

NASA Technical Reports Server (NTRS)

Horne, W. C.; Smith, C. A.; Karamcheti, K.

1991-01-01

The stability of near-equilibrium states has been studied as a branch of the general field of nonequilibrium thermodynamics. By treating steady viscous flow as an open thermodynamic system, nonequilibrium principles such as the condition of minimum entropy-production rate for steady, near-equilibrium processes can be used to generate flow distributions from variational analyses. Examples considered in this paper are steady heat conduction, channel flow, and unconstrained three-dimensional flow. The entropy-production-rate condition has also been used for hydrodynamic stability criteria, and calculations of the stability of a laminar wall jet support this interpretation.

A coupled problem of finite deformation and flow in porous media

NASA Astrophysics Data System (ADS)

Moussa, A. B.

1980-06-01

A theory for deformation and two phase flow in porous media was developed. Equations of balance of mass, momentum, moment of momentum and energy for each constituent were postulated. These led to equivalent balance equations for the mixture as a whole to which an entropy production inequality was also postulated. The formulation was then applied to the silage material. A constitutive theory was developed for the mixture. General appropriate constitutive assumptions were suggested and made to satisfy the axiom of material objectivity and entropy production inequality. Material incompressibility was defined and introduced into the general form of constitutive relations.

Entanglement dynamics in critical random quantum Ising chain with perturbations

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

Huang, Yichen, E-mail: ychuang@caltech.edu

We simulate the entanglement dynamics in a critical random quantum Ising chain with generic perturbations using the time-evolving block decimation algorithm. Starting from a product state, we observe super-logarithmic growth of entanglement entropy with time. The numerical result is consistent with the analytical prediction of Vosk and Altman using a real-space renormalization group technique. - Highlights: • We study the dynamical quantum phase transition between many-body localized phases. • We simulate the dynamics of a very long random spin chain with matrix product states. • We observe numerically super-logarithmic growth of entanglement entropy with time.

Metriplectic simulated annealing for quasigeostrophic flow

NASA Astrophysics Data System (ADS)

Morrison, P. J.; Flierl, G. R.

2016-11-01

Metriplectic dynamics is a general form for dynamical systems that embodies the first and second laws of thermodynamics, energy conservation and entropy production. The formalism provides an H-theorem for relaxation to nontrivial equilibrium states. Upon choosing enstrophy as entropy and potential vorticity of the form q =∇2 Ψ + T (x) , recent results of computations, akin to those of, will be described for various topography functions T (x) , including ridge (T = exp (-x2 / 2)) and random functions. Interpretation of the results, in particular their sensitivity to the chosen entropy function will be discussed. PJM supported by U.S. Dept. of Energy Contract # DE-FG05-80ET-53088.

Entropy-Based Approach To Nonlinear Stability

NASA Technical Reports Server (NTRS)

Merriam, Marshal L.

1991-01-01

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

Upper Limits for Power Yield in Thermal, Chemical, and Electrochemical Systems

NASA Astrophysics Data System (ADS)

Sieniutycz, Stanislaw

2010-03-01

We consider modeling and power optimization of energy converters, such as thermal, solar and chemical engines and fuel cells. Thermodynamic principles lead to expressions for converter's efficiency and generated power. Efficiency equations serve to solve the problems of upgrading or downgrading a resource. Power yield is a cumulative effect in a system consisting of a resource, engines, and an infinite bath. While optimization of steady state systems requires using the differential calculus and Lagrange multipliers, dynamic optimization involves variational calculus and dynamic programming. The primary result of static optimization is the upper limit of power, whereas that of dynamic optimization is a finite-rate counterpart of classical reversible work (exergy). The latter quantity depends on the end state coordinates and a dissipation index, h, which is the Hamiltonian of the problem of minimum entropy production. In reacting systems, an active part of chemical affinity constitutes a major component of the overall efficiency. The theory is also applied to fuel cells regarded as electrochemical flow engines. Enhanced bounds on power yield follow, which are stronger than those predicted by the reversible work potential.

Retinal blood vessel extraction using tunable bandpass filter and fuzzy conditional entropy.

PubMed

Sil Kar, Sudeshna; Maity, Santi P

2016-09-01

Extraction of blood vessels on retinal images plays a significant role for screening of different opthalmologic diseases. However, accurate extraction of the entire and individual type of vessel silhouette from the noisy images with poorly illuminated background is a complicated task. To this aim, an integrated system design platform is suggested in this work for vessel extraction using a sequential bandpass filter followed by fuzzy conditional entropy maximization on matched filter response. At first noise is eliminated from the image under consideration through curvelet based denoising. To include the fine details and the relatively less thick vessel structures, the image is passed through a bank of sequential bandpass filter structure optimized for contrast enhancement. Fuzzy conditional entropy on matched filter response is then maximized to find the set of multiple optimal thresholds to extract the different types of vessel silhouettes from the background. Differential Evolution algorithm is used to determine the optimal gain in bandpass filter and the combination of the fuzzy parameters. Using the multiple thresholds, retinal image is classified as the thick, the medium and the thin vessels including neovascularization. Performance evaluated on different publicly available retinal image databases shows that the proposed method is very efficient in identifying the diverse types of vessels. Proposed method is also efficient in extracting the abnormal and the thin blood vessels in pathological retinal images. The average values of true positive rate, false positive rate and accuracy offered by the method is 76.32%, 1.99% and 96.28%, respectively for the DRIVE database and 72.82%, 2.6% and 96.16%, respectively for the STARE database. Simulation results demonstrate that the proposed method outperforms the existing methods in detecting the various types of vessels and the neovascularization structures. The combination of curvelet transform and tunable bandpass filter is found to be very much effective in edge enhancement whereas fuzzy conditional entropy efficiently distinguishes vessels of different widths. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

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

NASA Astrophysics Data System (ADS)

Lineweaver, C. H.

2005-12-01

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

A Boltzmann machine for the organization of intelligent machines

NASA Technical Reports Server (NTRS)

Moed, Michael C.; Saridis, George N.

1990-01-01

A three-tier structure consisting of organization, coordination, and execution levels forms the architecture of an intelligent machine using the principle of increasing precision with decreasing intelligence from a hierarchically intelligent control. This system has been formulated as a probabilistic model, where uncertainty and imprecision can be expressed in terms of entropies. The optimal strategy for decision planning and task execution can be found by minimizing the total entropy in the system. The focus is on the design of the organization level as a Boltzmann machine. Since this level is responsible for planning the actions of the machine, the Boltzmann machine is reformulated to use entropy as the cost function to be minimized. Simulated annealing, expanding subinterval random search, and the genetic algorithm are presented as search techniques to efficiently find the desired action sequence and illustrated with numerical examples.

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

Optimization of pressure gauge locations for water distribution systems using entropy theory.

PubMed

Yoo, Do Guen; Chang, Dong Eil; Jun, Hwandon; Kim, Joong Hoon

2012-12-01

It is essential to select the optimal pressure gauge location for effective management and maintenance of water distribution systems. This study proposes an objective and quantified standard for selecting the optimal pressure gauge location by defining the pressure change at other nodes as a result of demand change at a specific node using entropy theory. Two cases are considered in terms of demand change: that in which demand at all nodes shows peak load by using a peak factor and that comprising the demand change of the normal distribution whose average is the base demand. The actual pressure change pattern is determined by using the emitter function of EPANET to reflect the pressure that changes practically at each node. The optimal pressure gauge location is determined by prioritizing the node that processes the largest amount of information it gives to (giving entropy) and receives from (receiving entropy) the whole system according to the entropy standard. The suggested model is applied to one virtual and one real pipe network, and the optimal pressure gauge location combination is calculated by implementing the sensitivity analysis based on the study results. These analysis results support the following two conclusions. Firstly, the installation priority of the pressure gauge in water distribution networks can be determined with a more objective standard through the entropy theory. Secondly, the model can be used as an efficient decision-making guide for gauge installation in water distribution systems.

Estimating Bayesian Phylogenetic Information Content

PubMed Central

Lewis, Paul O.; Chen, Ming-Hui; Kuo, Lynn; Lewis, Louise A.; Fučíková, Karolina; Neupane, Suman; Wang, Yu-Bo; Shi, Daoyuan

2016-01-01

Measuring the phylogenetic information content of data has a long history in systematics. Here we explore a Bayesian approach to information content estimation. The entropy of the posterior distribution compared with the entropy of the prior distribution provides a natural way to measure information content. If the data have no information relevant to ranking tree topologies beyond the information supplied by the prior, the posterior and prior will be identical. Information in data discourages consideration of some hypotheses allowed by the prior, resulting in a posterior distribution that is more concentrated (has lower entropy) than the prior. We focus on measuring information about tree topology using marginal posterior distributions of tree topologies. We show that both the accuracy and the computational efficiency of topological information content estimation improve with use of the conditional clade distribution, which also allows topological information content to be partitioned by clade. We explore two important applications of our method: providing a compelling definition of saturation and detecting conflict among data partitions that can negatively affect analyses of concatenated data. [Bayesian; concatenation; conditional clade distribution; entropy; information; phylogenetics; saturation.] PMID:27155008

The Effects of Aging and Dual Tasking on Human Gait Complexity During Treadmill Walking: A Comparative Study Using Quantized Dynamical Entropy and Sample Entropy.

PubMed

Ahmadi, Samira; Wu, Christine; Sepehri, Nariman; Kantikar, Anuprita; Nankar, Mayur; Szturm, Tony

2018-01-01

Quantized dynamical entropy (QDE) has recently been proposed as a new measure to quantify the complexity of dynamical systems with the purpose of offering a better computational efficiency. This paper further investigates the viability of this method using five different human gait signals. These signals are recorded while normal walking and while performing secondary tasks among two age groups (young and older age groups). The results are compared with the outcomes of previously established sample entropy (SampEn) measure for the same signals. We also study how analyzing segmented and spatially and temporally normalized signal differs from analyzing whole data. Our findings show that human gait signals become more complex as people age and while they are cognitively loaded. Center of pressure (COP) displacement in mediolateral direction is the best signal for showing the gait changes. Moreover, the results suggest that by segmenting data, more information about intrastride dynamical features are obtained. Most importantly, QDE is shown to be a reliable measure for human gait complexity analysis.

Symbolic phase transfer entropy method and its application

NASA Astrophysics Data System (ADS)

Zhang, Ningning; Lin, Aijing; Shang, Pengjian

2017-10-01

In this paper, we introduce symbolic phase transfer entropy (SPTE) to infer the direction and strength of information flow among systems. The advantages of the proposed method are investigated by simulations on synthetic signals and real-world data. We demonstrate that symbolic phase transfer entropy is a robust and efficient tool to infer the information flow between complex systems. Based on the study of the synthetic data, we find a significant advantage of SPTE is its reduced sensitivity to noise. In addition, SPTE requires less amount of data than symbolic transfer entropy(STE). We analyze the direction and strength of information flow between six stock markets during the period from 2006 to 2016. The results indicate that the information flow among stocks varies over different periods. We also find that the interaction network pattern among stocks undergoes hierarchial reorganization with transition from one period to another. It is shown that the clusters are mainly classified according to period, and then by region. The stocks during the same time period are shown to drop into the same cluster.

Multibody local approximation: Application to conformational entropy calculations on biomolecules

NASA Astrophysics Data System (ADS)

Suárez, Ernesto; Suárez, Dimas

2012-08-01

Multibody type expansions like mutual information expansions are widely used for computing or analyzing properties of large composite systems. The power of such expansions stems from their generality. Their weaknesses, however, are the large computational cost of including high order terms due to the combinatorial explosion and the fact that truncation errors do not decrease strictly with the expansion order. Herein, we take advantage of the redundancy of multibody expansions in order to derive an efficient reformulation that captures implicitly all-order correlation effects within a given cutoff, avoiding the combinatory explosion. This approach, which is cutoff dependent rather than order dependent, keeps the generality of the original expansions and simultaneously mitigates their limitations provided that a reasonable cutoff can be used. An application of particular interest can be the computation of the conformational entropy of flexible peptide molecules from molecular dynamics trajectories. By combining the multibody local estimations of conformational entropy with average values of the rigid-rotor and harmonic-oscillator entropic contributions, we obtain by far a tighter upper bound of the absolute entropy than the one obtained by the broadly used quasi-harmonic method.

Multibody local approximation: application to conformational entropy calculations on biomolecules.

PubMed

Suárez, Ernesto; Suárez, Dimas

2012-08-28

Multibody type expansions like mutual information expansions are widely used for computing or analyzing properties of large composite systems. The power of such expansions stems from their generality. Their weaknesses, however, are the large computational cost of including high order terms due to the combinatorial explosion and the fact that truncation errors do not decrease strictly with the expansion order. Herein, we take advantage of the redundancy of multibody expansions in order to derive an efficient reformulation that captures implicitly all-order correlation effects within a given cutoff, avoiding the combinatory explosion. This approach, which is cutoff dependent rather than order dependent, keeps the generality of the original expansions and simultaneously mitigates their limitations provided that a reasonable cutoff can be used. An application of particular interest can be the computation of the conformational entropy of flexible peptide molecules from molecular dynamics trajectories. By combining the multibody local estimations of conformational entropy with average values of the rigid-rotor and harmonic-oscillator entropic contributions, we obtain by far a tighter upper bound of the absolute entropy than the one obtained by the broadly used quasi-harmonic method.

Local curvature entropy-based 3D terrain representation using a comprehensive Quadtree

NASA Astrophysics Data System (ADS)

Chen, Qiyu; Liu, Gang; Ma, Xiaogang; Mariethoz, Gregoire; He, Zhenwen; Tian, Yiping; Weng, Zhengping

2018-05-01

Large scale 3D digital terrain modeling is a crucial part of many real-time applications in geoinformatics. In recent years, the improved speed and precision in spatial data collection make the original terrain data more complex and bigger, which poses challenges for data management, visualization and analysis. In this work, we presented an effective and comprehensive 3D terrain representation based on local curvature entropy and a dynamic Quadtree. The Level-of-detail (LOD) models of significant terrain features were employed to generate hierarchical terrain surfaces. In order to reduce the radical changes of grid density between adjacent LODs, local entropy of terrain curvature was regarded as a measure of subdividing terrain grid cells. Then, an efficient approach was presented to eliminate the cracks among the different LODs by directly updating the Quadtree due to an edge-based structure proposed in this work. Furthermore, we utilized a threshold of local entropy stored in each parent node of this Quadtree to flexibly control the depth of the Quadtree and dynamically schedule large-scale LOD terrain. Several experiments were implemented to test the performance of the proposed method. The results demonstrate that our method can be applied to construct LOD 3D terrain models with good performance in terms of computational cost and the maintenance of terrain features. Our method has already been deployed in a geographic information system (GIS) for practical uses, and it is able to support the real-time dynamic scheduling of large scale terrain models more easily and efficiently.

Symmetry for the duration of entropy-consuming intervals.

PubMed

García-García, Reinaldo; Domínguez, Daniel

2014-05-01

We introduce the violation fraction υ as the cumulative fraction of time that a mesoscopic system spends consuming entropy at a single trajectory in phase space. We show that the fluctuations of this quantity are described in terms of a symmetry relation reminiscent of fluctuation theorems, which involve a function Φ, which can be interpreted as an entropy associated with the fluctuations of the violation fraction. The function Φ, when evaluated for arbitrary stochastic realizations of the violation fraction, is odd upon the symmetry transformations that are relevant for the associated stochastic entropy production. This fact leads to a detailed fluctuation theorem for the probability density function of Φ. We study the steady-state limit of this symmetry in the paradigmatic case of a colloidal particle dragged by optical tweezers through an aqueous solution. Finally, we briefly discuss possible applications of our results for the estimation of free-energy differences from single-molecule experiments.

A computational study of entropy generation in magnetohydrodynamic flow and heat transfer over an unsteady stretching permeable sheet

NASA Astrophysics Data System (ADS)

Saeed Butt, Adnan; Ali, Asif

2014-01-01

The present article aims to investigate the entropy effects in magnetohydrodynamic flow and heat transfer over an unsteady permeable stretching surface. The time-dependent partial differential equations are converted into non-linear ordinary differential equations by suitable similarity transformations. The solutions of these equations are computed analytically by the Homotopy Analysis Method (HAM) then solved numerically by the MATLAB built-in routine. Comparison of the obtained results is made with the existing literature under limiting cases to validate our study. The effects of unsteadiness parameter, magnetic field parameter, suction/injection parameter, Prandtl number, group parameter and Reynolds number on flow and heat transfer characteristics are checked and analysed with the aid of graphs and tables. Moreover, the effects of these parameters on entropy generation number and Bejan number are also shown graphically. It is examined that the unsteadiness and presence of magnetic field augments the entropy production.

Short interval expansion of Rényi entropy on torus

NASA Astrophysics Data System (ADS)

Chen, Bin; Wu, Jun-Bao; Zhang, Jia-ju

2016-08-01

We investigate the short interval expansion of the Rényi entropy for two-dimensional conformal field theory (CFT) on a torus. We require the length of the interval ℓ to be small with respect to the spatial and temporal sizes of the torus. The operator product expansion of the twist operators allows us to compute the short interval expansion of the Rényi entropy at any temperature. In particular, we pay special attention to the large c CFTs dual to the AdS3 gravity and its cousins. At both low and high temperature limits, we read the Rényi entropies to order ℓ6, and find good agreements with holographic results. Moreover, the expansion allows us to read 1 /c contribution, which is hard to get by expanding the thermal density matrix. We generalize the study to the case with the chemical potential as well.

Irreversibility of financial time series: A graph-theoretical approach

NASA Astrophysics Data System (ADS)

Flanagan, Ryan; Lacasa, Lucas

2016-04-01

The relation between time series irreversibility and entropy production has been recently investigated in thermodynamic systems operating away from equilibrium. In this work we explore this concept in the context of financial time series. We make use of visibility algorithms to quantify, in graph-theoretical terms, time irreversibility of 35 financial indices evolving over the period 1998-2012. We show that this metric is complementary to standard measures based on volatility and exploit it to both classify periods of financial stress and to rank companies accordingly. We then validate this approach by finding that a projection in principal components space of financial years, based on time irreversibility features, clusters together periods of financial stress from stable periods. Relations between irreversibility, efficiency and predictability are briefly discussed.

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

DTIC Science & Technology

2015-08-20

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

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

PubMed Central

Kleidon, A.

2010-01-01

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

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

PubMed

Kleidon, A

2010-05-12

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

Multifractal characteristics of multiparticle production in heavy-ion collisions at SPS energies

NASA Astrophysics Data System (ADS)

Khan, Shaista; Ahmad, Shakeel

Entropy, dimensions and other multifractal characteristics of multiplicity distributions of relativistic charged hadrons produced in ion-ion collisions at SPS energies are investigated. The analysis of the experimental data is carried out in terms of phase space bin-size dependence of multiplicity distributions following the Takagi’s approach. Yet another method is also followed to study the multifractality which, is not related to the bin-width and (or) the detector resolution, rather involves multiplicity distribution of charged particles in full phase space in terms of information entropy and its generalization, Rényi’s order-q information entropy. The findings reveal the presence of multifractal structure — a remarkable property of the fluctuations. Nearly constant values of multifractal specific heat “c” estimated by the two different methods of analysis followed indicate that the parameter “c” may be used as a universal characteristic of the particle production in high energy collisions. The results obtained from the analysis of the experimental data agree well with the predictions of Monte Carlo model AMPT.

Calculating Stress: From Entropy to a Thermodynamic Concept of Health and Disease

PubMed Central

Nečesánek, Ivo; Konečný, David; Vasku, Anna

2016-01-01

To date, contemporary science has lacked a satisfactory tool for the objective expression of stress. This text thus introduces a new–thermodynamically derived–approach to stress measurement, based on entropy production in time and independent of the quality or modality of a given stressor or a combination thereof. Hereto, we propose a novel model of stress response based on thermodynamic modelling of entropy production, both in the tissues/organs and in regulatory feedbacks. Stress response is expressed in our model on the basis of stress entropic load (SEL), a variable we introduced previously; the mathematical expression of SEL, provided here for the first time, now allows us to describe the various states of a living system, including differentiating between states of health and disease. The resulting calculation of stress response regardless of the type of stressor(s) in question is thus poised to become an entirely new tool for predicting the development of a living system. PMID:26771542

Structure-Activity Relationship and Molecular Mechanics Reveal the Importance of Ring Entropy in the Biosynthesis and Activity of a Natural Product.

PubMed

Tran, Hai L; Lexa, Katrina W; Julien, Olivier; Young, Travis S; Walsh, Christopher T; Jacobson, Matthew P; Wells, James A

2017-02-22

Macrocycles are appealing drug candidates due to their high affinity, specificity, and favorable pharmacological properties. In this study, we explored the effects of chemical modifications to a natural product macrocycle upon its activity, 3D geometry, and conformational entropy. We chose thiocillin as a model system, a thiopeptide in the ribosomally encoded family of natural products that exhibits potent antimicrobial effects against Gram-positive bacteria. Since thiocillin is derived from a genetically encoded peptide scaffold, site-directed mutagenesis allows for rapid generation of analogues. To understand thiocillin's structure-activity relationship, we generated a site-saturation mutagenesis library covering each position along thiocillin's macrocyclic ring. We report the identification of eight unique compounds more potent than wild-type thiocillin, the best having an 8-fold improvement in potency. Computational modeling of thiocillin's macrocyclic structure revealed a striking requirement for a low-entropy macrocycle for activity. The populated ensembles of the active mutants showed a rigid structure with few adoptable conformations while inactive mutants showed a more flexible macrocycle which is unfavorable for binding. This finding highlights the importance of macrocyclization in combination with rigidifying post-translational modifications to achieve high-potency binding.

Heat, temperature and Clausius inequality in a model for active Brownian particles

PubMed Central

Marconi, Umberto Marini Bettolo; Puglisi, Andrea; Maggi, Claudio

2017-01-01

Methods of stochastic thermodynamics and hydrodynamics are applied to a recently introduced model of active particles. The model consists of an overdamped particle subject to Gaussian coloured noise. Inspired by stochastic thermodynamics, we derive from the system’s Fokker-Planck equation the average exchanges of heat and work with the active bath and the associated entropy production. We show that a Clausius inequality holds, with the local (non-uniform) temperature of the active bath replacing the uniform temperature usually encountered in equilibrium systems. Furthermore, by restricting the dynamical space to the first velocity moments of the local distribution function we derive a hydrodynamic description where local pressure, kinetic temperature and internal heat fluxes appear and are consistent with the previous thermodynamic analysis. The procedure also shows under which conditions one obtains the unified coloured noise approximation (UCNA): such an approximation neglects the fast relaxation to the active bath and therefore yields detailed balance and zero entropy production. In the last part, by using multiple time-scale analysis, we provide a constructive method (alternative to UCNA) to determine the solution of the Kramers equation and go beyond the detailed balance condition determining negative entropy production. PMID:28429787

Heat, temperature and Clausius inequality in a model for active Brownian particles.

PubMed

Marconi, Umberto Marini Bettolo; Puglisi, Andrea; Maggi, Claudio

2017-04-21

Methods of stochastic thermodynamics and hydrodynamics are applied to a recently introduced model of active particles. The model consists of an overdamped particle subject to Gaussian coloured noise. Inspired by stochastic thermodynamics, we derive from the system's Fokker-Planck equation the average exchanges of heat and work with the active bath and the associated entropy production. We show that a Clausius inequality holds, with the local (non-uniform) temperature of the active bath replacing the uniform temperature usually encountered in equilibrium systems. Furthermore, by restricting the dynamical space to the first velocity moments of the local distribution function we derive a hydrodynamic description where local pressure, kinetic temperature and internal heat fluxes appear and are consistent with the previous thermodynamic analysis. The procedure also shows under which conditions one obtains the unified coloured noise approximation (UCNA): such an approximation neglects the fast relaxation to the active bath and therefore yields detailed balance and zero entropy production. In the last part, by using multiple time-scale analysis, we provide a constructive method (alternative to UCNA) to determine the solution of the Kramers equation and go beyond the detailed balance condition determining negative entropy production.

Scaling behaviour of Fisher and Shannon entropies for the exponential-cosine screened coulomb potential

NASA Astrophysics Data System (ADS)

Abdelmonem, M. S.; Abdel-Hady, Afaf; Nasser, I.

2017-07-01

The scaling laws are given for the entropies in the information theory, including the Shannon's entropy, its power, the Fisher's information and the Fisher-Shannon product, using the exponential-cosine screened Coulomb potential. The scaling laws are specified, in the r-space, as a function of |μ - μc, nℓ|, where μ is the screening parameter and μc, nℓ its critical value for the specific quantum numbers n and ℓ. Scaling laws for other physical quantities, such as energy eigenvalues, the moments, static polarisability, transition probabilities, etc. are also given. Some of these are reported for the first time. The outcome is compared with the available literatures' results.

Least action and entropy considerations of self-organization in Benard cells

NASA Astrophysics Data System (ADS)

Georgiev, Georgi; Iannacchione, Germano

We study self-organization in complex systems using first principles in physics. Our approach involves the principle of least action and the second law of thermodynamics. In far from equilibrium systems, energy gradients cause internal ordering to facilitate the dissipation of energy in the environment. This internal ordering decreases their internal entropy in order to obey the principle of least action, minimizing the product of time and energy for transport through the system. We are considering the connection between action and entropy decrease inside Benard cells in order to derive some general features of self-organization. We are developing mathematical treatment of this coupling and comparing it to results from experiments and simulations.

Modeling of groundwater productivity in northeastern Wasit Governorate, Iraq using frequency ratio and Shannon's entropy models

NASA Astrophysics Data System (ADS)

Al-Abadi, Alaa M.

2017-05-01

In recent years, delineation of groundwater productivity zones plays an increasingly important role in sustainable management of groundwater resource throughout the world. In this study, groundwater productivity index of northeastern Wasit Governorate was delineated using probabilistic frequency ratio (FR) and Shannon's entropy models in framework of GIS. Eight factors believed to influence the groundwater occurrence in the study area were selected and used as the input data. These factors were elevation (m), slope angle (degree), geology, soil, aquifer transmissivity (m2/d), storativity (dimensionless), distance to river (m), and distance to faults (m). In the first step, borehole location inventory map consisting of 68 boreholes with relatively high yield (>8 l/sec) was prepared. 47 boreholes (70 %) were used as training data and the remaining 21 (30 %) were used for validation. The predictive capability of each model was determined using relative operating characteristic technique. The results of the analysis indicate that the FR model with a success rate of 87.4 % and prediction rate 86.9 % performed slightly better than Shannon's entropy model with success rate of 84.4 % and prediction rate of 82.4 %. The resultant groundwater productivity index was classified into five classes using natural break classification scheme: very low, low, moderate, high, and very high. The high-very high classes for FR and Shannon's entropy models occurred within 30 % (217 km2) and 31 % (220 km2), respectively indicating low productivity conditions of the aquifer system. From final results, both of the models were capable to prospect GWPI with very good results, but FR was better in terms of success and prediction rates. Results of this study could be helpful for better management of groundwater resources in the study area and give planners and decision makers an opportunity to prepare appropriate groundwater investment plans.

Evaluation index system of steel industry sustainable development based on entropy method and topsis method

NASA Astrophysics Data System (ADS)

Ronglian, Yuan; Mingye, Ai; Qiaona, Jia; Yuxuan, Liu

2018-03-01

Sustainable development is the only way for the development of human society. As an important part of the national economy, the steel industry is an energy-intensive industry and needs to go further for sustainable development. In this paper, we use entropy method and Topsis method to evaluate the development of China’s steel industry during the “12th Five-Year Plan” from four aspects: resource utilization efficiency, main energy and material consumption, pollution status and resource reuse rate. And we also put forward some suggestions for the development of China’s steel industry.

Thermodynamics of Aryl-Dihydroxyphenyl-Thiadiazole Binding to Human Hsp90

PubMed Central

Kazlauskas, Egidijus; Petrikaitė, Vilma; Michailovienė, Vilma; Revuckienė, Jurgita; Matulienė, Jurgita; Grinius, Leonas; Matulis, Daumantas

2012-01-01

The design of specific inhibitors against the Hsp90 chaperone and other enzyme relies on the detailed and correct understanding of both the thermodynamics of inhibitor binding and the structural features of the protein-inhibitor complex. Here we present a detailed thermodynamic study of binding of aryl-dihydroxyphenyl-thiadiazole inhibitor series to recombinant human Hsp90 alpha isozyme. The inhibitors are highly potent, with the intrinsic Kd approximately equal to 1 nM as determined by isothermal titration calorimetry (ITC) and thermal shift assay (TSA). Dissection of protonation contributions yielded the intrinsic thermodynamic parameters of binding, such as enthalpy, entropy, Gibbs free energy, and the heat capacity. The differences in binding thermodynamic parameters between the series of inhibitors revealed contributions of the functional groups, thus providing insight into molecular reasons for improved or diminished binding efficiency. The inhibitor binding to Hsp90 alpha primarily depended on a large favorable enthalpic contribution combined with the smaller favorable entropic contribution, thus suggesting that their binding was both enthalpically and entropically optimized. The enthalpy-entropy compensation phenomenon was highly evident when comparing the inhibitor binding enthalpies and entropies. This study illustrates how detailed thermodynamic analysis helps to understand energetic reasons for the binding efficiency and develop more potent inhibitors that could be applied for therapeutic use as Hsp90 inhibitors. PMID:22655030

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

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Application of exergetic sustainability index to a nano-scale irreversible Brayton cycle operating with ideal Bose and Fermi gasses

NASA Astrophysics Data System (ADS)

Açıkkalp, Emin; Caner, Necmettin

2015-09-01

In this study, a nano-scale irreversible Brayton cycle operating with quantum gasses including Bose and Fermi gasses is researched. Developments in the nano-technology cause searching the nano-scale machines including thermal systems to be unavoidable. Thermodynamic analysis of a nano-scale irreversible Brayton cycle operating with Bose and Fermi gasses was performed (especially using exergetic sustainability index). In addition, thermodynamic analysis involving classical evaluation parameters such as work output, exergy output, entropy generation, energy and exergy efficiencies were conducted. Results are submitted numerically and finally some useful recommendations were conducted. Some important results are: entropy generation and exergetic sustainability index are affected mostly for Bose gas and power output and exergy output are affected mostly for the Fermi gas by x. At the high temperature conditions, work output and entropy generation have high values comparing with other degeneracy conditions.

Mixing entropy in Dean flows

NASA Astrophysics Data System (ADS)

Fodor, Petru; Vyhnalek, Brian; Kaufman, Miron

2013-03-01

We investigate mixing in Dean flows by solving numerically the Navier-Stokes equation for a circular channel. Tracers of two chemical species are carried by the fluid. The centrifugal forces, experienced as the fluid travels along a curved trajectory, coupled with the fluid incompressibility induce cross-sectional rotating flows (Dean vortices). These transversal flows promote the mixing of the chemical species. We generate images for different cross sections along the trajectory. The mixing efficiency is evaluated using the Shannon entropy. Previously we have found, P. S. Fodor and M. Kaufman, Modern Physics Letters B 25, 1111 (2011), this measure to be useful in understanding mixing in the staggered herringbone mixer. The mixing entropy is determined as function of the Reynolds number, the angle of the cross section and the observation scale (number of bins). Quantitative comparison of the mixing in the Dean micromixer and in the staggered herringbone mixer is attempted.

Conflict management based on belief function entropy in sensor fusion.

PubMed

Yuan, Kaijuan; Xiao, Fuyuan; Fei, Liguo; Kang, Bingyi; Deng, Yong

2016-01-01

Wireless sensor network plays an important role in intelligent navigation. It incorporates a group of sensors to overcome the limitation of single detection system. Dempster-Shafer evidence theory can combine the sensor data of the wireless sensor network by data fusion, which contributes to the improvement of accuracy and reliability of the detection system. However, due to different sources of sensors, there may be conflict among the sensor data under uncertain environment. Thus, this paper proposes a new method combining Deng entropy and evidence distance to address the issue. First, Deng entropy is adopted to measure the uncertain information. Then, evidence distance is applied to measure the conflict degree. The new method can cope with conflict effectually and improve the accuracy and reliability of the detection system. An example is illustrated to show the efficiency of the new method and the result is compared with that of the existing methods.

Micro-structured heat exchanger for cryogenic mixed refrigerant cycles

NASA Astrophysics Data System (ADS)

Gomse, D.; Reiner, A.; Rabsch, G.; Gietzelt, T.; Brandner, J. J.; Grohmann, S.

2017-12-01

Mixed refrigerant cycles (MRCs) offer a cost- and energy-efficient cooling method for the temperature range between 80 and 200 K. The performance of MRCs is strongly influenced by entropy production in the main heat exchanger. High efficiencies thus require small temperature gradients among the fluid streams, as well as limited pressure drop and axial conduction. As temperature gradients scale with heat flux, large heat transfer areas are necessary. This is best achieved with micro-structured heat exchangers, where high volumetric heat transfer areas can be realized. The reliable design of MRC heat exchangers is challenging, since two-phase heat transfer and pressure drop in both fluid streams have to be considered simultaneously. Furthermore, only few data on the convective boiling and condensation kinetics of zeotropic mixtures is available in literature. This paper presents a micro-structured heat exchanger designed with a newly developed numerical model, followed by experimental results on the single-phase pressure drop and their implications on the hydraulic diameter.

An integrated condition-monitoring method for a milling process using reduced decomposition features

NASA Astrophysics Data System (ADS)

Liu, Jie; Wu, Bo; Wang, Yan; Hu, Youmin

2017-08-01

Complex and non-stationary cutting chatter affects productivity and quality in the milling process. Developing an effective condition-monitoring approach is critical to accurately identify cutting chatter. In this paper, an integrated condition-monitoring method is proposed, where reduced features are used to efficiently recognize and classify machine states in the milling process. In the proposed method, vibration signals are decomposed into multiple modes with variational mode decomposition, and Shannon power spectral entropy is calculated to extract features from the decomposed signals. Principal component analysis is adopted to reduce feature size and computational cost. With the extracted feature information, the probabilistic neural network model is used to recognize and classify the machine states, including stable, transition, and chatter states. Experimental studies are conducted, and results show that the proposed method can effectively detect cutting chatter during different milling operation conditions. This monitoring method is also efficient enough to satisfy fast machine state recognition and classification.

Periodic thermodynamics of open quantum systems.

PubMed

Brandner, Kay; Seifert, Udo

2016-06-01

The thermodynamics of quantum systems coupled to periodically modulated heat baths and work reservoirs is developed. By identifying affinities and fluxes, the first and the second law are formulated consistently. In the linear response regime, entropy production becomes a quadratic form in the affinities. Specializing to Lindblad dynamics, we identify the corresponding kinetic coefficients in terms of correlation functions of the unperturbed dynamics. Reciprocity relations follow from symmetries with respect to time reversal. The kinetic coefficients can be split into a classical and a quantum contribution subject to an additional constraint, which follows from a natural detailed balance condition. This constraint implies universal bounds on efficiency and power of quantum heat engines. In particular, we show that Carnot efficiency cannot be reached whenever quantum coherence effects are present, i.e., when the Hamiltonian used for work extraction does not commute with the bare system Hamiltonian. For illustration, we specialize our universal results to a driven two-level system in contact with a heat bath of sinusoidally modulated temperature.

Periodic thermodynamics of open quantum systems

NASA Astrophysics Data System (ADS)

Brandner, Kay; Seifert, Udo

2016-06-01

The thermodynamics of quantum systems coupled to periodically modulated heat baths and work reservoirs is developed. By identifying affinities and fluxes, the first and the second law are formulated consistently. In the linear response regime, entropy production becomes a quadratic form in the affinities. Specializing to Lindblad dynamics, we identify the corresponding kinetic coefficients in terms of correlation functions of the unperturbed dynamics. Reciprocity relations follow from symmetries with respect to time reversal. The kinetic coefficients can be split into a classical and a quantum contribution subject to an additional constraint, which follows from a natural detailed balance condition. This constraint implies universal bounds on efficiency and power of quantum heat engines. In particular, we show that Carnot efficiency cannot be reached whenever quantum coherence effects are present, i.e., when the Hamiltonian used for work extraction does not commute with the bare system Hamiltonian. For illustration, we specialize our universal results to a driven two-level system in contact with a heat bath of sinusoidally modulated temperature.

Role of sufficient statistics in stochastic thermodynamics and its implication to sensory adaptation

NASA Astrophysics Data System (ADS)

Matsumoto, Takumi; Sagawa, Takahiro

2018-04-01

A sufficient statistic is a significant concept in statistics, which means a probability variable that has sufficient information required for an inference task. We investigate the roles of sufficient statistics and related quantities in stochastic thermodynamics. Specifically, we prove that for general continuous-time bipartite networks, the existence of a sufficient statistic implies that an informational quantity called the sensory capacity takes the maximum. Since the maximal sensory capacity imposes a constraint that the energetic efficiency cannot exceed one-half, our result implies that the existence of a sufficient statistic is inevitably accompanied by energetic dissipation. We also show that, in a particular parameter region of linear Langevin systems there exists the optimal noise intensity at which the sensory capacity, the information-thermodynamic efficiency, and the total entropy production are optimized at the same time. We apply our general result to a model of sensory adaptation of E. coli and find that the sensory capacity is nearly maximal with experimentally realistic parameters.

Renormalization group approach to symmetry protected topological phases

NASA Astrophysics Data System (ADS)

van Nieuwenburg, Evert P. L.; Schnyder, Andreas P.; Chen, Wei

2018-04-01

A defining feature of a symmetry protected topological phase (SPT) in one dimension is the degeneracy of the Schmidt values for any given bipartition. For the system to go through a topological phase transition separating two SPTs, the Schmidt values must either split or cross at the critical point in order to change their degeneracies. A renormalization group (RG) approach based on this splitting or crossing is proposed, through which we obtain an RG flow that identifies the topological phase transitions in the parameter space. Our approach can be implemented numerically in an efficient manner, for example, using the matrix product state formalism, since only the largest first few Schmidt values need to be calculated with sufficient accuracy. Using several concrete models, we demonstrate that the critical points and fixed points of the RG flow coincide with the maxima and minima of the entanglement entropy, respectively, and the method can serve as a numerically efficient tool to analyze interacting SPTs in the parameter space.

Kinetic Analysis for the Multistep Profiles of Organic Reactions: Significance of the Conformational Entropy on the Rate Constants of the Claisen Rearrangement.

PubMed

Sumiya, Yosuke; Nagahata, Yutaka; Komatsuzaki, Tamiki; Taketsugu, Tetsuya; Maeda, Satoshi

2015-12-03

The significance of kinetic analysis as a tool for understanding the reactivity and selectivity of organic reactions has recently been recognized. However, conventional simulation approaches that solve rate equations numerically are not amenable to multistep reaction profiles consisting of fast and slow elementary steps. Herein, we present an efficient and robust approach for evaluating the overall rate constants of multistep reactions via the recursive contraction of the rate equations to give the overall rate constants for the products and byproducts. This new method was applied to the Claisen rearrangement of allyl vinyl ether, as well as a substituted allyl vinyl ether. Notably, the profiles of these reactions contained 23 and 84 local minima, and 66 and 278 transition states, respectively. The overall rate constant for the Claisen rearrangement of allyl vinyl ether was consistent with the experimental value. The selectivity of the Claisen rearrangement reaction has also been assessed using a substituted allyl vinyl ether. The results of this study showed that the conformational entropy in these flexible chain molecules had a substantial impact on the overall rate constants. This new method could therefore be used to estimate the overall rate constants of various other organic reactions involving flexible molecules.

Efficient reliability analysis of structures with the rotational quasi-symmetric point- and the maximum entropy methods

NASA Astrophysics Data System (ADS)

Xu, Jun; Dang, Chao; Kong, Fan

2017-10-01

This paper presents a new method for efficient structural reliability analysis. In this method, a rotational quasi-symmetric point method (RQ-SPM) is proposed for evaluating the fractional moments of the performance function. Then, the derivation of the performance function's probability density function (PDF) is carried out based on the maximum entropy method in which constraints are specified in terms of fractional moments. In this regard, the probability of failure can be obtained by a simple integral over the performance function's PDF. Six examples, including a finite element-based reliability analysis and a dynamic system with strong nonlinearity, are used to illustrate the efficacy of the proposed method. All the computed results are compared with those by Monte Carlo simulation (MCS). It is found that the proposed method can provide very accurate results with low computational effort.

Systems analysis of a closed loop ECLSS using the ASPEN simulation tool. Thermodynamic efficiency analysis of ECLSS components. M.S. Thesis

NASA Technical Reports Server (NTRS)

Chatterjee, Sharmista

1993-01-01

Our first goal in this project was to perform a systems analysis of a closed loop Environmental Control Life Support System (ECLSS). This pertains to the development of a model of an existing real system from which to assess the state or performance of the existing system. Systems analysis is applied to conceptual models obtained from a system design effort. For our modelling purposes we used a simulator tool called ASPEN (Advanced System for Process Engineering). Our second goal was to evaluate the thermodynamic efficiency of the different components comprising an ECLSS. Use is made of the second law of thermodynamics to determine the amount of irreversibility of energy loss of each component. This will aid design scientists in selecting the components generating the least entropy, as our penultimate goal is to keep the entropy generation of the whole system at a minimum.

A desalination battery.

PubMed

Pasta, Mauro; Wessells, Colin D; Cui, Yi; La Mantia, Fabio

2012-02-08

Water desalination is an important approach to provide fresh water around the world, although its high energy consumption, and thus high cost, call for new, efficient technology. Here, we demonstrate the novel concept of a "desalination battery", which operates by performing cycles in reverse on our previously reported mixing entropy battery. Rather than generating electricity from salinity differences, as in mixing entropy batteries, desalination batteries use an electrical energy input to extract sodium and chloride ions from seawater and to generate fresh water. The desalination battery is comprised by a Na(2-x)Mn(5)O(10) nanorod positive electrode and Ag/AgCl negative electrode. Here, we demonstrate an energy consumption of 0.29 Wh l(-1) for the removal of 25% salt using this novel desalination battery, which is promising when compared to reverse osmosis (~ 0.2 Wh l(-1)), the most efficient technique presently available. © 2012 American Chemical Society

Thermodynamically efficient solar concentrators

NASA Astrophysics Data System (ADS)

Winston, Roland

2012-10-01

Non-imaging Optics is the theory of thermodynamically efficient optics and as such depends more on thermodynamics than on optics. Hence in this paper a condition for the "best" design is proposed based on purely thermodynamic arguments, which we believe has profound consequences for design of thermal and even photovoltaic systems. This new way of looking at the problem of efficient concentration depends on probabilities, the ingredients of entropy and information theory while "optics" in the conventional sense recedes into the background.

Optimized Kernel Entropy Components.

PubMed

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

2017-06-01

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

Efficient Bayesian experimental design for contaminant source identification

NASA Astrophysics Data System (ADS)

Zhang, Jiangjiang; Zeng, Lingzao; Chen, Cheng; Chen, Dingjiang; Wu, Laosheng

2015-01-01

In this study, an efficient full Bayesian approach is developed for the optimal sampling well location design and source parameters identification of groundwater contaminants. An information measure, i.e., the relative entropy, is employed to quantify the information gain from concentration measurements in identifying unknown parameters. In this approach, the sampling locations that give the maximum expected relative entropy are selected as the optimal design. After the sampling locations are determined, a Bayesian approach based on Markov Chain Monte Carlo (MCMC) is used to estimate unknown parameters. In both the design and estimation, the contaminant transport equation is required to be solved many times to evaluate the likelihood. To reduce the computational burden, an interpolation method based on the adaptive sparse grid is utilized to construct a surrogate for the contaminant transport equation. The approximated likelihood can be evaluated directly from the surrogate, which greatly accelerates the design and estimation process. The accuracy and efficiency of our approach are demonstrated through numerical case studies. It is shown that the methods can be used to assist in both single sampling location and monitoring network design for contaminant source identifications in groundwater.

Revisiting the European sovereign bonds with a permutation-information-theory approach

NASA Astrophysics Data System (ADS)

Fernández Bariviera, Aurelio; Zunino, Luciano; Guercio, María Belén; Martinez, Lisana B.; Rosso, Osvaldo A.

2013-12-01

In this paper we study the evolution of the informational efficiency in its weak form for seventeen European sovereign bonds time series. We aim to assess the impact of two specific economic situations in the hypothetical random behavior of these time series: the establishment of a common currency and a wide and deep financial crisis. In order to evaluate the informational efficiency we use permutation quantifiers derived from information theory. Specifically, time series are ranked according to two metrics that measure the intrinsic structure of their correlations: permutation entropy and permutation statistical complexity. These measures provide the rectangular coordinates of the complexity-entropy causality plane; the planar location of the time series in this representation space reveals the degree of informational efficiency. According to our results, the currency union contributed to homogenize the stochastic characteristics of the time series and produced synchronization in the random behavior of them. Additionally, the 2008 financial crisis uncovered differences within the apparently homogeneous European sovereign markets and revealed country-specific characteristics that were partially hidden during the monetary union heyday.

Photon ratchet intermediate band solar cells

NASA Astrophysics Data System (ADS)

Yoshida, M.; Ekins-Daukes, N. J.; Farrell, D. J.; Phillips, C. C.

2012-06-01

In this paper, we propose an innovative concept for solar power conversion—the "photon ratchet" intermediate band solar cell (IBSC)—which may increase the photovoltaic energy conversion efficiency of IBSCs by increasing the lifetime of charge carriers in the intermediate state. The limiting efficiency calculation for this concept shows that the efficiency can be increased by introducing a fast thermal transition of carriers into a non-emissive state. At 1 sun, the introduction of a "ratchet band" results in an increase of efficiency from 46.8% to 48.5%, due to suppression of entropy generation.

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

Ecker, Christian; Grumiller, Daniel; Stanzer, Philipp

In this paper, we study the time evolution of 2-point functions and entanglement entropy in strongly anisotropic, inhomogeneous and time-dependent N = 4 super Yang-Mills theory in the large N and large ’t Hooft coupling limit using AdS/CFT. On the gravity side this amounts to calculating the length of geodesics and area of extremal surfaces in the dynamical background of two colliding gravitational shockwaves, which we do numerically. We discriminate between three classes of initial conditions corresponding to wide, intermediate and narrow shocks, and show that they exhibit different phenomenology with respect to the nonlocal observables that we determine. Ourmore » results permit to use (holographic) entanglement entropy as an order parameter to distinguish between the two phases of the cross-over from the transparency to the full-stopping scenario in dynamical Yang-Mills plasma formation, which is frequently used as a toy model for heavy ion collisions. The time evolution of entanglement entropy allows to discern four regimes: highly efficient initial growth of entanglement, linear growth, (post) collisional drama and late time (polynomial) fall off. Surprisingly, we found that 2-point functions can be sensitive to the geometry inside the black hole apparent horizon, while we did not find such cases for the entanglement entropy.« less

Computational study of configurational and vibrational contributions to the thermodynamics of substitutional alloys: The case of Ni3Al

NASA Astrophysics Data System (ADS)

Michelon, M. F.; Antonelli, A.

2010-03-01

We have developed a methodology to study the thermodynamics of order-disorder transformations in n -component substitutional alloys that combines nonequilibrium methods, which can efficiently compute free energies, with Monte Carlo simulations, in which configurational and vibrational degrees of freedom are simultaneously considered on an equal footing basis. Furthermore, with this methodology one can easily perform simulations in the canonical and in the isobaric-isothermal ensembles, which allow the investigation of the bulk volume effect. We have applied this methodology to calculate configurational and vibrational contributions to the entropy of the Ni3Al alloy as functions of temperature. The simulations show that when the volume of the system is kept constant, the vibrational entropy does not change upon transition while constant-pressure calculations indicate that the volume increase at the order-disorder transition causes a vibrational entropy increase of 0.08kB/atom . This is significant when compared to the configurational entropy increase of 0.27kB/atom . Our calculations also indicate that the inclusion of vibrations reduces in about 30% the order-disorder transition temperature determined solely considering the configurational degrees of freedom.

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.

Confidence intervals and hypothesis testing for the Permutation Entropy with an application to epilepsy

NASA Astrophysics Data System (ADS)

Traversaro, Francisco; O. Redelico, Francisco

2018-04-01

In nonlinear dynamics, and to a lesser extent in other fields, a widely used measure of complexity is the Permutation Entropy. But there is still no known method to determine the accuracy of this measure. There has been little research on the statistical properties of this quantity that characterize time series. The literature describes some resampling methods of quantities used in nonlinear dynamics - as the largest Lyapunov exponent - but these seems to fail. In this contribution, we propose a parametric bootstrap methodology using a symbolic representation of the time series to obtain the distribution of the Permutation Entropy estimator. We perform several time series simulations given by well-known stochastic processes: the 1/fα noise family, and show in each case that the proposed accuracy measure is as efficient as the one obtained by the frequentist approach of repeating the experiment. The complexity of brain electrical activity, measured by the Permutation Entropy, has been extensively used in epilepsy research for detection in dynamical changes in electroencephalogram (EEG) signal with no consideration of the variability of this complexity measure. An application of the parametric bootstrap methodology is used to compare normal and pre-ictal EEG signals.

Computing algebraic transfer entropy and coupling directions via transcripts

NASA Astrophysics Data System (ADS)

Amigó, José M.; Monetti, Roberto; Graff, Beata; Graff, Grzegorz

2016-11-01

Most random processes studied in nonlinear time series analysis take values on sets endowed with a group structure, e.g., the real and rational numbers, and the integers. This fact allows to associate with each pair of group elements a third element, called their transcript, which is defined as the product of the second element in the pair times the first one. The transfer entropy of two such processes is called algebraic transfer entropy. It measures the information transferred between two coupled processes whose values belong to a group. In this paper, we show that, subject to one constraint, the algebraic transfer entropy matches the (in general, conditional) mutual information of certain transcripts with one variable less. This property has interesting practical applications, especially to the analysis of short time series. We also derive weak conditions for the 3-dimensional algebraic transfer entropy to yield the same coupling direction as the corresponding mutual information of transcripts. A related issue concerns the use of mutual information of transcripts to determine coupling directions in cases where the conditions just mentioned are not fulfilled. We checked the latter possibility in the lowest dimensional case with numerical simulations and cardiovascular data, and obtained positive results.

Entropy in Collisionless Self-gravitating Systems

NASA Astrophysics Data System (ADS)

Barnes, Eric; Williams, L.

2010-01-01

Collisionless systems, like simulated dark matter halos or gas-less elliptical galaxies, often times have properties suggesting that a common physical principle controls their evolution. For example, N-body simulations of dark matter halos present nearly scale-free density/velocity-cubed profiles. In an attempt to understand the origins of such relationships, we adopt a thermodynamics approach. While it is well-known that self-gravitating systems do not have physically realizable thermal equilibrium configurations, we are interested in the behavior of entropy as mechanical equilibrium is acheived. We will discuss entropy production in these systems from a kinetic theory point of view. This material is based upon work supported by the National Aeronautics and Space Administration under grant NNX07AG86G issued through the Science Mission Directorate.

The Root Cause of the Overheating Problem

NASA Technical Reports Server (NTRS)

Liou, Meng-Sing

2017-01-01

Previously we identified the receding flow, where two fluid streams recede from each other, as an open numerical problem, because all well-known numerical fluxes give an anomalous temperature rise, thus called the overheating problem. This phenomenon, although presented in several textbooks, and many previous publications, has scarcely been satisfactorily addressed and the root cause of the overheating problem not well understood. We found that this temperature rise was solely connected to entropy rise and proposed to use the method of characteristics to eradicate the problem. However, the root cause of the entropy production was still unclear. In the present study, we identify the cause of this problem: the entropy rise is rooted in the pressure flux in a finite volume formulation and is implanted at the first time step. It is found theoretically inevitable for all existing numerical flux schemes used in the finite volume setting, as confirmed by numerical tests. This difficulty cannot be eliminated by manipulating time step, grid size, spatial accuracy, etc, although the rate of overheating depends on the flux scheme used. Finally, we incorporate the entropy transport equation, in place of the energy equation, to ensure preservation of entropy, thus correcting this temperature anomaly. Its applicability is demonstrated for some relevant 1D and 2D problems. Thus, the present study validates that the entropy generated ab initio is the genesis of the overheating problem.

A Numerical Investigation of the Burnett Equations Based on the Second Law

NASA Technical Reports Server (NTRS)

Comeaux, Keith A.; Chapman, Dean R.; MacCormack, Robert W.; Edwards, Thomas A. (Technical Monitor)

1995-01-01

The Burnett equations have been shown to potentially violate the second law of thermodynamics. The objective of this investigation is to correlate the numerical problems experienced by the Burnett equations to the negative production of entropy. The equations have had a long history of numerical instability to small wavelength disturbances. Recently, Zhong corrected the instability problem and made solutions attainable for one dimensional shock waves and hypersonic blunt bodies. Difficulties still exist when attempting to solve hypersonic flat plate boundary layers and blunt body wake flows, however. Numerical experiments will include one-dimensional shock waves, quasi-one dimensional nozzles, and expanding Prandlt-Meyer flows and specifically examine the entropy production for these cases.

Statistical physics of self-replication.

PubMed

England, Jeremy L

2013-09-28

Self-replication is a capacity common to every species of living thing, and simple physical intuition dictates that such a process must invariably be fueled by the production of entropy. Here, we undertake to make this intuition rigorous and quantitative by deriving a lower bound for the amount of heat that is produced during a process of self-replication in a system coupled to a thermal bath. We find that the minimum value for the physically allowed rate of heat production is determined by the growth rate, internal entropy, and durability of the replicator, and we discuss the implications of this finding for bacterial cell division, as well as for the pre-biotic emergence of self-replicating nucleic acids.

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

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

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

2015-05-15

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

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.

Introduction to Magneto-Fluid-Dynamics for Aerospace Applications

DTIC Science & Technology

2004-07-08

exposure time down to 100 ns. The diagnostic systems were built and tested in the discharge chamber VKI Lecture Series - 5 - 27–30 October 2003 1...thermodynamics VKI Lecture Series - 7 - 27–30 October 2003 2 STOICHIOMETRIC ASPECTS (20; 21; 23; 35; 36; 37) based on the entropy -balance equation is...exploitation of the entropy production and of the VKI Lecture Series - 28 - 27–30 October 2003 9 LINEAR IRREVERSIBLE THERMODYNAMICS second law of

From Ecology to Finance (and Back?): A Review on Entropy-Based Null Models for the Analysis of Bipartite Networks

NASA Astrophysics Data System (ADS)

Straka, Mika J.; Caldarelli, Guido; Squartini, Tiziano; Saracco, Fabio

2018-04-01

Bipartite networks provide an insightful representation of many systems, ranging from mutualistic networks of species interactions to investment networks in finance. The analyses of their topological structures have revealed the ubiquitous presence of properties which seem to characterize many—apparently different—systems. Nestedness, for example, has been observed in biological plant-pollinator as well as in country-product exportation networks. Due to the interdisciplinary character of complex networks, tools developed in one field, for example ecology, can greatly enrich other areas of research, such as economy and finance, and vice versa. With this in mind, we briefly review several entropy-based bipartite null models that have been recently proposed and discuss their application to real-world systems. The focus on these models is motivated by the fact that they show three very desirable features: analytical character, general applicability, and versatility. In this respect, entropy-based methods have been proven to perform satisfactorily both in providing benchmarks for testing evidence-based null hypotheses and in reconstructing unknown network configurations from partial information. Furthermore, entropy-based models have been successfully employed to analyze ecological as well as economic systems. As an example, the application of entropy-based null models has detected early-warning signals, both in economic and financial systems, of the 2007-2008 world crisis. Moreover, they have revealed a statistically-significant export specialization phenomenon of country export baskets in international trade, a result that seems to reconcile Ricardo's hypothesis in classical economics with recent findings on the (empirical) diversification industrial production at the national level. Finally, these null models have shown that the information contained in the nestedness is already accounted for by the degree sequence of the corresponding graphs.

Gauge choices and entanglement entropy of two dimensional lattice gauge fields

NASA Astrophysics Data System (ADS)

Yang, Zhi; Hung, Ling-Yan

2018-03-01

In this paper, we explore the question of how different gauge choices in a gauge theory affect the tensor product structure of the Hilbert space in configuration space. In particular, we study the Coulomb gauge and observe that the naive gauge potential degrees of freedom cease to be local operators as soon as we impose the Dirac brackets. We construct new local set of operators and compute the entanglement entropy according to this algebra in 2 + 1 dimensions. We find that our proposal would lead to an entanglement entropy that behave very similar to a single scalar degree of freedom if we do not include further centers, but approaches that of a gauge field if we include non-trivial centers. We explore also the situation where the gauge field is Higgsed, and construct a local operator algebra that again requires some deformation. This should give us some insight into interpreting the entanglement entropy in generic gauge theories and perhaps also in gravitational theories.

Transonic flow solutions using a composite velocity procedure for potential, Euler and RNS equations

NASA Technical Reports Server (NTRS)

Gordnier, R. E.; Rubin, S. G.

1986-01-01

Solutions for transonic viscous and inviscid flows using a composite velocity procedure are presented. The velocity components of the compressible flow equations are written in terms of a multiplicative composite consisting of a viscous or rotational velocity and an inviscid, irrotational, potential-like function. This provides for an efficient solution procedure that is locally representative of both asymptotic inviscid and boundary layer theories. A modified conservative form of the axial momentum equation that is required to obtain rotational solutions in the inviscid region is presented and a combined conservation/nonconservation form is applied for evaluation of the reduced Navier-Stokes (RNS), Euler and potential equations. A variety of results is presented and the effects of the approximations on entropy production, shock capturing, and viscous interaction are discussed.

Some practical universal noiseless coding techniques

NASA Technical Reports Server (NTRS)

Rice, R. F.

1979-01-01

Some practical adaptive techniques for the efficient noiseless coding of a broad class of such data sources are developed and analyzed. Algorithms are designed for coding discrete memoryless sources which have a known symbol probability ordering but unknown probability values. A general applicability of these algorithms to solving practical problems is obtained because most real data sources can be simply transformed into this form by appropriate preprocessing. These algorithms have exhibited performance only slightly above all entropy values when applied to real data with stationary characteristics over the measurement span. Performance considerably under a measured average data entropy may be observed when data characteristics are changing over the measurement span.

Estimates of the information content and dimensionality of natural scenes from proximity distributions

NASA Astrophysics Data System (ADS)

Chandler, Damon M.; Field, David J.

2007-04-01

Natural scenes, like most all natural data sets, show considerable redundancy. Although many forms of redundancy have been investigated (e.g., pixel distributions, power spectra, contour relationships, etc.), estimates of the true entropy of natural scenes have been largely considered intractable. We describe a technique for estimating the entropy and relative dimensionality of image patches based on a function we call the proximity distribution (a nearest-neighbor technique). The advantage of this function over simple statistics such as the power spectrum is that the proximity distribution is dependent on all forms of redundancy. We demonstrate that this function can be used to estimate the entropy (redundancy) of 3×3 patches of known entropy as well as 8×8 patches of Gaussian white noise, natural scenes, and noise with the same power spectrum as natural scenes. The techniques are based on assumptions regarding the intrinsic dimensionality of the data, and although the estimates depend on an extrapolation model for images larger than 3×3, we argue that this approach provides the best current estimates of the entropy and compressibility of natural-scene patches and that it provides insights into the efficiency of any coding strategy that aims to reduce redundancy. We show that the sample of 8×8 patches of natural scenes used in this study has less than half the entropy of 8×8 white noise and less than 60% of the entropy of noise with the same power spectrum. In addition, given a finite number of samples (<220) drawn randomly from the space of 8×8 patches, the subspace of 8×8 natural-scene patches shows a dimensionality that depends on the sampling density and that for low densities is significantly lower dimensional than the space of 8×8 patches of white noise and noise with the same power spectrum.

Mapping entropy: Analysis of population-environment dynamics using integrated remote sensing and transition theory based on a general systems perspective

NASA Astrophysics Data System (ADS)

de La Sierra, Ruben Ulises

The present study introduces entropy mapping as a comprehensive method to analyze and describe complex interactive systems; and to assess the effect that entropy has in paradigm changes as described by transition theory. Dynamics of interactions among environmental, economic and demographic conditions affect a number of fast growing locations throughout the world. One of the regions especially affected by accelerated growth in terms of demographic and economic development is the border region between Mexico and the US. As the contrast between these countries provides a significant economic and cultural differential, the dynamics of capital, goods, services and people and the rates at which they interact are rather unique. To illustrate the most fundamental economic and political changes affecting the region, a background addressing the causes for these changes leading to the North America Free Trade Agreement (NAFTA) is presented. Although the concept of thermodynamic entropy was first observed in physical sciences, a relevant homology exists in biological, social and economic sciences as the universal tendency towards disorder, dissipation and equilibrium is present in these disciplines when energy or resources become deficient. Furthermore, information theory is expressed as uncertainty and randomness in terms of efficiency in transmission of information. Although entropy in closed systems is unavoidable, its increase in open systems, can be arrested by a flux of energy, resources and/or information. A critical component of all systems is the boundary. If a boundary is impermeable, it will prevent energy flow from the environment into the system; likewise, if the boundary is too porous, it will not be able to prevent the dissipation of energy and resources into the environment, and will not prevent entropy from entering. Therefore, two expressions of entropy--thermodynamic and information--are identified and related to systems in transition and to spatial distribution. These expressions are used to identify causes and trends leading to growth or disorder.

Aeroacoustic and aerodynamic applications of the theory of nonequilibrium thermodynamics

NASA Technical Reports Server (NTRS)

Horne, W. Clifton; Smith, Charles A.; Karamcheti, Krishnamurty

1991-01-01

Recent developments in the field of nonequilibrium thermodynamics associated with viscous flows are examined and related to developments to the understanding of specific phenomena in aerodynamics and aeroacoustics. A key element of the nonequilibrium theory is the principle of minimum entropy production rate for steady dissipative processes near equilibrium, and variational calculus is used to apply this principle to several examples of viscous flow. A review of nonequilibrium thermodynamics and its role in fluid motion are presented. Several formulations are presented of the local entropy production rate and the local energy dissipation rate, two quantities that are of central importance to the theory. These expressions and the principle of minimum entropy production rate for steady viscous flows are used to identify parallel-wall channel flow and irrotational flow as having minimally dissipative velocity distributions. Features of irrotational, steady, viscous flow near an airfoil, such as the effect of trailing-edge radius on circulation, are also found to be compatible with the minimum principle. Finally, the minimum principle is used to interpret the stability of infinitesimal and finite amplitude disturbances in an initially laminar, parallel shear flow, with results that are consistent with experiment and linearized hydrodynamic stability theory. These results suggest that a thermodynamic approach may be useful in unifying the understanding of many diverse phenomena in aerodynamics and aeroacoustics.

Predictions of the causal entropic principle for environmental conditions of the universe

NASA Astrophysics Data System (ADS)

Cline, James M.; Frey, Andrew R.; Holder, Gilbert

2008-03-01

The causal entropic principle has been proposed as an alternative to the anthropic principle for understanding the magnitude of the cosmological constant. In this approach, the probability to create observers is assumed to be proportional to the entropy production ΔS in a maximal causally connected region—the causal diamond. We improve on the original treatment by better quantifying the entropy production due to stars, using an analytic model for the star formation history which accurately accounts for changes in cosmological parameters. We calculate the dependence of ΔS on the density contrast Q=δρ/ρ, and find that our universe is much closer to the most probable value of Q than in the usual anthropic approach and that probabilities are relatively weakly dependent on this amplitude. In addition, we make first estimates of the dependence of ΔS on the baryon fraction and overall matter abundance. Finally, we also explore the possibility that decays of dark matter, suggested by various observed gamma ray excesses, might produce a comparable amount of entropy to stars.

Quantifying Extrinsic Noise in Gene Expression Using the Maximum Entropy Framework

PubMed Central

Dixit, Purushottam D.

2013-01-01

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

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

PubMed

Dixit, Purushottam D

2013-06-18

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

Measures of thermodynamic irreversibility in deterministic and stochastic dynamics

NASA Astrophysics Data System (ADS)

Ford, Ian J.

2015-07-01

It is generally observed that if a dynamical system is sufficiently complex, then as time progresses it will share out energy and other properties amongst its component parts to eliminate any initial imbalances, retaining only fluctuations. This is known as energy dissipation and it is closely associated with the concept of thermodynamic irreversibility, measured by the increase in entropy according to the second law. It is of interest to quantify such behaviour from a dynamical rather than a thermodynamic perspective and to this end stochastic entropy production and the time-integrated dissipation function have been introduced as analogous measures of irreversibility, principally for stochastic and deterministic dynamics, respectively. We seek to compare these measures. First we modify the dissipation function to allow it to measure irreversibility in situations where the initial probability density function (pdf) of the system is asymmetric as well as symmetric in velocity. We propose that it tests for failure of what we call the obversibility of the system, to be contrasted with reversibility, the failure of which is assessed by stochastic entropy production. We note that the essential difference between stochastic entropy production and the time-integrated modified dissipation function lies in the sequence of procedures undertaken in the associated tests of irreversibility. We argue that an assumed symmetry of the initial pdf with respect to velocity inversion (within a framework of deterministic dynamics) can be incompatible with the Past Hypothesis, according to which there should be a statistical distinction between the behaviour of certain properties of an isolated system as it evolves into the far future and the remote past. Imposing symmetry on a velocity distribution is acceptable for many applications of statistical physics, but can introduce difficulties when discussing irreversible behaviour.

Coding For Compression Of Low-Entropy Data

NASA Technical Reports Server (NTRS)

Yeh, Pen-Shu

1994-01-01

Improved method of encoding digital data provides for efficient lossless compression of partially or even mostly redundant data from low-information-content source. Method of coding implemented in relatively simple, high-speed arithmetic and logic circuits. Also increases coding efficiency beyond that of established Huffman coding method in that average number of bits per code symbol can be less than 1, which is the lower bound for Huffman code.

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.

Thermodynamics and computation during collective motion near criticality

NASA Astrophysics Data System (ADS)

Crosato, Emanuele; Spinney, Richard E.; Nigmatullin, Ramil; Lizier, Joseph T.; Prokopenko, Mikhail

2018-01-01

We study self-organization of collective motion as a thermodynamic phenomenon in the context of the first law of thermodynamics. It is expected that the coherent ordered motion typically self-organises in the presence of changes in the (generalized) internal energy and of (generalized) work done on, or extracted from, the system. We aim to explicitly quantify changes in these two quantities in a system of simulated self-propelled particles and contrast them with changes in the system's configuration entropy. In doing so, we adapt a thermodynamic formulation of the curvatures of the internal energy and the work, with respect to two parameters that control the particles' alignment. This allows us to systematically investigate the behavior of the system by varying the two control parameters to drive the system across a kinetic phase transition. Our results identify critical regimes and show that during the phase transition, where the configuration entropy of the system decreases, the rates of change of the work and of the internal energy also decrease, while their curvatures diverge. Importantly, the reduction of entropy achieved through expenditure of work is shown to peak at criticality. We relate this both to a thermodynamic efficiency and the significance of the increased order with respect to a computational path. Additionally, this study provides an information-geometric interpretation of the curvature of the internal energy as the difference between two curvatures: the curvature of the free entropy, captured by the Fisher information, and the curvature of the configuration entropy.

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

PubMed Central

2015-01-01

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

Sensitivity of Tropical Cyclone Spinup Time to the Initial Entropy Deficit

NASA Astrophysics Data System (ADS)

Tang, B.; Corbosiero, K. L.; Rios-Berrios, R.; Alland, J.; Berman, J.

2014-12-01

The development timescale of a tropical cyclone from genesis to the start of rapid intensification in an axisymmetric model is hypothesized to be a function of the initial entropy deficit. We run a set of idealized simulations in which the initial entropy deficit between the boundary layer and free troposphere varies from 0 to 100 J kg-1 K-1. The development timescale is measured by changes in the integrated kinetic energy of the low-level vortex. This timescale is inversely related to the mean mass flux during the tropical cyclone gestation period. The mean mass flux, in turn, is a function of the statistics of convective updrafts and downdrafts. Contour frequency by altitude diagrams show that entrainment of dry air into updrafts is predominately responsible for differences in the mass flux between the experiments, while downdrafts play a secondary role. Analyses of the potential and kinetic energy budgets indicate less efficient conversion of available potential energy to kinetic energy in the experiments with higher entropy deficits. Entrainment leads to the loss of buoyancy and the destruction of available potential energy. In the presence of strong downdrafts, there can even be a reversal of the conversion term. Weaker and more radially confined radial inflow results in less convergence of angular momentum in the experiments with higher entropy deficits. The result is a slower vortex spinup and a reduction in steady-state vortex size, despite similar steady-state maximum intensities among the experiments.

Transition records of stationary Markov chains.

PubMed

Naudts, Jan; Van der Straeten, Erik

2006-10-01

In any Markov chain with finite state space the distribution of transition records always belongs to the exponential family. This observation is used to prove a fluctuation theorem, and to show that the dynamical entropy of a stationary Markov chain is linear in the number of steps. Three applications are discussed. A known result about entropy production is reproduced. A thermodynamic relation is derived for equilibrium systems with Metropolis dynamics. Finally, a link is made with recent results concerning a one-dimensional polymer model.

Relationship between efficiency and predictability in stock price change

NASA Astrophysics Data System (ADS)

Eom, Cheoljun; Oh, Gabjin; Jung, Woo-Sung

2008-09-01

In this study, we evaluate the relationship between efficiency and predictability in the stock market. The efficiency, which is the issue addressed by the weak-form efficient market hypothesis, is calculated using the Hurst exponent and the approximate entropy (ApEn). The predictability corresponds to the hit-rate; this is the rate of consistency between the direction of the actual price change and that of the predicted price change, as calculated via the nearest neighbor prediction method. We determine that the Hurst exponent and the ApEn value are negatively correlated. However, predictability is positively correlated with the Hurst exponent.

Entropy, pumped-storage and energy system finance

NASA Astrophysics Data System (ADS)

Karakatsanis, Georgios

2015-04-01

Pumped-storage holds a key role for integrating renewable energy units with non-renewable fuel plants into large-scale energy systems of electricity output. An emerging issue is the development of financial engineering models with physical basis to systematically fund energy system efficiency improvements across its operation. A fundamental physically-based economic concept is the Scarcity Rent; which concerns the pricing of a natural resource's scarcity. Specifically, the scarcity rent comprises a fraction of a depleting resource's full price and accumulates to fund its more efficient future use. In an integrated energy system, scarcity rents derive from various resources and can be deposited to a pooled fund to finance the energy system's overall efficiency increase; allowing it to benefit from economies of scale. With pumped-storage incorporated to the system, water upgrades to a hub resource, in which the scarcity rents of all connected energy sources are denominated to. However, as available water for electricity generation or storage is also limited, a scarcity rent upon it is also imposed. It is suggested that scarcity rent generation is reducible to three (3) main factors, incorporating uncertainty: (1) water's natural renewability, (2) the energy system's intermittent components and (3) base-load prediction deviations from actual loads. For that purpose, the concept of entropy is used in order to measure the energy system's overall uncertainty; hence pumped-storage intensity requirements and generated water scarcity rents. Keywords: pumped-storage, integration, energy systems, financial engineering, physical basis, Scarcity Rent, pooled fund, economies of scale, hub resource, uncertainty, entropy Acknowledgement: This research was funded by the Greek General Secretariat for Research and Technology through the research project Combined REnewable Systems for Sustainable ENergy DevelOpment (CRESSENDO; grant number 5145)

Steepest entropy ascent model for far-nonequilibrium thermodynamics: Unified implementation of the maximum entropy production principle

NASA Astrophysics Data System (ADS)

Beretta, Gian Paolo

2014-10-01

By suitable reformulations, we cast the mathematical frameworks of several well-known different approaches to the description of nonequilibrium dynamics into a unified formulation valid in all these contexts, which extends to such frameworks the concept of steepest entropy ascent (SEA) dynamics introduced by the present author in previous works on quantum thermodynamics. Actually, the present formulation constitutes a generalization also for the quantum thermodynamics framework. The analysis emphasizes that in the SEA modeling principle a key role is played by the geometrical metric with respect to which to measure the length of a trajectory in state space. In the near-thermodynamic-equilibrium limit, the metric tensor is directly related to the Onsager's generalized resistivity tensor. Therefore, through the identification of a suitable metric field which generalizes the Onsager generalized resistance to the arbitrarily far-nonequilibrium domain, most of the existing theories of nonequilibrium thermodynamics can be cast in such a way that the state exhibits the spontaneous tendency to evolve in state space along the path of SEA compatible with the conservation constraints and the boundary conditions. The resulting unified family of SEA dynamical models is intrinsically and strongly consistent with the second law of thermodynamics. The non-negativity of the entropy production is a general and readily proved feature of SEA dynamics. In several of the different approaches to nonequilibrium description we consider here, the SEA concept has not been investigated before. We believe it defines the precise meaning and the domain of general validity of the so-called maximum entropy production principle. Therefore, it is hoped that the present unifying approach may prove useful in providing a fresh basis for effective, thermodynamically consistent, numerical models and theoretical treatments of irreversible conservative relaxation towards equilibrium from far nonequilibrium states. The mathematical frameworks we consider are the following: (A) statistical or information-theoretic models of relaxation; (B) small-scale and rarefied gas dynamics (i.e., kinetic models for the Boltzmann equation); (C) rational extended thermodynamics, macroscopic nonequilibrium thermodynamics, and chemical kinetics; (D) mesoscopic nonequilibrium thermodynamics, continuum mechanics with fluctuations; and (E) quantum statistical mechanics, quantum thermodynamics, mesoscopic nonequilibrium quantum thermodynamics, and intrinsic quantum thermodynamics.

The relative entropy is fundamental to adaptive resolution simulations

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

Kreis, Karsten; Graduate School Materials Science in Mainz, Staudingerweg 9, 55128 Mainz; Potestio, Raffaello, E-mail: potestio@mpip-mainz.mpg.de

Adaptive resolution techniques are powerful methods for the efficient simulation of soft matter systems in which they simultaneously employ atomistic and coarse-grained (CG) force fields. In such simulations, two regions with different resolutions are coupled with each other via a hybrid transition region, and particles change their description on the fly when crossing this boundary. Here we show that the relative entropy, which provides a fundamental basis for many approaches in systematic coarse-graining, is also an effective instrument for the understanding of adaptive resolution simulation methodologies. We demonstrate that the use of coarse-grained potentials which minimize the relative entropy withmore » respect to the atomistic system can help achieve a smoother transition between the different regions within the adaptive setup. Furthermore, we derive a quantitative relation between the width of the hybrid region and the seamlessness of the coupling. Our results do not only shed light on the what and how of adaptive resolution techniques but will also help setting up such simulations in an optimal manner.« less

Classifying epileptic EEG signals with delay permutation entropy and Multi-Scale K-means.

PubMed

Zhu, Guohun; Li, Yan; Wen, Peng Paul; Wang, Shuaifang

2015-01-01

Most epileptic EEG classification algorithms are supervised and require large training datasets, that hinder their use in real time applications. This chapter proposes an unsupervised Multi-Scale K-means (MSK-means) MSK-means algorithm to distinguish epileptic EEG signals and identify epileptic zones. The random initialization of the K-means algorithm can lead to wrong clusters. Based on the characteristics of EEGs, the MSK-means MSK-means algorithm initializes the coarse-scale centroid of a cluster with a suitable scale factor. In this chapter, the MSK-means algorithm is proved theoretically superior to the K-means algorithm on efficiency. In addition, three classifiers: the K-means, MSK-means MSK-means and support vector machine (SVM), are used to identify seizure and localize epileptogenic zone using delay permutation entropy features. The experimental results demonstrate that identifying seizure with the MSK-means algorithm and delay permutation entropy achieves 4. 7 % higher accuracy than that of K-means, and 0. 7 % higher accuracy than that of the SVM.

Quantum Entanglement and the Topological Order of Fractional Hall States

NASA Astrophysics Data System (ADS)

Rezayi, Edward

2015-03-01

Fractional quantum Hall states or, more generally, topological phases of matter defy Landau classification based on order parameter and broken symmetry. Instead they have been characterized by their topological order. Quantum information concepts, such as quantum entanglement, appear to provide the most efficient method of detecting topological order solely from the knowledge of the ground state wave function. This talk will focus on real-space bi-partitioning of quantum Hall states and will present both exact diagonalization and quantum Monte Carlo studies of topological entanglement entropy in various geometries. Results on the torus for non-contractible cuts are quite rich and, through the use of minimum entropy states, yield the modular S-matrix and hence uniquely determine the topological order, as shown in recent literature. Concrete examples of minimum entropy states from known quantum Hall wave functions and their corresponding quantum numbers, used in exact diagonalizations, will be given. In collaboration with Clare Abreu and Raul Herrera. Supported by DOE Grant DE-SC0002140.

Local statistics adaptive entropy coding method for the improvement of H.26L VLC coding

NASA Astrophysics Data System (ADS)

Yoo, Kook-yeol; Kim, Jong D.; Choi, Byung-Sun; Lee, Yung Lyul

2000-05-01

In this paper, we propose an adaptive entropy coding method to improve the VLC coding efficiency of H.26L TML-1 codec. First of all, we will show that the VLC coding presented in TML-1 does not satisfy the sibling property of entropy coding. Then, we will modify the coding method into the local statistics adaptive one to satisfy the property. The proposed method based on the local symbol statistics dynamically changes the mapping relationship between symbol and bit pattern in the VLC table according to sibling property. Note that the codewords in the VLC table of TML-1 codec is not changed. Since this changed mapping relationship also derived in the decoder side by using the decoded symbols, the proposed VLC coding method does not require any overhead information. The simulation results show that the proposed method gives about 30% and 37% reduction in average bit rate for MB type and CBP information, respectively.

The Cross-Entropy Based Multi-Filter Ensemble Method for Gene Selection.

PubMed

Sun, Yingqiang; Lu, Chengbo; Li, Xiaobo

2018-05-17

The gene expression profile has the characteristics of a high dimension, low sample, and continuous type, and it is a great challenge to use gene expression profile data for the classification of tumor samples. This paper proposes a cross-entropy based multi-filter ensemble (CEMFE) method for microarray data classification. Firstly, multiple filters are used to select the microarray data in order to obtain a plurality of the pre-selected feature subsets with a different classification ability. The top N genes with the highest rank of each subset are integrated so as to form a new data set. Secondly, the cross-entropy algorithm is used to remove the redundant data in the data set. Finally, the wrapper method, which is based on forward feature selection, is used to select the best feature subset. The experimental results show that the proposed method is more efficient than other gene selection methods and that it can achieve a higher classification accuracy under fewer characteristic genes.

On the optimality of a universal noiseless coder

NASA Technical Reports Server (NTRS)

Yeh, Pen-Shu; Rice, Robert F.; Miller, Warner H.

1993-01-01

Rice developed a universal noiseless coding structure that provides efficient performance over an extremely broad range of source entropy. This is accomplished by adaptively selecting the best of several easily implemented variable length coding algorithms. Variations of such noiseless coders have been used in many NASA applications. Custom VLSI coder and decoder modules capable of processing over 50 million samples per second have been fabricated and tested. In this study, the first of the code options used in this module development is shown to be equivalent to a class of Huffman code under the Humblet condition, for source symbol sets having a Laplacian distribution. Except for the default option, other options are shown to be equivalent to the Huffman codes of a modified Laplacian symbol set, at specified symbol entropy values. Simulation results are obtained on actual aerial imagery over a wide entropy range, and they confirm the optimality of the scheme. Comparison with other known techniques are performed on several widely used images and the results further validate the coder's optimality.

The relative entropy is fundamental to adaptive resolution simulations

NASA Astrophysics Data System (ADS)

Kreis, Karsten; Potestio, Raffaello

2016-07-01

Adaptive resolution techniques are powerful methods for the efficient simulation of soft matter systems in which they simultaneously employ atomistic and coarse-grained (CG) force fields. In such simulations, two regions with different resolutions are coupled with each other via a hybrid transition region, and particles change their description on the fly when crossing this boundary. Here we show that the relative entropy, which provides a fundamental basis for many approaches in systematic coarse-graining, is also an effective instrument for the understanding of adaptive resolution simulation methodologies. We demonstrate that the use of coarse-grained potentials which minimize the relative entropy with respect to the atomistic system can help achieve a smoother transition between the different regions within the adaptive setup. Furthermore, we derive a quantitative relation between the width of the hybrid region and the seamlessness of the coupling. Our results do not only shed light on the what and how of adaptive resolution techniques but will also help setting up such simulations in an optimal manner.

Frenetic Bounds on the Entropy Production

NASA Astrophysics Data System (ADS)

Maes, Christian

2017-10-01

We give a systematic derivation of positive lower bounds for the expected entropy production (EP) rate in classical statistical mechanical systems obeying a dynamical large deviation principle. The logic is the same for the return to thermodynamic equilibrium as it is for steady nonequilibria working under the condition of local detailed balance. We recover there recently studied "uncertainty" relations for the EP, appearing in studies about the effectiveness of mesoscopic machines. In general our refinement of the positivity of the expected EP rate is obtained in terms of a positive and even function of the expected current(s) which measures the dynamical activity in the system, a time-symmetric estimate of the changes in the system's configuration. Also underdamped diffusions can be included in the analysis.

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

Introducing sampling entropy in repository based adaptive umbrella sampling

NASA Astrophysics Data System (ADS)

Zheng, Han; Zhang, Yingkai

2009-12-01

Determining free energy surfaces along chosen reaction coordinates is a common and important task in simulating complex systems. Due to the complexity of energy landscapes and the existence of high barriers, one widely pursued objective to develop efficient simulation methods is to achieve uniform sampling among thermodynamic states of interest. In this work, we have demonstrated sampling entropy (SE) as an excellent indicator for uniform sampling as well as for the convergence of free energy simulations. By introducing SE and the concentration theorem into the biasing-potential-updating scheme, we have further improved the adaptivity, robustness, and applicability of our recently developed repository based adaptive umbrella sampling (RBAUS) approach [H. Zheng and Y. Zhang, J. Chem. Phys. 128, 204106 (2008)]. Besides simulations of one dimensional free energy profiles for various systems, the generality and efficiency of this new RBAUS-SE approach have been further demonstrated by determining two dimensional free energy surfaces for the alanine dipeptide in gas phase as well as in water.

Material-based figure of merit for caloric materials

DOE PAGES

Griffith, L. D.; Mudryk, Y.; Slaughter, J.; ...

2018-01-21

Efficient use of reversible thermal effects in magnetocaloric, electrocaloric, and elastocaloric materials is a promising avenue that can lead to a substantially increased efficiency of refrigeration and heat pumping devices, most importantly those used in household and commercial cooling applications near ambient temperature. A proliferation in caloric materials research has resulted in a wide array of materials where only the isothermal change in entropy in response to a handful of different field strengths over a limited range of temperatures has been evaluated and reported. Given the abundance of such data, there is a clear need for a simple and reliablemore » figure of merit enabling fast screening and down-selection to justify further detailed characterization of those materials systems that hold the greatest promise. Based on the analysis of several well-known materials that exhibit vastly different magnetocaloric effects, the Temperature averaged Entropy Change (TEC) is introduced as a suitable early indicator of the material’s utility for magnetocaloric cooling applications, and its adoption by the caloric community is recommended.« less

Material-based figure of merit for caloric materials

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

Griffith, L. D.; Mudryk, Y.; Slaughter, J.

Efficient use of reversible thermal effects in magnetocaloric, electrocaloric, and elastocaloric materials is a promising avenue that can lead to a substantially increased efficiency of refrigeration and heat pumping devices, most importantly those used in household and commercial cooling applications near ambient temperature. A proliferation in caloric materials research has resulted in a wide array of materials where only the isothermal change in entropy in response to a handful of different field strengths over a limited range of temperatures has been evaluated and reported. Given the abundance of such data, there is a clear need for a simple and reliablemore » figure of merit enabling fast screening and down-selection to justify further detailed characterization of those materials systems that hold the greatest promise. Based on the analysis of several well-known materials that exhibit vastly different magnetocaloric effects, the Temperature averaged Entropy Change (TEC) is introduced as a suitable early indicator of the material’s utility for magnetocaloric cooling applications, and its adoption by the caloric community is recommended.« less

Using maximum entropy modeling for optimal selection of sampling sites for monitoring networks

USGS Publications Warehouse

Stohlgren, Thomas J.; Kumar, Sunil; Barnett, David T.; Evangelista, Paul H.

2011-01-01

Environmental monitoring programs must efficiently describe state shifts. We propose using maximum entropy modeling to select dissimilar sampling sites to capture environmental variability at low cost, and demonstrate a specific application: sample site selection for the Central Plains domain (453,490 km2) of the National Ecological Observatory Network (NEON). We relied on four environmental factors: mean annual temperature and precipitation, elevation, and vegetation type. A “sample site” was defined as a 20 km × 20 km area (equal to NEON’s airborne observation platform [AOP] footprint), within which each 1 km2 cell was evaluated for each environmental factor. After each model run, the most environmentally dissimilar site was selected from all potential sample sites. The iterative selection of eight sites captured approximately 80% of the environmental envelope of the domain, an improvement over stratified random sampling and simple random designs for sample site selection. This approach can be widely used for cost-efficient selection of survey and monitoring sites.

Thermalizing Sterile Neutrino Dark Matter

NASA Astrophysics Data System (ADS)

Hansen, Rasmus S. L.; Vogl, Stefan

2017-12-01

Sterile neutrinos produced through oscillations are a well motivated dark matter candidate, but recent constraints from observations have ruled out most of the parameter space. We analyze the impact of new interactions on the evolution of keV sterile neutrino dark matter in the early Universe. Based on general considerations we find a mechanism which thermalizes the sterile neutrinos after an initial production by oscillations. The thermalization of sterile neutrinos is accompanied by dark entropy production which increases the yield of dark matter and leads to a lower characteristic momentum. This resolves the growing tensions with structure formation and x-ray observations and even revives simple nonresonant production as a viable way to produce sterile neutrino dark matter. We investigate the parameters required for the realization of the thermalization mechanism in a representative model and find that a simple estimate based on energy and entropy conservation describes the mechanism well.

Thermalizing Sterile Neutrino Dark Matter.

PubMed

Hansen, Rasmus S L; Vogl, Stefan

2017-12-22

Sterile neutrinos produced through oscillations are a well motivated dark matter candidate, but recent constraints from observations have ruled out most of the parameter space. We analyze the impact of new interactions on the evolution of keV sterile neutrino dark matter in the early Universe. Based on general considerations we find a mechanism which thermalizes the sterile neutrinos after an initial production by oscillations. The thermalization of sterile neutrinos is accompanied by dark entropy production which increases the yield of dark matter and leads to a lower characteristic momentum. This resolves the growing tensions with structure formation and x-ray observations and even revives simple nonresonant production as a viable way to produce sterile neutrino dark matter. We investigate the parameters required for the realization of the thermalization mechanism in a representative model and find that a simple estimate based on energy and entropy conservation describes the mechanism well.

Exploring nonlocal observables in shock wave collisions

DOE PAGES

Ecker, Christian; Grumiller, Daniel; Stanzer, Philipp; ...

2016-11-09

In this paper, we study the time evolution of 2-point functions and entanglement entropy in strongly anisotropic, inhomogeneous and time-dependent N = 4 super Yang-Mills theory in the large N and large ’t Hooft coupling limit using AdS/CFT. On the gravity side this amounts to calculating the length of geodesics and area of extremal surfaces in the dynamical background of two colliding gravitational shockwaves, which we do numerically. We discriminate between three classes of initial conditions corresponding to wide, intermediate and narrow shocks, and show that they exhibit different phenomenology with respect to the nonlocal observables that we determine. Ourmore » results permit to use (holographic) entanglement entropy as an order parameter to distinguish between the two phases of the cross-over from the transparency to the full-stopping scenario in dynamical Yang-Mills plasma formation, which is frequently used as a toy model for heavy ion collisions. The time evolution of entanglement entropy allows to discern four regimes: highly efficient initial growth of entanglement, linear growth, (post) collisional drama and late time (polynomial) fall off. Surprisingly, we found that 2-point functions can be sensitive to the geometry inside the black hole apparent horizon, while we did not find such cases for the entanglement entropy.« less

Thermodynamics of an ideal generalized gas: II. Means of order alpha.

PubMed

Lavenda, B H

2005-11-01

The property that power means are monotonically increasing functions of their order is shown to be the basis of the second laws not only for processes involving heat conduction, but also for processes involving deformations. This generalizes earlier work involving only pure heat conduction and underlines the incomparability of the internal energy and adiabatic potentials when expressed as powers of the adiabatic variable. In an L-potential equilibration, the final state will be one of maximum entropy, whereas in an entropy equilibration, the final state will be one of minimum L. Unlike classical equilibrium thermodynamic phase space, which lacks an intrinsic metric structure insofar as distances and other geometrical concepts do not have an intrinsic thermodynamic significance in such spaces, a metric space can be constructed for the power means: the distance between means of different order is related to the Carnot efficiency. In the ideal classical gas limit, the average change in the entropy is shown to be proportional to the difference between the Shannon and Rényi entropies for nonextensive systems that are multifractal in nature. The L potential, like the internal energy, is a Schur convex function of the empirical temperature, which satisfies Jensen's inequality, and serves as a measure of the tendency to uniformity in processes involving pure thermal conduction.

Multi-Scale Low-Entropy Method for Optimizing the Processing Parameters during Automated Fiber Placement

PubMed Central

Han, Zhenyu; Sun, Shouzheng; Fu, Hongya; Fu, Yunzhong

2017-01-01

Automated fiber placement (AFP) process includes a variety of energy forms and multi-scale effects. This contribution proposes a novel multi-scale low-entropy method aiming at optimizing processing parameters in an AFP process, where multi-scale effect, energy consumption, energy utilization efficiency and mechanical properties of micro-system could be taken into account synthetically. Taking a carbon fiber/epoxy prepreg as an example, mechanical properties of macro–meso–scale are obtained by Finite Element Method (FEM). A multi-scale energy transfer model is then established to input the macroscopic results into the microscopic system as its boundary condition, which can communicate with different scales. Furthermore, microscopic characteristics, mainly micro-scale adsorption energy, diffusion coefficient entropy–enthalpy values, are calculated under different processing parameters based on molecular dynamics method. Low-entropy region is then obtained in terms of the interrelation among entropy–enthalpy values, microscopic mechanical properties (interface adsorbability and matrix fluidity) and processing parameters to guarantee better fluidity, stronger adsorption, lower energy consumption and higher energy quality collaboratively. Finally, nine groups of experiments are carried out to verify the validity of the simulation results. The results show that the low-entropy optimization method can reduce void content effectively, and further improve the mechanical properties of laminates. PMID:28869520

Holographic calculation for large interval Rényi entropy at high temperature

NASA Astrophysics Data System (ADS)

Chen, Bin; Wu, Jie-qiang

2015-11-01

In this paper, we study the holographic Rényi entropy of a large interval on a circle at high temperature for the two-dimensional conformal field theory (CFT) dual to pure AdS3 gravity. In the field theory, the Rényi entropy is encoded in the CFT partition function on n -sheeted torus connected with each other by a large branch cut. As proposed by Chen and Wu [Large interval limit of Rényi entropy at high temperature, arXiv:1412.0763], the effective way to read the entropy in the large interval limit is to insert a complete set of state bases of the twist sector at the branch cut. Then the calculation transforms into an expansion of four-point functions in the twist sector with respect to e-2/π T R n . By using the operator product expansion of the twist operators at the branch points, we read the first few terms of the Rényi entropy, including the leading and next-to-leading contributions in the large central charge limit. Moreover, we show that the leading contribution is actually captured by the twist vacuum module. In this case by the Ward identity the four-point functions can be derived from the correlation function of four twist operators, which is related to double interval entanglement entropy. Holographically, we apply the recipe in [T. Faulkner, The entanglement Rényi entropies of disjoint intervals in AdS/CFT, arXiv:1303.7221] and [T. Barrella et al., Holographic entanglement beyond classical gravity, J. High Energy Phys. 09 (2013) 109] to compute the classical Rényi entropy and its one-loop quantum correction, after imposing a new set of monodromy conditions. The holographic classical result matches exactly with the leading contribution in the field theory up to e-4 π T R and l6, while the holographical one-loop contribution is in exact agreement with next-to-leading results in field theory up to e-6/π T R n and l4 as well.

High-entropy alloys in hexagonal close-packed structure

DOE PAGES

Gao, Michael C.; Zhang, B.; Guo, S. M.; ...

2015-08-28

The microstructures and properties of high-entropy alloys (HEAs) based on the face-centered cubic and body-centered cubic structures have been studied extensively in the literature, but reports on HEAs in the hexagonal close-packed (HCP) structure are very limited. Using an efficient strategy in combining phase diagram inspection, CALPHAD modeling, and ab initio molecular dynamics simulations, a variety of new compositions are suggested that may hold great potentials in forming single-phase HCP HEAs that comprise rare earth elements and transition metals, respectively. Lastly, experimental verification was carried out on CoFeReRu and CoReRuV using X-ray diffraction, scanning electron microscopy, and energy dispersion spectroscopy.

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

NASA Astrophysics Data System (ADS)

Obuchi, Tomoyuki; Monasson, Rémi

2015-09-01

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

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.

Exact Theory of Compressible Fluid Turbulence

NASA Astrophysics Data System (ADS)

Drivas, Theodore; Eyink, Gregory

2017-11-01

We obtain exact results for compressible turbulence with any equation of state, using coarse-graining/filtering. We find two mechanisms of turbulent kinetic energy dissipation: scale-local energy cascade and ``pressure-work defect'', or pressure-work at viscous scales exceeding that in the inertial-range. Planar shocks in an ideal gas dissipate all kinetic energy by pressure-work defect, but the effect is omitted by standard LES modeling of pressure-dilatation. We also obtain a novel inverse cascade of thermodynamic entropy, injected by microscopic entropy production, cascaded upscale, and removed by large-scale cooling. This nonlinear process is missed by the Kovasznay linear mode decomposition, treating entropy as a passive scalar. For small Mach number we recover the incompressible ``negentropy cascade'' predicted by Obukhov. We derive exact Kolmogorov 4/5th-type laws for energy and entropy cascades, constraining scaling exponents of velocity, density, and internal energy to sub-Kolmogorov values. Although precise exponents and detailed physics are Mach-dependent, our exact results hold at all Mach numbers. Flow realizations at infinite Reynolds are ``dissipative weak solutions'' of compressible Euler equations, similarly as Onsager proposed for incompressible turbulence.

Three-Level Systems as Amplifiers and Attenuators: A Thermodynamic Analysis

NASA Astrophysics Data System (ADS)

Boukobza, E.; Tannor, D. J.

2007-06-01

Thermodynamics of a three-level maser was studied in the pioneering work of Scovil Schulz-DuBois [Phys. Rev. Lett. 2, 262 (1959)PRLTAO0031-900710.1103/PhysRevLett.2.262]. In this Letter we consider the same three-level model, but we give a full thermodynamic analysis based on Hamiltonian and dissipative Lindblad superoperators. The first law of thermodynamics is obtained using a recently developed alternative [Phys. Rev. A 74, 063823 (2006)PLRAAN1050-294710.1103/PhysRevA.74.063823] to Alicki’s definitions for heat flux and power [J. Phys. AJPHAC50305-4470 12, L103 (1979)10.1088/0305-4470/12/5/007]. Using a novel variation on Spohn’s entropy production function [J. Math. Phys. (N.Y.)JMAPAQ0022-2488 19, 1227 (1978)10.1063/1.523789], we obtain Carnot’s efficiency inequality and the Scovil Schulz-DuBois maser efficiency formula when the three-level system is operated as a heat engine (amplifier). Finally, we show that the three-level system has two other modes of operation—a refrigerator mode and a squanderer mode —both of which attenuate the electric field.

Rogue waves in terms of multi-point statistics and nonequilibrium thermodynamics

NASA Astrophysics Data System (ADS)

Hadjihosseini, Ali; Lind, Pedro; Mori, Nobuhito; Hoffmann, Norbert P.; Peinke, Joachim

2017-04-01

Ocean waves, which lead to rogue waves, are investigated on the background of complex systems. In contrast to deterministic approaches based on the nonlinear Schroedinger equation or focusing effects, we analyze this system in terms of a noisy stochastic system. In particular we present a statistical method that maps the complexity of multi-point data into the statistics of hierarchically ordered height increments for different time scales. We show that the stochastic cascade process with Markov properties is governed by a Fokker-Planck equation. Conditional probabilities as well as the Fokker-Planck equation itself can be estimated directly from the available observational data. This stochastic description enables us to show several new aspects of wave states. Surrogate data sets can in turn be generated allowing to work out different statistical features of the complex sea state in general and extreme rogue wave events in particular. The results also open up new perspectives for forecasting the occurrence probability of extreme rogue wave events, and even for forecasting the occurrence of individual rogue waves based on precursory dynamics. As a new outlook the ocean wave states will be considered in terms of nonequilibrium thermodynamics, for which the entropy production of different wave heights will be considered. We show evidence that rogue waves are characterized by negative entropy production. The statistics of the entropy production can be used to distinguish different wave states.

Nonlinear inhomogeneous Fokker-Planck equations: Entropy and free-energy time evolution.

PubMed

Sicuro, Gabriele; Rapčan, Peter; Tsallis, Constantino

2016-12-01

We extend a recently introduced free-energy formalism for homogeneous Fokker-Planck equations to a wide, and physically appealing, class of inhomogeneous nonlinear Fokker-Planck equations. In our approach, the free-energy functional is expressed in terms of an entropic functional and an auxiliary potential, both derived from the coefficients of the equation. With reference to the introduced entropic functional, we discuss the entropy production in a relaxation process towards equilibrium. The properties of the stationary solutions of the considered Fokker-Planck equations are also discussed.

Entropy Production during Fatigue as a Criterion for Failure. The Critical Entropy Threshold: A Mathematical Model for Fatigue.

DTIC Science & Technology

1983-08-15

Measurement of Material Damping," Experimental Mechanics, 297-302 (Aug 1977). 4. Feltner, C. E., and J. D. Morrow, " Microplastic Strain Hysteresis Energy as...Code OOKB, CP5, Room 606 Washington, DC 20360 Mr. Richard R. Graham, II Code 5243, Bldg. NC4 Naval Sea Systems Command "* Washington, DC 20362 Mr. Al...Harbage, Jr. Code 2723 DTNSRDC Annapolis, MD 21402 L’r. Martih Kandl Code 5231 Naval Sea Systems Command *i Washington, DC 20362 S. Karpe David W

Black hole entropy and Lorentz-diffeomorphism Noether charge

NASA Astrophysics Data System (ADS)

Jacobson, Ted; Mohd, Arif

2015-12-01

We show that, in the first or second order orthonormal frame formalism, black hole entropy is the horizon Noether charge for a combination of diffeomorphism and local Lorentz symmetry involving the Lie derivative of the frame. The Noether charge for diffeomorphisms alone is unsuitable, since a regular frame cannot be invariant under the flow of the Killing field at the bifurcation surface. We apply this formalism to Lagrangians polynomial in wedge products of the frame field 1-form and curvature 2-form, including general relativity, Lovelock gravity, and "topological" terms in four dimensions.

How plasmas dissipate: cascade and the production of internal energy and entropy in weakly collisional plasma turbulence

NASA Astrophysics Data System (ADS)

Matthaeus, W. H.; Yang, Y.; Servidio, S.; Parashar, T.; Chasapis, A.; Roytershteyn, V.

2017-12-01

Turbulence cascade transfers energy from large scale to small scale but what happens once kinetic scales are reached? In a collisional medium, viscosity and resistivity remove fluctuation energy in favor of heat. In the weakly collisional solar wind, (or corona, m-sheath, etc.), the sequence of events must be different. Heating occurs, but through what mechanisms? In standard approaches, dissipation occurs though linear wave modes or instabilities and one seeks to identify them. A complementary view is that cascade leads to several channels of energy conversion, interchange and spatial rearrangement that collectively leads to production of internal energy. Channels may be described using compressible MHD & multispecies Vlasov Maxwell formulations. Key steps are: Conservative rearrangement of energy in space; Parallel incompressible and compressible cascades - conservative rearrangment in scale; electromagnetic work on particles that drives flows, both macroscopic and microscopic; and pressure-stress interactions, both compressive and shear-like, that produces internal energy. Examples given from MHD, PIC simulations and MMS observations. A more subtle issue is how entropy is related to this degeneration (or, "dissipation") of macroscopic, fluid-scale fluctuations. We discuss this in terms of Boltzmann and thermodynamic entropies, and velocity space effects of collisions.

Propensity approach to nonequilibrium thermodynamics of a chemical reaction network: Controlling single E-coli β-galactosidase enzyme catalysis through the elementary reaction stepsa)

NASA Astrophysics Data System (ADS)

Das, Biswajit; Banerjee, Kinshuk; Gangopadhyay, Gautam

2013-12-01

In this work, we develop an approach to nonequilibrium thermodynamics of an open chemical reaction network in terms of the elementary reaction propensities. The method is akin to the microscopic formulation of the dissipation function in terms of the Kullback-Leibler distance of phase space trajectories in Hamiltonian system. The formalism is applied to a single oligomeric enzyme kinetics at chemiostatic condition that leads the reaction system to a nonequilibrium steady state, characterized by a positive total entropy production rate. Analytical expressions are derived, relating the individual reaction contributions towards the total entropy production rate with experimentally measurable reaction velocity. Taking a real case of Escherichia coli β-galactosidase enzyme obeying Michaelis-Menten kinetics, we thoroughly analyze the temporal as well as the steady state behavior of various thermodynamic quantities for each elementary reaction. This gives a useful insight in the relative magnitudes of various energy terms and the dissipated heat to sustain a steady state of the reaction system operating far-from-equilibrium. It is also observed that, the reaction is entropy-driven at low substrate concentration and becomes energy-driven as the substrate concentration rises.

Maximum efficiency of ideal heat engines based on a small system: correction to the Carnot efficiency at the nanoscale.

PubMed

Quan, H T

2014-06-01

We study the maximum efficiency of a heat engine based on a small system. It is revealed that due to the finiteness of the system, irreversibility may arise when the working substance contacts with a heat reservoir. As a result, there is a working-substance-dependent correction to the Carnot efficiency. We derive a general and simple expression for the maximum efficiency of a Carnot cycle heat engine in terms of the relative entropy. This maximum efficiency approaches the Carnot efficiency asymptotically when the size of the working substance increases to the thermodynamic limit. Our study extends Carnot's result of the maximum efficiency to an arbitrary working substance and elucidates the subtlety of thermodynamic laws in small systems.

Normal Mode Analysis in Zeolites: Toward an Efficient Calculation of Adsorption Entropies.

PubMed

De Moor, Bart A; Ghysels, An; Reyniers, Marie-Françoise; Van Speybroeck, Veronique; Waroquier, Michel; Marin, Guy B

2011-04-12

An efficient procedure for normal-mode analysis of extended systems, such as zeolites, is developed and illustrated for the physisorption and chemisorption of n-octane and isobutene in H-ZSM-22 and H-FAU using periodic DFT calculations employing the Vienna Ab Initio Simulation Package. Physisorption and chemisorption entropies resulting from partial Hessian vibrational analysis (PHVA) differ at most 10 J mol(-1) K(-1) from those resulting from full Hessian vibrational analysis, even for PHVA schemes in which only a very limited number of atoms are considered free. To acquire a well-conditioned Hessian, much tighter optimization criteria than commonly used for electronic energy calculations in zeolites are required, i.e., at least an energy cutoff of 400 eV, maximum force of 0.02 eV/Å, and self-consistent field loop convergence criteria of 10(-8) eV. For loosely bonded complexes the mobile adsorbate method is applied, in which frequency contributions originating from translational or rotational motions of the adsorbate are removed from the total partition function and replaced by free translational and/or rotational contributions. The frequencies corresponding with these translational and rotational modes can be selected unambiguously based on a mobile block Hessian-PHVA calculation, allowing the prediction of physisorption entropies within an accuracy of 10-15 J mol(-1) K(-1) as compared to experimental values. The approach presented in this study is useful for studies on other extended catalytic systems.

Large deviation analysis of a simple information engine

NASA Astrophysics Data System (ADS)

Maitland, Michael; Grosskinsky, Stefan; Harris, Rosemary J.

2015-11-01

Information thermodynamics provides a framework for studying the effect of feedback loops on entropy production. It has enabled the understanding of novel thermodynamic systems such as the information engine, which can be seen as a modern version of "Maxwell's Dæmon," whereby a feedback controller processes information gained by measurements in order to extract work. Here, we analyze a simple model of such an engine that uses feedback control based on measurements to obtain negative entropy production. We focus on the distribution and fluctuations of the information obtained by the feedback controller. Significantly, our model allows an analytic treatment for a two-state system with exact calculation of the large deviation rate function. These results suggest an approximate technique for larger systems, which is corroborated by simulation data.

Bilayer graphene phonovoltaic-FET: In situ phonon recycling

NASA Astrophysics Data System (ADS)

Melnick, Corey; Kaviany, Massoud

2017-11-01

A new heat harvester, the phonovoltaic (pV) cell, was recently proposed. The device converts optical phonons into power before they become heat. Due to the low entropy of a typical hot optical phonon population, the phonovoltaic can operate at high fractions of the Carnot limit and harvest heat more efficiently than conventional heat harvesting technologies such as the thermoelectric generator. Previously, the optical phonon source was presumed to produce optical phonons with a single polarization and momentum. Here, we examine a realistic optical phonon source in a potential pV application and the effects this has on pV operation. Supplementing this work is our investigation of bilayer graphene as a new pV material. Our ab initio calculations show that bilayer graphene has a figure of merit exceeding 0.9, well above previously investigated materials. This allows a room-temperature pV to recycle 65% of a highly nonequilibrium, minimum entropy population of phonons. However, full-band Monte Carlo simulations of the electron and phonon dynamics in a bilayer graphene field-effect transistor (FET) show that the optical phonons emitted by field-accelerated electrons can only be recycled in situ with an efficiency of 50%, and this efficiency falls as the field strength grows. Still, an appropriately designed FET-pV can recycle the phonons produced therein in situ with a much higher efficiency than a thermoelectric generator can harvest heat produced by a FET ex situ.

Monitoring sleepiness with on-board electrophysiological recordings for preventing sleep-deprived traffic accidents.

PubMed

Papadelis, Christos; Chen, Zhe; Kourtidou-Papadeli, Chrysoula; Bamidis, Panagiotis D; Chouvarda, Ioanna; Bekiaris, Evangelos; Maglaveras, Nikos

2007-09-01

The objective of this study is the development and evaluation of efficient neurophysiological signal statistics, which may assess the driver's alertness level and serve as potential indicators of sleepiness in the design of an on-board countermeasure system. Multichannel EEG, EOG, EMG, and ECG were recorded from sleep-deprived subjects exposed to real field driving conditions. A number of severe driving errors occurred during the experiments. The analysis was performed in two main dimensions: the macroscopic analysis that estimates the on-going temporal evolution of physiological measurements during the driving task, and the microscopic event analysis that focuses on the physiological measurements' alterations just before, during, and after the driving errors. Two independent neurophysiologists visually interpreted the measurements. The EEG data were analyzed by using both linear and non-linear analysis tools. We observed the occurrence of brief paroxysmal bursts of alpha activity and an increased synchrony among EEG channels before the driving errors. The alpha relative band ratio (RBR) significantly increased, and the Cross Approximate Entropy that quantifies the synchrony among channels also significantly decreased before the driving errors. Quantitative EEG analysis revealed significant variations of RBR by driving time in the frequency bands of delta, alpha, beta, and gamma. Most of the estimated EEG statistics, such as the Shannon Entropy, Kullback-Leibler Entropy, Coherence, and Cross-Approximate Entropy, were significantly affected by driving time. We also observed an alteration of eyes blinking duration by increased driving time and a significant increase of eye blinks' number and duration before driving errors. EEG and EOG are promising neurophysiological indicators of driver sleepiness and have the potential of monitoring sleepiness in occupational settings incorporated in a sleepiness countermeasure device. The occurrence of brief paroxysmal bursts of alpha activity before severe driving errors is described in detail for the first time. Clear evidence is presented that eye-blinking statistics are sensitive to the driver's sleepiness and should be considered in the design of an efficient and driver-friendly sleepiness detection countermeasure device.

Is Water at the Graphite Interface Vapor-like or Ice-like?

PubMed

Qiu, Yuqing; Lupi, Laura; Molinero, Valeria

2018-04-05

Graphitic surfaces are the main component of soot, a major constituent of atmospheric aerosols. Experiments indicate that soots of different origins display a wide range of abilities to heterogeneously nucleate ice. The ability of pure graphite to nucleate ice in experiments, however, seems to be almost negligible. Nevertheless, molecular simulations with the monatomic water model mW with water-carbon interactions parameterized to reproduce the experimental contact angle of water on graphite predict that pure graphite nucleates ice. According to classical nucleation theory, the ability of a surface to nucleate ice is controlled by the binding free energy between ice immersed in liquid water and the surface. To establish whether the discrepancy in freezing efficiencies of graphite in mW simulations and experiments arises from the coarse resolution of the model or can be fixed by reparameterization, it is important to elucidate the contributions of the water-graphite, water-ice, and ice-water interfaces to the free energy, enthalpy, and entropy of binding for both water and the model. Here we use thermodynamic analysis and free energy calculations to determine these interfacial properties. We demonstrate that liquid water at the graphite interface is not ice-like or vapor-like: it has similar free energy, entropy, and enthalpy as water in the bulk. The thermodynamics of the water-graphite interface is well reproduced by the mW model. We find that the entropy of binding between graphite and ice is positive and dominated, in both experiments and simulations, by the favorable entropy of reducing the ice-water interface. Our analysis indicates that the discrepancy in freezing efficiencies of graphite in experiments and the simulations with mW arises from the inability of the model to simultaneously reproduce the contact angle of liquid water on graphite and the free energy of the ice-graphite interface. This transferability issue is intrinsic to the resolution of the model, and arises from its lack of rotational degrees of freedom.

Mutual Information Item Selection in Adaptive Classification Testing

ERIC Educational Resources Information Center

Weissman, Alexander

2007-01-01

A general approach for item selection in adaptive multiple-category classification tests is provided. The approach uses mutual information (MI), a special case of the Kullback-Leibler distance, or relative entropy. MI works efficiently with the sequential probability ratio test and alleviates the difficulties encountered with using other local-…

Entropy dynamics in cone production of longleaf pine forests in the southeastern United States

Treesearch

Xiongwen Chen; Dale G. Brockway; Qinfeng Guo

2016-01-01

Sporadic temporal patterns of seed production are a challenge for the regeneration and restoration of longleaf pine, which is a keystone component of an endangered ecosystem in the southeastern United States. In this study, long-term data for longleaf pine cone production, collected at six sites across the southeastern region, was examined from the perspective of...

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

PubMed Central

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

2012-01-01

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

Approximate reversibility in the context of entropy gain, information gain, and complete positivity

NASA Astrophysics Data System (ADS)

Buscemi, Francesco; Das, Siddhartha; Wilde, Mark M.

2016-06-01

There are several inequalities in physics which limit how well we can process physical systems to achieve some intended goal, including the second law of thermodynamics, entropy bounds in quantum information theory, and the uncertainty principle of quantum mechanics. Recent results provide physically meaningful enhancements of these limiting statements, determining how well one can attempt to reverse an irreversible process. In this paper, we apply and extend these results to give strong enhancements to several entropy inequalities, having to do with entropy gain, information gain, entropic disturbance, and complete positivity of open quantum systems dynamics. Our first result is a remainder term for the entropy gain of a quantum channel. This result implies that a small increase in entropy under the action of a subunital channel is a witness to the fact that the channel's adjoint can be used as a recovery map to undo the action of the original channel. We apply this result to pure-loss, quantum-limited amplifier, and phase-insensitive quantum Gaussian channels, showing how a quantum-limited amplifier can serve as a recovery from a pure-loss channel and vice versa. Our second result regards the information gain of a quantum measurement, both without and with quantum side information. We find here that a small information gain implies that it is possible to undo the action of the original measurement if it is efficient. The result also has operational ramifications for the information-theoretic tasks known as measurement compression without and with quantum side information. Our third result shows that the loss of Holevo information caused by the action of a noisy channel on an input ensemble of quantum states is small if and only if the noise can be approximately corrected on average. We finally establish that the reduced dynamics of a system-environment interaction are approximately completely positive and trace preserving if and only if the data processing inequality holds approximately.

Information-theoretic CAD system in mammography: Entropy-based indexing for computational efficiency and robust performance

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

Tourassi, Georgia D.; Harrawood, Brian; Singh, Swatee

2007-08-15

We have previously presented a knowledge-based computer-assisted detection (KB-CADe) system for the detection of mammographic masses. The system is designed to compare a query mammographic region with mammographic templates of known ground truth. The templates are stored in an adaptive knowledge database. Image similarity is assessed with information theoretic measures (e.g., mutual information) derived directly from the image histograms. A previous study suggested that the diagnostic performance of the system steadily improves as the knowledge database is initially enriched with more templates. However, as the database increases in size, an exhaustive comparison of the query case with each stored templatemore » becomes computationally burdensome. Furthermore, blind storing of new templates may result in redundancies that do not necessarily improve diagnostic performance. To address these concerns we investigated an entropy-based indexing scheme for improving the speed of analysis and for satisfying database storage restrictions without compromising the overall diagnostic performance of our KB-CADe system. The indexing scheme was evaluated on two different datasets as (i) a search mechanism to sort through the knowledge database, and (ii) a selection mechanism to build a smaller, concise knowledge database that is easier to maintain but still effective. There were two important findings in the study. First, entropy-based indexing is an effective strategy to identify fast a subset of templates that are most relevant to a given query. Only this subset could be analyzed in more detail using mutual information for optimized decision making regarding the query. Second, a selective entropy-based deposit strategy may be preferable where only high entropy cases are maintained in the knowledge database. Overall, the proposed entropy-based indexing scheme was shown to reduce the computational cost of our KB-CADe system by 55% to 80% while maintaining the system's diagnostic performance.« less

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

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

Cannon, William; Zucker, Jeremy; Baxter, Douglas

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

Heat dissipation guides activation in signaling proteins.

PubMed

Weber, Jeffrey K; Shukla, Diwakar; Pande, Vijay S

2015-08-18

Life is fundamentally a nonequilibrium phenomenon. At the expense of dissipated energy, living things perform irreversible processes that allow them to propagate and reproduce. Within cells, evolution has designed nanoscale machines to do meaningful work with energy harnessed from a continuous flux of heat and particles. As dictated by the Second Law of Thermodynamics and its fluctuation theorem corollaries, irreversibility in nonequilibrium processes can be quantified in terms of how much entropy such dynamics produce. In this work, we seek to address a fundamental question linking biology and nonequilibrium physics: can the evolved dissipative pathways that facilitate biomolecular function be identified by their extent of entropy production in general relaxation processes? We here synthesize massive molecular dynamics simulations, Markov state models (MSMs), and nonequilibrium statistical mechanical theory to probe dissipation in two key classes of signaling proteins: kinases and G-protein-coupled receptors (GPCRs). Applying machinery from large deviation theory, we use MSMs constructed from protein simulations to generate dynamics conforming to positive levels of entropy production. We note the emergence of an array of peaks in the dynamical response (transient analogs of phase transitions) that draw the proteins between distinct levels of dissipation, and we see that the binding of ATP and agonist molecules modifies the observed dissipative landscapes. Overall, we find that dissipation is tightly coupled to activation in these signaling systems: dominant entropy-producing trajectories become localized near important barriers along known biological activation pathways. We go on to classify an array of equilibrium and nonequilibrium molecular switches that harmonize to promote functional dynamics.

Information efficiency in visual communication

NASA Astrophysics Data System (ADS)

Alter-Gartenberg, Rachel; Rahman, Zia-ur

1993-08-01

This paper evaluates the quantization process in the context of the end-to-end performance of the visual-communication channel. Results show that the trade-off between data transmission and visual quality revolves around the information in the acquired signal, not around its energy. Improved information efficiency is gained by frequency dependent quantization that maintains the information capacity of the channel and reduces the entropy of the encoded signal. Restorations with energy bit-allocation lose both in sharpness and clarity relative to restorations with information bit-allocation. Thus, quantization with information bit-allocation is preferred for high information efficiency and visual quality in optimized visual communication.

Information efficiency in visual communication

NASA Technical Reports Server (NTRS)

Alter-Gartenberg, Rachel; Rahman, Zia-Ur

1993-01-01

This paper evaluates the quantization process in the context of the end-to-end performance of the visual-communication channel. Results show that the trade-off between data transmission and visual quality revolves around the information in the acquired signal, not around its energy. Improved information efficiency is gained by frequency dependent quantization that maintains the information capacity of the channel and reduces the entropy of the encoded signal. Restorations with energy bit-allocation lose both in sharpness and clarity relative to restorations with information bit-allocation. Thus, quantization with information bit-allocation is preferred for high information efficiency and visual quality in optimized visual communication.

Entropy, pricing and productivity of pumped-storage

NASA Astrophysics Data System (ADS)

Karakatsanis, Georgios; Tyralis, Hristos; Tzouka, Katerina

2016-04-01

Pumped-storage constitutes today a mature method of bulk electricity storage in the form of hydropower. This bulk electricity storability upgrades the economic value of hydropower as it may mitigate -or even neutralize- stochastic effects deriving from various geophysical and socioeconomic factors, which produce numerous load balance inefficiencies due to increased uncertainty. Pumped-storage further holds a key role for unifying intermittent renewable (i.e. wind, solar) units with controllable non-renewable (i.e. nuclear, coal) fuel electricity generation plants into integrated energy systems. We develop a set of indicators for the measurement of performance of pumped-storage, in terms of the latter's energy and financial contribution to the energy system. More specifically, we use the concept of entropy in order to examine: (1) the statistical features -and correlations- of the energy system's intermittent components and (2) the statistical features of electricity demand prediction deviations. In this way, the macroeconomics of pumped-storage emerges naturally from its statistical features (Karakatsanis et al. 2014). In addition, these findings are combined to actual daily loads. Hence, not only the amount of energy harvested from the pumped-storage component is expected to be important, but the harvesting time as well, as the intraday price of electricity varies significantly. Additionally, the structure of the pumped-storage market proves to be a significant factor as well for the system's energy and financial performance (Paine et al. 2014). According to the above, we aim at postulating a set of general rules on the productivity of pumped-storage for (integrated) energy systems. Keywords: pumped-storage, storability, economic value of hydropower, stochastic effects, uncertainty, energy systems, entropy, intraday electricity price, productivity References 1. Karakatsanis, Georgios et al. (2014), Entropy, pricing and macroeconomics of pumped-storage systems, Vienna, Austria, April 27 - May 2 2014, "The Face of the Earth - Process and Form", European Geophysical Union General Assembly 2. Paine, Nathan et al. (2014), Why market rules matter: Optimizing pumped hydroelectric storage when compensation rules differ, Energy Economics 46, 10-19

Entropy reduction via simplified image contourization

NASA Technical Reports Server (NTRS)

Turner, Martin J.

1993-01-01

The process of contourization is presented which converts a raster image into a set of plateaux or contours. These contours can be grouped into a hierarchical structure, defining total spatial inclusion, called a contour tree. A contour coder has been developed which fully describes these contours in a compact and efficient manner and is the basis for an image compression method. Simplification of the contour tree has been undertaken by merging contour tree nodes thus lowering the contour tree's entropy. This can be exploited by the contour coder to increase the image compression ratio. By applying general and simple rules derived from physiological experiments on the human vision system, lossy image compression can be achieved which minimizes noticeable artifacts in the simplified image.

An entropy regularization method applied to the identification of wave distribution function for an ELF hiss event

NASA Astrophysics Data System (ADS)

Prot, Olivier; SantolíK, OndřEj; Trotignon, Jean-Gabriel; Deferaudy, Hervé

2006-06-01

An entropy regularization algorithm (ERA) has been developed to compute the wave-energy density from electromagnetic field measurements. It is based on the wave distribution function (WDF) concept. To assess its suitability and efficiency, the algorithm is applied to experimental data that has already been analyzed using other inversion techniques. The FREJA satellite data that is used consists of six spectral matrices corresponding to six time-frequency points of an ELF hiss-event spectrogram. The WDF analysis is performed on these six points and the results are compared with those obtained previously. A statistical stability analysis confirms the stability of the solutions. The WDF computation is fast and without any prespecified parameters. The regularization parameter has been chosen in accordance with the Morozov's discrepancy principle. The Generalized Cross Validation and L-curve criterions are then tentatively used to provide a fully data-driven method. However, these criterions fail to determine a suitable value of the regularization parameter. Although the entropy regularization leads to solutions that agree fairly well with those already published, some differences are observed, and these are discussed in detail. The main advantage of the ERA is to return the WDF that exhibits the largest entropy and to avoid the use of a priori models, which sometimes seem to be more accurate but without any justification.

Thermodynamics of concentrated solid solution alloys

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

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

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

Thermodynamics of concentrated solid solution alloys

DOE PAGES

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

2017-10-12

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

Noise reduction algorithm with the soft thresholding based on the Shannon entropy and bone-conduction speech cross- correlation bands.

PubMed

Na, Sung Dae; Wei, Qun; Seong, Ki Woong; Cho, Jin Ho; Kim, Myoung Nam

2018-01-01

The conventional methods of speech enhancement, noise reduction, and voice activity detection are based on the suppression of noise or non-speech components of the target air-conduction signals. However, air-conduced speech is hard to differentiate from babble or white noise signals. To overcome this problem, the proposed algorithm uses the bone-conduction speech signals and soft thresholding based on the Shannon entropy principle and cross-correlation of air- and bone-conduction signals. A new algorithm for speech detection and noise reduction is proposed, which makes use of the Shannon entropy principle and cross-correlation with the bone-conduction speech signals to threshold the wavelet packet coefficients of the noisy speech. The proposed method can be get efficient result by objective quality measure that are PESQ, RMSE, Correlation, SNR. Each threshold is generated by the entropy and cross-correlation approaches in the decomposed bands using the wavelet packet decomposition. As a result, the noise is reduced by the proposed method using the MATLAB simulation. To verify the method feasibility, we compared the air- and bone-conduction speech signals and their spectra by the proposed method. As a result, high performance of the proposed method is confirmed, which makes it quite instrumental to future applications in communication devices, noisy environment, construction, and military operations.

The technique of entropy optimization in motor current signature analysis and its application in the fault diagnosis of gear transmission

NASA Astrophysics Data System (ADS)

Chen, Xiaoguang; Liang, Lin; Liu, Fei; Xu, Guanghua; Luo, Ailing; Zhang, Sicong

2012-05-01

Nowadays, Motor Current Signature Analysis (MCSA) is widely used in the fault diagnosis and condition monitoring of machine tools. However, although the current signal has lower SNR (Signal Noise Ratio), it is difficult to identify the feature frequencies of machine tools from complex current spectrum that the feature frequencies are often dense and overlapping by traditional signal processing method such as FFT transformation. With the study in the Motor Current Signature Analysis (MCSA), it is found that the entropy is of importance for frequency identification, which is associated with the probability distribution of any random variable. Therefore, it plays an important role in the signal processing. In order to solve the problem that the feature frequencies are difficult to be identified, an entropy optimization technique based on motor current signal is presented in this paper for extracting the typical feature frequencies of machine tools which can effectively suppress the disturbances. Some simulated current signals were made by MATLAB, and a current signal was obtained from a complex gearbox of an iron works made in Luxembourg. In diagnosis the MCSA is combined with entropy optimization. Both simulated and experimental results show that this technique is efficient, accurate and reliable enough to extract the feature frequencies of current signal, which provides a new strategy for the fault diagnosis and the condition monitoring of machine tools.

Atomic scale modelling of hexagonal structured metallic fission product alloys

PubMed Central

Middleburgh, S. C.; King, D. M.; Lumpkin, G. R.

2015-01-01

Noble metal particles in the Mo-Pd-Rh-Ru-Tc system have been simulated on the atomic scale using density functional theory techniques for the first time. The composition and behaviour of the epsilon phases are consistent with high-entropy alloys (or multi-principal component alloys)—making the epsilon phase the only hexagonally close packed high-entropy alloy currently described. Configurational entropy effects were considered to predict the stability of the alloys with increasing temperatures. The variation of Mo content was modelled to understand the change in alloy structure and behaviour with fuel burnup (Mo molar content decreases in these alloys as burnup increases). The predicted structures compare extremely well with experimentally ascertained values. Vacancy formation energies and the behaviour of extrinsic defects (including iodine and xenon) in the epsilon phase were also investigated to further understand the impact that the metallic precipitates have on fuel performance. PMID:26064629

Conflict or coordination? Assessing land use multi-functionalization using production-living-ecology analysis.

PubMed

Zhou, De; Xu, Jianchun; Lin, Zhulu

2017-01-15

Land use multi-functionalization (LUMF) promotes efficient and sustainable land use, reduces land pressures from limited land resources, and elevates urbanization quality in the midst of the increasingly tense relationship between humans and nature. In this study, we propose a new conceptual index system using system science, entropy weight method, triangle model, and coupling coordination degree model for LUMF assessment as well as an analysis of the relationship among land use sub-functions. This framework was applied to six cities in the urban agglomeration around Hangzhou Bay (UAHB) in eastern China's Zhejiang Province using twenty-two indicators in terms of production-living-ecology analysis during 2004-2013. The UAHB LUMF level increased over the past ten years, being affected by the designated functions and the "planning effect" for the six cities in the UAHB. The relationships among land use sub-functions in the six cities displayed strong variabilities at the spatial and temporal scales. The overall patterns of the relative importance of these sub-functions also differed from each other. Our research also shows that urban development in the UAHB had focused more on economic growth than on ecological protection and the regional development in the UAHB's six cities was unbalanced. Therefore, we suggest urban and land use management need to embrace more integrated planning and design in order to maintain efficient and sustainable land use. Copyright © 2016. Published by Elsevier B.V.

SPICODYN: A Toolbox for the Analysis of Neuronal Network Dynamics and Connectivity from Multi-Site Spike Signal Recordings.

PubMed

Pastore, Vito Paolo; Godjoski, Aleksandar; Martinoia, Sergio; Massobrio, Paolo

2018-01-01

We implemented an automated and efficient open-source software for the analysis of multi-site neuronal spike signals. The software package, named SPICODYN, has been developed as a standalone windows GUI application, using C# programming language with Microsoft Visual Studio based on .NET framework 4.5 development environment. Accepted input data formats are HDF5, level 5 MAT and text files, containing recorded or generated time series spike signals data. SPICODYN processes such electrophysiological signals focusing on: spiking and bursting dynamics and functional-effective connectivity analysis. In particular, for inferring network connectivity, a new implementation of the transfer entropy method is presented dealing with multiple time delays (temporal extension) and with multiple binary patterns (high order extension). SPICODYN is specifically tailored to process data coming from different Multi-Electrode Arrays setups, guarantying, in those specific cases, automated processing. The optimized implementation of the Delayed Transfer Entropy and the High-Order Transfer Entropy algorithms, allows performing accurate and rapid analysis on multiple spike trains from thousands of electrodes.

Minimum entropy deconvolution optimized sinusoidal synthesis and its application to vibration based fault detection

NASA Astrophysics Data System (ADS)

Li, Gang; Zhao, Qing

2017-03-01

In this paper, a minimum entropy deconvolution based sinusoidal synthesis (MEDSS) filter is proposed to improve the fault detection performance of the regular sinusoidal synthesis (SS) method. The SS filter is an efficient linear predictor that exploits the frequency properties during model construction. The phase information of the harmonic components is not used in the regular SS filter. However, the phase relationships are important in differentiating noise from characteristic impulsive fault signatures. Therefore, in this work, the minimum entropy deconvolution (MED) technique is used to optimize the SS filter during the model construction process. A time-weighted-error Kalman filter is used to estimate the MEDSS model parameters adaptively. Three simulation examples and a practical application case study are provided to illustrate the effectiveness of the proposed method. The regular SS method and the autoregressive MED (ARMED) method are also implemented for comparison. The MEDSS model has demonstrated superior performance compared to the regular SS method and it also shows comparable or better performance with much less computational intensity than the ARMED method.

Information entropy of Gegenbauer polynomials and Gaussian quadrature

NASA Astrophysics Data System (ADS)

Sánchez-Ruiz, Jorge

2003-05-01

In a recent paper (Buyarov V S, López-Artés P, Martínez-Finkelshtein A and Van Assche W 2000 J. Phys. A: Math. Gen. 33 6549-60), an efficient method was provided for evaluating in closed form the information entropy of the Gegenbauer polynomials C(lambda)n(x) in the case when lambda = l in Bbb N. For given values of n and l, this method requires the computation by means of recurrence relations of two auxiliary polynomials, P(x) and H(x), of degrees 2l - 2 and 2l - 4, respectively. Here it is shown that P(x) is related to the coefficients of the Gaussian quadrature formula for the Gegenbauer weights wl(x) = (1 - x2)l-1/2, and this fact is used to obtain the explicit expression of P(x). From this result, an explicit formula is also given for the polynomial S(x) = limnrightarrowinfty P(1 - x/(2n2)), which is relevant to the study of the asymptotic (n rightarrow infty with l fixed) behaviour of the entropy.

Developing Soil Moisture Profiles Utilizing Remotely Sensed MW and TIR Based SM Estimates Through Principle of Maximum Entropy

NASA Astrophysics Data System (ADS)

Mishra, V.; Cruise, J. F.; Mecikalski, J. R.

2015-12-01

Developing accurate vertical soil moisture profiles with minimum input requirements is important to agricultural as well as land surface modeling. Earlier studies show that the principle of maximum entropy (POME) can be utilized to develop vertical soil moisture profiles with accuracy (MAE of about 1% for a monotonically dry profile; nearly 2% for monotonically wet profiles and 3.8% for mixed profiles) with minimum constraints (surface, mean and bottom soil moisture contents). In this study, the constraints for the vertical soil moisture profiles were obtained from remotely sensed data. Low resolution (25 km) MW soil moisture estimates (AMSR-E) were downscaled to 4 km using a soil evaporation efficiency index based disaggregation approach. The downscaled MW soil moisture estimates served as a surface boundary condition, while 4 km resolution TIR based Atmospheric Land Exchange Inverse (ALEXI) estimates provided the required mean root-zone soil moisture content. Bottom soil moisture content is assumed to be a soil dependent constant. Mulit-year (2002-2011) gridded profiles were developed for the southeastern United States using the POME method. The soil moisture profiles were compared to those generated in land surface models (Land Information System (LIS) and an agricultural model DSSAT) along with available NRCS SCAN sites in the study region. The end product, spatial soil moisture profiles, can be assimilated into agricultural and hydrologic models in lieu of precipitation for data scarce regions.Developing accurate vertical soil moisture profiles with minimum input requirements is important to agricultural as well as land surface modeling. Previous studies have shown that the principle of maximum entropy (POME) can be utilized with minimal constraints to develop vertical soil moisture profiles with accuracy (MAE = 1% for monotonically dry profiles; MAE = 2% for monotonically wet profiles and MAE = 3.8% for mixed profiles) when compared to laboratory and field data. In this study, vertical soil moisture profiles were developed using the POME model to evaluate an irrigation schedule over a maze field in north central Alabama (USA). The model was validated using both field data and a physically based mathematical model. The results demonstrate that a simple two-constraint entropy model under the assumption of a uniform initial soil moisture distribution can simulate most soil moisture profiles within the field area for 6 different soil types. The results of the irrigation simulation demonstrated that the POME model produced a very efficient irrigation strategy with loss of about 1.9% of the total applied irrigation water. However, areas of fine-textured soil (i.e. silty clay) resulted in plant stress of nearly 30% of the available moisture content due to insufficient water supply on the last day of the drying phase of the irrigation cycle. Overall, the POME approach showed promise as a general strategy to guide irrigation in humid environments, with minimum input requirements.

Efficient option valuation of single and double barrier options

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Molecular simulations of polycation-DNA binding exploring the effect of peptide chemistry and sequence in nuclear localization sequence based polycations.

PubMed

Elder, Robert M; Jayaraman, Arthi

2013-10-10

Gene therapy relies on the delivery of DNA into cells, and polycations are one class of vectors enabling efficient DNA delivery. Nuclear localization sequences (NLS), cationic oligopeptides that target molecules for nuclear entry, can be incorporated into polycations to improve their gene delivery efficiency. We use simulations to study the effect of peptide chemistry and sequence on the DNA-binding behavior of NLS-grafted polycations by systematically mutating the residues in the grafts, which are based on the SV40 NLS (peptide sequence PKKKRKV). Replacing arginine (R) with lysine (K) reduces binding strength by eliminating arginine-DNA interactions, but placing R in a less hindered location (e.g., farther from the grafting point to the polycation backbone) has surprisingly little effect on polycation-DNA binding strength. Changing the positions of the hydrophobic proline (P) and valine (V) residues relative to the polycation backbone changes hydrophobic aggregation within the polycation and, consequently, changes the conformational entropy loss that occurs upon polycation-DNA binding. Since conformational entropy loss affects the free energy of binding, the positions of P and V in the grafts affect DNA binding affinity. The insight from this work guides synthesis of polycations with tailored DNA binding affinity and, in turn, efficient DNA delivery.

Analyzing the complexity of cone production in longleaf pine by multiscale entropy

Treesearch

Xiongwen Chen; Qinfeng Guo; Dale G. Brockway

2016-01-01

The longleaf pine (Pinus palustris Mill.) forests are important ecosystems in the southeastern USA because of their ecological and economic value. Since European settlement, longleaf pine ecosystems have dramatically declined in extent, to the degree that they are now listed as endangered ecosystems. Its sporadic seed production, which...

Non-extensive entropy and properties of polaron in RbCl delta quantum dot under an applied electric field and Coulombic impurity

NASA Astrophysics Data System (ADS)

Tiotsop, M.; Fotue, A. J.; Fotsin, H. B.; Fai, L. C.

2017-08-01

Bound polaron in RbCl delta quantum dot under electric field and Coulombic impurity were considered. The ground and first excited state energy were derived by employing Pekar variational and unitary transformation methods. Applying Fermi golden rule, the expression of temperature and polaron lifetime were derived. The decoherence was studied trough the Tsallis entropy. Results shows that decreasing (or increasing) the lifetime increases (or decreases) the temperature and delta parameter (electric field strength and hydrogenic impurity). This suggests that to accelerate quantum transition in nanostructure, temperature and delta have to be enhanced. The improvement of electric field and coulomb parameter, increases the lifetime of the delta quantum dot qubit. Energy spectrum of polaron increases with increase in temperature, electric field strength, Coulomb parameter, delta parameter, and polaronic radius. The control of the delta quantum dot energies can be done via the electric field, coulomb impurity, and delta parameter. Results also show that the non-extensive entropy is an oscillatory function of time. With the enhancement of delta parameter, non-extensive parameter, Coulombic parameter, and electric field strength, the entropy has a sinusoidal increase behavior with time. With the study of decoherence through the Tsallis entropy, it may be advised that to have a quantum system with efficient transmission of information, the non-extensive and delta parameters need to be significant. The study of the probability density showed an increase from the boundary to the center of the dot where it has its maximum value and oscillates with period T0 = ℏ / ΔE with the tunneling of the delta parameter, electric field strength, and Coulombic parameter. The results may be very helpful in the transmission of information in nanostructures and control of decoherence

Plasma Transport and Magnetic Flux Circulation in Saturn's Magnetosphere

NASA Astrophysics Data System (ADS)

Neupane, B. R.; Delamere, P. A.; Ma, X.; Wilson, R. J.

2017-12-01

Radial transport of plasma in the rapidly rotating magnetospheres is an important dynamical process. Radial transport is due to the centrifugally driven interchange instability and magnetodisc reconnection, allowing net mass to be transported outward while conserving magnetic flux. Using Cassini Plasma Spectrometer instrument (CAPS) data products (e.g., Thomsen et al., [2010]; Wilson et al., [2017]) we estimate plasma mass and magnetic flux transport rates as functions of radial distance and local time. The physical requirement for zero net magnetic flux transport provides a key benchmark for assessing the validity of our mass transport estimate. We also evaluate magnetodisc stability using a two-dimensional axisymmetric equilibrium model [Caudal, 1986]. Observed local properties (e.g., specific entropy and estimates of flux tube mass and entropy content) are compared with modeled equilibrium conditions such that departures from equilibrium can be correlated with radial flows and local magnetic field structure. Finally, observations of specific entropy indicate that plasma is non-adiabatic heated during transport. However, the values of specific entropy are well organized in inner magnetosphere (i.e. L<10), and become widely scattered in the middle magnetosphere, suggesting that the transport dynamics of the inner and middle magnetosphere are different.

Dimensionality and entropy of spontaneous and evoked rate activity

NASA Astrophysics Data System (ADS)

Engelken, Rainer; Wolf, Fred

Cortical circuits exhibit complex activity patterns both spontaneously and evoked by external stimuli. Finding low-dimensional structure in population activity is a challenge. What is the diversity of the collective neural activity and how is it affected by an external stimulus? Using concepts from ergodic theory, we calculate the attractor dimensionality and dynamical entropy production of these networks. We obtain these two canonical measures of the collective network dynamics from the full set of Lyapunov exponents. We consider a randomly-wired firing-rate network that exhibits chaotic rate fluctuations for sufficiently strong synaptic weights. We show that dynamical entropy scales logarithmically with synaptic coupling strength, while the attractor dimensionality saturates. Thus, despite the increasing uncertainty, the diversity of collective activity saturates for strong coupling. We find that a time-varying external stimulus drastically reduces both entropy and dimensionality. Finally, we analytically approximate the full Lyapunov spectrum in several limiting cases by random matrix theory. Our study opens a novel avenue to characterize the complex dynamics of rate networks and the geometric structure of the corresponding high-dimensional chaotic attractor. received funding from Evangelisches Studienwerk Villigst, DFG through CRC 889 and Volkswagen Foundation.

Entangled spins and ghost-spins

NASA Astrophysics Data System (ADS)

Jatkar, Dileep P.; Narayan, K.

2017-09-01

We study patterns of quantum entanglement in systems of spins and ghost-spins regarding them as simple quantum mechanical toy models for theories containing negative norm states. We define a single ghost-spin as in [20] as a 2-state spin variable with an indefinite inner product in the state space. We find that whenever the spin sector is disentangled from the ghost-spin sector (both of which could be entangled within themselves), the reduced density matrix obtained by tracing over all the ghost-spins gives rise to positive entanglement entropy for positive norm states, while negative norm states have an entanglement entropy with a negative real part and a constant imaginary part. However when the spins are entangled with the ghost-spins, there are new entanglement patterns in general. For systems where the number of ghost-spins is even, it is possible to find subsectors of the Hilbert space where positive norm states always lead to positive entanglement entropy after tracing over the ghost-spins. With an odd number of ghost-spins however, we find that there always exist positive norm states with negative real part for entanglement entropy after tracing over the ghost-spins.

Charged Dirac Particles' Hawking Radiation via Tunneling of Both Horizons and Thermodynamics Properties of Kerr-Newman-Kasuya-Taub-NUT-AdS Black Holes

NASA Astrophysics Data System (ADS)

Ali, M. Hossain; Sultana, Kausari

2013-12-01

We investigate Hawking radiation of electrically and magnetically charged Dirac particles from a dyonic Kerr-Newman-Kasuya-Taub-NUT-Anti-de Sitter (KNKTN-AdS) black hole by considering thermal characters of both the outer and inner horizons. We apply Damour-Ruffini method and membrane method to calculate the temperature and the entropy of the inner horizon of the KNKTN-AdS black hole. The inner horizon admits thermal character with positive temperature and entropy proportional to its area. The inner horizon entropy contributes to the total entropy of the black hole in the context of Nernst theorem. Considering conservation of energy, charges, angular momentum, and the back-reaction of emitting particles to the spacetime, we obtain the emission spectra for both the inner and outer horizons. The total emission rate is obtained as the product of the emission rates of the inner and outer horizons. It deviates from the purely thermal spectrum with the leading term exactly the Boltzman factor and can bring some information out. The result thus can be treated as an explanation to the information loss paradox.

Using the concept of Shannon's Entropy to evaluate impacts of climate extremes on interannual variability in ecosystem CO2 fluxes

NASA Astrophysics Data System (ADS)

Ma, S.; Baldocchi, D. D.

2016-12-01

Although interannual variability in ecosystem CO2 fluxes have been observed in the field and described with empirical or process-based models, we still lack tools for evaluating and comparing impacts of climate extremes or unusual biogeophysical events on the variability. We examined a 15-year-long dataset of net ecosystem exchange of CO2 (NEE) measured at a woody savanna and a grassland site in California from 2000 to 2015. We proposed a conceptual framework to quantify season contributions by computing relatively contributions of each season to annual anomalies of gross ecosystem productivity (GPP) and ecosystem respiration (Reco). According to the framework, we calculated the Shannon's Entropy for each year. The values of Shannon Entropy were higher in the year that variations in GPP and Reco were beyond predictions of empirical models established for the study site. We specifically examined the outliers compared to model predictions and concluded that the outliers were related to occurrences of unexpected biogeophysical events in those years. This study offers a new application of Shannon's Entropy in understanding complicated biophysical and ecological processes involved in ecosystem carbon cycling.

A fault diagnosis scheme for rolling bearing based on local mean decomposition and improved multiscale fuzzy entropy

NASA Astrophysics Data System (ADS)

Li, Yongbo; Xu, Minqiang; Wang, Rixin; Huang, Wenhu

2016-01-01

This paper presents a new rolling bearing fault diagnosis method based on local mean decomposition (LMD), improved multiscale fuzzy entropy (IMFE), Laplacian score (LS) and improved support vector machine based binary tree (ISVM-BT). When the fault occurs in rolling bearings, the measured vibration signal is a multi-component amplitude-modulated and frequency-modulated (AM-FM) signal. LMD, a new self-adaptive time-frequency analysis method can decompose any complicated signal into a series of product functions (PFs), each of which is exactly a mono-component AM-FM signal. Hence, LMD is introduced to preprocess the vibration signal. Furthermore, IMFE that is designed to avoid the inaccurate estimation of fuzzy entropy can be utilized to quantify the complexity and self-similarity of time series for a range of scales based on fuzzy entropy. Besides, the LS approach is introduced to refine the fault features by sorting the scale factors. Subsequently, the obtained features are fed into the multi-fault classifier ISVM-BT to automatically fulfill the fault pattern identifications. The experimental results validate the effectiveness of the methodology and demonstrate that proposed algorithm can be applied to recognize the different categories and severities of rolling bearings.

Dynamics of entanglement in expanding quantum fields

NASA Astrophysics Data System (ADS)

Berges, Jürgen; Floerchinger, Stefan; Venugopalan, Raju

2018-04-01

We develop a functional real-time approach to computing the entanglement between spatial regions for Gaussian states in quantum field theory. The entanglement entropy is characterized in terms of local correlation functions on space-like Cauchy hypersurfaces. The framework is applied to explore an expanding light cone geometry in the particular case of the Schwinger model for quantum electrodynamics in 1+1 space-time dimensions. We observe that the entanglement entropy becomes extensive in rapidity at early times and that the corresponding local reduced density matrix is a thermal density matrix for excitations around a coherent field with a time dependent temperature. Since the Schwinger model successfully describes many features of multiparticle production in e + e - collisions, our results provide an attractive explanation in this framework for the apparent thermal nature of multiparticle production even in the absence of significant final state scattering.

Predicting the Cosmological Constant from the CausalEntropic Principle

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

Bousso, Raphael; Harnik, Roni; Kribs, Graham D.

2007-02-20

We compute the expected value of the cosmological constant in our universe from the Causal Entropic Principle. Since observers must obey the laws of thermodynamics and causality, it asserts that physical parameters are most likely to be found in the range of values for which the total entropy production within a causally connected region is maximized. Despite the absence of more explicit anthropic criteria, the resulting probability distribution turns out to be in excellent agreement with observation. In particular, we find that dust heated by stars dominates the entropy production, demonstrating the remarkable power of this thermodynamic selection criterion. Themore » alternative approach--weighting by the number of ''observers per baryon''--is less well-defined, requires problematic assumptions about the nature of observers, and yet prefers values larger than present experimental bounds.« less

Entropy production in mesoscopic stochastic thermodynamics: nonequilibrium kinetic cycles driven by chemical potentials, temperatures, and mechanical forces

NASA Astrophysics Data System (ADS)

Qian, Hong; Kjelstrup, Signe; Kolomeisky, Anatoly B.; Bedeaux, Dick

2016-04-01

Nonequilibrium thermodynamics (NET) investigates processes in systems out of global equilibrium. On a mesoscopic level, it provides a statistical dynamic description of various complex phenomena such as chemical reactions, ion transport, diffusion, thermochemical, thermomechanical and mechanochemical fluxes. In the present review, we introduce a mesoscopic stochastic formulation of NET by analyzing entropy production in several simple examples. The fundamental role of nonequilibrium steady-state cycle kinetics is emphasized. The statistical mechanics of Onsager’s reciprocal relations in this context is elucidated. Chemomechanical, thermomechanical, and enzyme-catalyzed thermochemical energy transduction processes are discussed. It is argued that mesoscopic stochastic NET in phase space provides a rigorous mathematical basis of fundamental concepts needed for understanding complex processes in chemistry, physics and biology. This theory is also relevant for nanoscale technological advances.

Compatible, energy conserving, bounds preserving remap of hydrodynamic fields for an extended ALE scheme

DOE PAGES

Burton, Donald E.; Morgan, Nathaniel Ray; Charest, Marc Robert Joseph; ...

2017-11-22

From the very origins of numerical hydrodynamics in the Lagrangian work of von Neumann and Richtmyer [83], the issue of total energy conservation as well as entropy production has been problematic. Because of well known problems with mesh deformation, Lagrangian schemes have evolved into Arbitrary Lagrangian–Eulerian (ALE) methods [39] that combine the best properties of Lagrangian and Eulerian methods. Energy issues have persisted for this class of methods. We believe that fundamental issues of energy conservation and entropy production in ALE require further examination. The context of the paper is an ALE scheme that is extended in the sense thatmore » it permits cyclic or periodic remap of data between grids of the same or differing connectivity. The principal design goals for a remap method then consist of total energy conservation, bounded internal energy, and compatibility of kinetic energy and momentum. We also have secondary objectives of limiting velocity and stress in a non-directional manner, keeping primitive variables monotone, and providing a higher than second order reconstruction of remapped variables. Particularly, the new contributions fall into three categories associated with: energy conservation and entropy production, reconstruction and bounds preservation of scalar and tensor fields, and conservative remap of nonlinear fields. Our paper presents a derivation of the methods, details of implementation, and numerical results for a number of test problems. The methods requires volume integration of polynomial functions in polytopal cells with planar facets, and the requisite expressions are derived for arbitrary order.« less

Compatible, energy conserving, bounds preserving remap of hydrodynamic fields for an extended ALE scheme

NASA Astrophysics Data System (ADS)

Burton, D. E.; Morgan, N. R.; Charest, M. R. J.; Kenamond, M. A.; Fung, J.

2018-02-01

From the very origins of numerical hydrodynamics in the Lagrangian work of von Neumann and Richtmyer [83], the issue of total energy conservation as well as entropy production has been problematic. Because of well known problems with mesh deformation, Lagrangian schemes have evolved into Arbitrary Lagrangian-Eulerian (ALE) methods [39] that combine the best properties of Lagrangian and Eulerian methods. Energy issues have persisted for this class of methods. We believe that fundamental issues of energy conservation and entropy production in ALE require further examination. The context of the paper is an ALE scheme that is extended in the sense that it permits cyclic or periodic remap of data between grids of the same or differing connectivity. The principal design goals for a remap method then consist of total energy conservation, bounded internal energy, and compatibility of kinetic energy and momentum. We also have secondary objectives of limiting velocity and stress in a non-directional manner, keeping primitive variables monotone, and providing a higher than second order reconstruction of remapped variables. In particular, the new contributions fall into three categories associated with: energy conservation and entropy production, reconstruction and bounds preservation of scalar and tensor fields, and conservative remap of nonlinear fields. The paper presents a derivation of the methods, details of implementation, and numerical results for a number of test problems. The methods requires volume integration of polynomial functions in polytopal cells with planar facets, and the requisite expressions are derived for arbitrary order.

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.

Compatible, energy conserving, bounds preserving remap of hydrodynamic fields for an extended ALE scheme

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

Burton, Donald E.; Morgan, Nathaniel Ray; Charest, Marc Robert Joseph

From the very origins of numerical hydrodynamics in the Lagrangian work of von Neumann and Richtmyer [83], the issue of total energy conservation as well as entropy production has been problematic. Because of well known problems with mesh deformation, Lagrangian schemes have evolved into Arbitrary Lagrangian–Eulerian (ALE) methods [39] that combine the best properties of Lagrangian and Eulerian methods. Energy issues have persisted for this class of methods. We believe that fundamental issues of energy conservation and entropy production in ALE require further examination. The context of the paper is an ALE scheme that is extended in the sense thatmore » it permits cyclic or periodic remap of data between grids of the same or differing connectivity. The principal design goals for a remap method then consist of total energy conservation, bounded internal energy, and compatibility of kinetic energy and momentum. We also have secondary objectives of limiting velocity and stress in a non-directional manner, keeping primitive variables monotone, and providing a higher than second order reconstruction of remapped variables. Particularly, the new contributions fall into three categories associated with: energy conservation and entropy production, reconstruction and bounds preservation of scalar and tensor fields, and conservative remap of nonlinear fields. Our paper presents a derivation of the methods, details of implementation, and numerical results for a number of test problems. The methods requires volume integration of polynomial functions in polytopal cells with planar facets, and the requisite expressions are derived for arbitrary order.« less

Quantization Distortion in Block Transform-Compressed Data

NASA Technical Reports Server (NTRS)

Boden, A. F.

1995-01-01

The popular JPEG image compression standard is an example of a block transform-based compression scheme; the image is systematically subdivided into block that are individually transformed, quantized, and encoded. The compression is achieved by quantizing the transformed data, reducing the data entropy and thus facilitating efficient encoding. A generic block transform model is introduced.

High-Speed Magnetohydrodynamic Flow Control Analyses With 3-D Simulations

DTIC Science & Technology

2008-01-01

color. 14. ABSTRACT Magnetohydrodynamic studies of high-speed flow control are described with emphasis on understanding fluid response to specific...interactions play a crucial role by distorting the velocity field. The interaction with an external circuit through electrodes is relatively efficient when... Entropy layer . . . . . . . . . . . . . 20 6 Energy management . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28 7 Conclusion

Logistic Map for Cancellable Biometrics

NASA Astrophysics Data System (ADS)

Supriya, V. G., Dr; Manjunatha, Ramachandra, Dr

2017-08-01

This paper presents design and implementation of secured biometric template protection system by transforming the biometric template using binary chaotic signals and 3 different key streams to obtain another form of template and demonstrating its efficiency by the results and investigating on its security through analysis including, key space analysis, information entropy and key sensitivity analysis.

Compression embedding

DOEpatents

Sandford, M.T. II; Handel, T.G.; Bradley, J.N.

1998-07-07

A method and apparatus for embedding auxiliary information into the digital representation of host data created by a lossy compression technique and a method and apparatus for constructing auxiliary data from the correspondence between values in a digital key-pair table with integer index values existing in a representation of host data created by a lossy compression technique are disclosed. The methods apply to data compressed with algorithms based on series expansion, quantization to a finite number of symbols, and entropy coding. Lossy compression methods represent the original data as ordered sequences of blocks containing integer indices having redundancy and uncertainty of value by one unit, allowing indices which are adjacent in value to be manipulated to encode auxiliary data. Also included is a method to improve the efficiency of lossy compression algorithms by embedding white noise into the integer indices. Lossy compression methods use loss-less compression to reduce to the final size the intermediate representation as indices. The efficiency of the loss-less compression, known also as entropy coding compression, is increased by manipulating the indices at the intermediate stage. Manipulation of the intermediate representation improves lossy compression performance by 1 to 10%. 21 figs.

Anosov C-systems and random number generators

NASA Astrophysics Data System (ADS)

Savvidy, G. K.

2016-08-01

We further develop our previous proposal to use hyperbolic Anosov C-systems to generate pseudorandom numbers and to use them for efficient Monte Carlo calculations in high energy particle physics. All trajectories of hyperbolic dynamical systems are exponentially unstable, and C-systems therefore have mixing of all orders, a countable Lebesgue spectrum, and a positive Kolmogorov entropy. These exceptional ergodic properties follow from the C-condition introduced by Anosov. This condition defines a rich class of dynamical systems forming an open set in the space of all dynamical systems. An important property of C-systems is that they have a countable set of everywhere dense periodic trajectories and their density increases exponentially with entropy. Of special interest are the C-systems defined on higher-dimensional tori. Such C-systems are excellent candidates for generating pseudorandom numbers that can be used in Monte Carlo calculations. An efficient algorithm was recently constructed that allows generating long C-system trajectories very rapidly. These trajectories have good statistical properties and can be used for calculations in quantum chromodynamics and in high energy particle physics.

Compression embedding

DOEpatents

Sandford, II, Maxwell T.; Handel, Theodore G.; Bradley, Jonathan N.

1998-01-01

A method and apparatus for embedding auxiliary information into the digital representation of host data created by a lossy compression technique and a method and apparatus for constructing auxiliary data from the correspondence between values in a digital key-pair table with integer index values existing in a representation of host data created by a lossy compression technique. The methods apply to data compressed with algorithms based on series expansion, quantization to a finite number of symbols, and entropy coding. Lossy compression methods represent the original data as ordered sequences of blocks containing integer indices having redundancy and uncertainty of value by one unit, allowing indices which are adjacent in value to be manipulated to encode auxiliary data. Also included is a method to improve the efficiency of lossy compression algorithms by embedding white noise into the integer indices. Lossy compression methods use loss-less compression to reduce to the final size the intermediate representation as indices. The efficiency of the loss-less compression, known also as entropy coding compression, is increased by manipulating the indices at the intermediate stage. Manipulation of the intermediate representation improves lossy compression performance by 1 to 10%.

Unifying three perspectives on information processing in stochastic thermodynamics.

PubMed

Barato, A C; Seifert, U

2014-03-07

So far, feedback-driven systems have been discussed using (i) measurement and control, (ii) a tape interacting with a system, or (iii) by identifying an implicit Maxwell demon in steady-state transport. We derive the corresponding second laws from one master fluctuation theorem and discuss their relationship. In particular, we show that both the entropy production involving mutual information between system and controller and the one involving a Shannon entropy difference of an information reservoir like a tape carry an extra term different from the usual current times affinity. We, thus, generalize stochastic thermodynamics to the presence of an information reservoir.

Shock melting and vaporization of metals.

NASA Technical Reports Server (NTRS)

Ahrens, T. J.

1972-01-01

The effect of initial porosity on shock induction of melting and vaporization is investigated for Ba, Sr, Li, Fe, Al, U, and Th. For the less compressible of these metals, it is found that for a given strong shock-generation system (explosive in contact, or flyer-plate impact) an optimum initial specific volume exists such that the total entropy production, and hence the amount of metal liquid or vapor, is a maximum. Initial volumes from 1.4 to 2.0 times crystal volumes, depending on the metal sample and shock-inducing system, will result in optimum post-shock entropies.

Holographic entanglement entropy in Suzuki-Trotter decomposition of spin systems.

PubMed

Matsueda, Hiroaki

2012-03-01

In quantum spin chains at criticality, two types of scaling for the entanglement entropy exist: one comes from conformal field theory (CFT), and the other is for entanglement support of matrix product state (MPS) approximation. On the other hand, the quantum spin-chain models can be mapped onto two-dimensional (2D) classical ones by the Suzuki-Trotter decomposition. Motivated by the scaling and the mapping, we introduce information entropy for 2D classical spin configurations as well as a spectrum, and examine their basic properties in the Ising and the three-state Potts models on the square lattice. They are defined by the singular values of the reduced density matrix for a Monte Carlo snapshot. We find scaling relations of the entropy compatible with the CFT and the MPS results. Thus, we propose that the entropy is a kind of "holographic" entanglement entropy. At T(c), the spin configuration is fractal, and various sizes of ordered clusters coexist. Then, the singular values automatically decompose the original snapshot into a set of images with different length scales, respectively. This is the origin of the scaling. In contrast to the MPS scaling, long-range spin correlation can be described by only few singular values. Furthermore, the spectrum, which is a set of logarithms of the singular values, also seems to be a holographic entanglement spectrum. We find multiple gaps in the spectrum, and in contrast to the topological phases, the low-lying levels below the gap represent spontaneous symmetry breaking. These contrasts are strong evidence of the dual nature of the holography. Based on these observations, we discuss the amount of information contained in one snapshot.

Determination of Adsorption Equations for Chloro Derivatives of Aniline on Halloysite Adsorbents Using Inverse Liquid Chromatography.

PubMed

Słomkiewicz, Piotr M; Szczepanik, Beata; Garnuszek, Magdalena; Rogala, Paweł; Witkiewicz, Zygfryd

2017-11-01

Chloro derivatives of aniline are commonly used in the production of dyes, pharmaceuticals, and agricultural agents. They are toxic compounds with a large accumulation ability and low natural biodegradability. Halloysite is known as an efficient adsorbent of toxic compounds, such as phenols or herbicides, from wastewater. Inverse LC was applied to measure the adsorption of aniline and 2-chloroaniline (2-CA), 3-chloroaniline (3-CA), and 4-chloroaniline (4-CA) on halloysite adsorbents. A peak division (PD) method was used to determine a Langmuir equation in accordance with the adsorption measurement results. The values of adsorption equilibrium constants and enthalpy were determined and compared by breakthrough curve and PD methods. The physical sense of the calculated adsorption enthalpy values was checked by applying Boudart's entropy criteria. Of note, adsorption enthalpy values for halloysite adsorbents decreased in the following order: aniline > 4-CA > 2-CA > 3-CA.

Quantum Landauer erasure with a molecular nanomagnet

NASA Astrophysics Data System (ADS)

Gaudenzi, R.; Burzurí, E.; Maegawa, S.; van der Zant, H. S. J.; Luis, F.

2018-06-01

The erasure of a bit of information is an irreversible operation whose minimal entropy production of kB ln 2 is set by the Landauer limit1. This limit has been verified in a variety of classical systems, including particles in traps2,3 and nanomagnets4. Here, we extend it to the quantum realm by using a crystal of molecular nanomagnets as a quantum spin memory and showing that its erasure is still governed by the Landauer principle. In contrast to classical systems, maximal energy efficiency is achieved while preserving fast operation owing to its high-speed spin dynamics. The performance of our spin register in terms of energy-time cost is orders of magnitude better than existing memory devices to date. The result shows that thermodynamics sets a limit on the energy cost of certain quantum operations and illustrates a way to enhance classical computations by using a quantum system.