Thermodynamic theory of equilibrium fluctuations
International Nuclear Information System (INIS)
Mishin, Y.
2015-01-01
The postulational basis of classical thermodynamics has been expanded to incorporate equilibrium fluctuations. The main additional elements of the proposed thermodynamic theory are the concept of quasi-equilibrium states, a definition of non-equilibrium entropy, a fundamental equation of state in the entropy representation, and a fluctuation postulate describing the probability distribution of macroscopic parameters of an isolated system. Although these elements introduce a statistical component that does not exist in classical thermodynamics, the logical structure of the theory is different from that of statistical mechanics and represents an expanded version of thermodynamics. Based on this theory, we present a regular procedure for calculations of equilibrium fluctuations of extensive parameters, intensive parameters and densities in systems with any number of fluctuating parameters. The proposed fluctuation formalism is demonstrated by four applications: (1) derivation of the complete set of fluctuation relations for a simple fluid in three different ensembles; (2) fluctuations in finite-reservoir systems interpolating between the canonical and micro-canonical ensembles; (3) derivation of fluctuation relations for excess properties of grain boundaries in binary solid solutions, and (4) derivation of the grain boundary width distribution for pre-melted grain boundaries in alloys. The last two applications offer an efficient fluctuation-based approach to calculations of interface excess properties and extraction of the disjoining potential in pre-melted grain boundaries. Possible future extensions of the theory are outlined.
Molecular thermodynamics using fluctuation solution theory
DEFF Research Database (Denmark)
Ellegaard, Martin Dela
. The framework relates thermodynamic variables to molecular pair correlation functions of liquid mixtures. In this thesis, application of the framework is illustrated using two approaches: 1. Solubilities of solid solutes in mixed solvent systems are determined from fluctuation solution theory application......Properties of chemicals and their mutual phase equilibria are critical variables in process design. Reliable estimates of relevant equilibrium properties, from thermodynamic models, can form the basis of good decision making in the development phase of a process design, especially when access...... to relevant experimental data is limited. This thesis addresses the issue of generating and using simple thermodynamic models within a rigorous statistical mechanical framework, the so-called fluctuation solution theory, from which relations connecting properties and phase equilibria can be obtained...
Thermodynamic properties of fluids from Fluctuation Solution Theory
International Nuclear Information System (INIS)
O'Connell, J.P.
1990-01-01
Fluctuation Theory develops exact relations between integrals of molecular correlation functions and concentration derivatives of pressure and chemical potential. These quantities can be usefully correlated, particularly for mechanical and thermal properties of pure and mixed dense fluids and for activities of strongly nonideal liquid solutions. The expressions yield unique formulae for the desirable thermodynamic properties of activity and density. The molecular theory origins of the flucuation properties, their behavior for systems of technical interest and some of their successful correlations will be described. Suggestions for fruitful directions will be suggested
Thermodynamic Models from Fluctuation Solution Theory Analysis of Molecular Simulations
DEFF Research Database (Denmark)
Christensen, Steen; Peters, Günther H.j.; Hansen, Flemming Yssing
2007-01-01
Fluctuation solution theory (FST) is employed to analyze results of molecular dynamics (MD) simulations of liquid mixtures. The objective is to generate parameters for macroscopic GE-models, here the modified Margules model. We present a strategy for choosing the number of parameters included...
Fluctuating Thermodynamics for Biological Processes
Ham, Sihyun
Because biomolecular processes are largely under thermodynamic control, dynamic extension of thermodynamics is necessary to uncover the mechanisms and driving factors of fluctuating processes. The fluctuating thermodynamics technology presented in this talk offers a practical means for the thermodynamic characterization of conformational dynamics in biomolecules. The use of fluctuating thermodynamics has the potential to provide a comprehensive picture of fluctuating phenomena in diverse biological processes. Through the application of fluctuating thermodynamics, we provide a thermodynamic perspective on the misfolding and aggregation of the various proteins associated with human diseases. In this talk, I will present the detailed concepts and applications of the fluctuating thermodynamics technology for elucidating biological processes. This work was supported by Samsung Science and Technology Foundation under Project Number SSTF-BA1401-13.
Stability and fluctuations in black hole thermodynamics
International Nuclear Information System (INIS)
Ruppeiner, George
2007-01-01
I examine thermodynamic fluctuations for a Kerr-Newman black hole in an extensive, infinite environment. This problem is not strictly solvable because full equilibrium with such an environment cannot be achieved by any black hole with mass M, angular momentum J, and charge Q. However, if we consider one (or two) of M, J, or Q to vary so slowly compared with the others that we can regard it as fixed, instances of stability occur, and thermodynamic fluctuation theory could plausibly apply. I examine seven cases with one, two, or three independent fluctuating variables. No knowledge about the thermodynamic behavior of the environment is needed. The thermodynamics of the black hole is sufficient. Let the fluctuation moment for a thermodynamic quantity X be √( 2 >). Fluctuations at fixed M are stable for all thermodynamic states, including that of a nonrotating and uncharged environment, corresponding to average values J=Q=0. Here, the fluctuation moments for J and Q take on maximum values. That for J is proportional to M. For the Planck mass it is 0.3990(ℎ/2π). That for Q is 3.301e, independent of M. In all cases, fluctuation moments for M, J, and Q go to zero at the limit of the physical regime, where the temperature goes to zero. With M fluctuating there are no stable cases for average J=Q=0. But, there are transitions to stability marked by infinite fluctuations. For purely M fluctuations, this coincides with a curve which Davies identified as a phase transition
Nonequilibrium thermodynamic fluctuations and phase transition in black holes
International Nuclear Information System (INIS)
Su, R.; Cai, R.; Yu, P.K.N.
1994-01-01
Landau nonequilibrium fluctuation and phase transition theory is applied to the discussion of the phase transition of black holes. Some second moments of relevant thermodynamical quantities for Kerr-Newman black holes are estimated. A theorem governing the divergence of some second moments and the occurrence of the phase transition in black holes is given
Thermodynamic fluctuations of electromagnetic field in slightly absorbing media
Directory of Open Access Journals (Sweden)
B.A.Veklenko
2004-01-01
Full Text Available A theory of thermodynamic fluctuations of electromagnetic field in slightly absorbing media is developed using the quantum electrodynamics - method of $Gamma$-operators - without phenomenology. The hypothesis offered by Yury L. Klimontovich is under consideration. The necessity of correct consideration of photon-photon correlation functions is shown. The results are compared with the ones obtained with the help of standard theory based upon fluctuation-dissipation theorem (FDT. The latter results are shown to have no field of application at least for the case of thermally excited media of the atoms described with two-level model.
Fluctuation Solution Theory Properties from Molecular Simulation
DEFF Research Database (Denmark)
Abildskov, Jens; Wedberg, R.; O’Connell, John P.
2013-01-01
The thermodynamic properties obtained in the Fluctuation Solution Theory are based on spatial integrals of molecular TCFs between component pairs in the mixture. Molecular simulation, via either MD or MC calculations, can yield these correlation functions for model inter- and intramolecular...
Stochastic thermodynamics, fluctuation theorems and molecular machines
International Nuclear Information System (INIS)
Seifert, Udo
2012-01-01
Stochastic thermodynamics as reviewed here systematically provides a framework for extending the notions of classical thermodynamics such as work, heat and entropy production to the level of individual trajectories of well-defined non-equilibrium ensembles. It applies whenever a non-equilibrium process is still coupled to one (or several) heat bath(s) of constant temperature. Paradigmatic systems are single colloidal particles in time-dependent laser traps, polymers in external flow, enzymes and molecular motors in single molecule assays, small biochemical networks and thermoelectric devices involving single electron transport. For such systems, a first-law like energy balance can be identified along fluctuating trajectories. For a basic Markovian dynamics implemented either on the continuum level with Langevin equations or on a discrete set of states as a master equation, thermodynamic consistency imposes a local-detailed balance constraint on noise and rates, respectively. Various integral and detailed fluctuation theorems, which are derived here in a unifying approach from one master theorem, constrain the probability distributions for work, heat and entropy production depending on the nature of the system and the choice of non-equilibrium conditions. For non-equilibrium steady states, particularly strong results hold like a generalized fluctuation–dissipation theorem involving entropy production. Ramifications and applications of these concepts include optimal driving between specified states in finite time, the role of measurement-based feedback processes and the relation between dissipation and irreversibility. Efficiency and, in particular, efficiency at maximum power can be discussed systematically beyond the linear response regime for two classes of molecular machines, isothermal ones such as molecular motors, and heat engines such as thermoelectric devices, using a common framework based on a cycle decomposition of entropy production. (review article)
Perspective: Structural fluctuation of protein and Anfinsen's thermodynamic hypothesis
Hirata, Fumio; Sugita, Masatake; Yoshida, Masasuke; Akasaka, Kazuyuki
2018-01-01
The thermodynamics hypothesis, casually referred to as "Anfinsen's dogma," is described theoretically in terms of a concept of the structural fluctuation of protein or the first moment (average structure) and the second moment (variance and covariance) of the structural distribution. The new theoretical concept views the unfolding and refolding processes of protein as a shift of the structural distribution induced by a thermodynamic perturbation, with the variance-covariance matrix varying. Based on the theoretical concept, a method to characterize the mechanism of folding (or unfolding) is proposed. The transition state, if any, between two stable states is interpreted as a gap in the distribution, which is created due to an extensive reorganization of hydrogen bonds among back-bone atoms of protein and with water molecules in the course of conformational change. Further perspective to applying the theory to the computer-aided drug design, and to the material science, is briefly discussed.
Fluctuating States: What is the Probability of a Thermodynamical Transition?
Directory of Open Access Journals (Sweden)
Álvaro M. Alhambra
2016-10-01
Full Text Available If the second law of thermodynamics forbids a transition from one state to another, then it is still possible to make the transition happen by using a sufficient amount of work. But if we do not have access to this amount of work, can the transition happen probabilistically? In the thermodynamic limit, this probability tends to zero, but here we find that for finite-sized and quantum systems it can be finite. We compute the maximum probability of a transition or a thermodynamical fluctuation from any initial state to any final state and show that this maximum can be achieved for any final state that is block diagonal in the energy eigenbasis. We also find upper and lower bounds on this transition probability, in terms of the work of transition. As a by-product, we introduce a finite set of thermodynamical monotones related to the thermomajorization criteria which governs state transitions and compute the work of transition in terms of them. The trade-off between the probability of a transition and any partial work added to aid in that transition is also considered. Our results have applications in entanglement theory, and we find the amount of entanglement required (or gained when transforming one pure entangled state into any other.
Gravitation, Thermodynamics, and Quantum Theory
Wald, Robert M.
1999-01-01
During the past 30 years, research in general relativity has brought to light strong hints of a very deep and fundamental relationship between gravitation, thermodynamics, and quantum theory. The most striking indication of such a relationship comes from black hole thermodynamics, where it appears that certain laws of black hole mechanics are, in fact, simply the ordinary laws of thermodynamics applied to a system containing a black hole. This article will review the present status of black h...
Thermodynamic fluctuations and the monopole density of the early Universe
International Nuclear Information System (INIS)
Diosi, L.; Lukacs, B.
1984-10-01
The probability of thermodynamic fluctuations is calculated by explicitly using the Riemannian structure of the thermodynamic state space. By means of this probability distribution, a correlation volume can be defined. Identifying this volume with one domain in the GUT continuum at the symmetry breaking phase transition in the early Universe, a prediction can be obtained for the primordial monopole density. (author)
Computer simulations of phospholipid - membrane thermodynamic fluctuations
DEFF Research Database (Denmark)
Pedersen, U.R.; Peters, Günther H.j.; Schröder, T.B.
2008-01-01
This paper reports all-atom computer simulations of five phospholipid membranes, DMPC, DPPC, DMPG, DMPS, and DMPSH, with a focus on the thermal equilibrium fluctuations of volume, energy, area, thickness, and order parameter. For the slow fluctuations at constant temperature and pressure (defined...... membranes, showing a similar picture. The cause of the observed strong correlations is identified by splitting volume and energy into contributions from tails, heads, and water, showing that the slow volume-energy fluctuations derive from the tail region’s van der Waals interactions and are thus analogous...
Anisotropic magnetoresistance and thermodynamic fluctuations in high-temperature superconductors
International Nuclear Information System (INIS)
Heine, G.
1999-05-01
Measurements of the in-plane and out-of-plane resistivity and the transverse and longitudinal in-plane and out-of-plane magnetoresistance above T, are reported in the high-temperature superconductors Bi2Sr2CaCu208+' and YBa2CU307 b . The carrier concentration of the Bi2Sr2CaCu208+' single crystals covers a broad range of the phase diagram from the slightly under doped to the moderately over doped region. The doping concentration of the thin films ranges from strongly under doped to optimally doped. The in-plane resistivities obey a metallic-like temperature dependence with a positive magnetoresistance in the transverse and the longitudinal orientation of the magnetic field. The out-of-plane resistivities show an activated behavior above T, with a metallic region at higher temperatures and negative magnetoresistance. The data were analyzed in the framework of a model for superconducting order parameter fluctuations. The positive in-plane magnetoresistance of the highly anisotropic Bi2Sr2CaCu208+x single crystals is interpreted as the suppression of the fluctuation-conductivity enhancement including orbital and spin contributions, whereas the negative magnetoresistance arises from the reduction of the fluctuation-induced pseudogap in the single-electron density-of-states by the magnetic field. For higher temperatures a transition to the normal-state magnetoresistance occurs for the in-plane transport. In the less anisotropic YBa2CU307 b thin films the positive out-of-plane magnetoresistance near T, changes sign to a negative magnetoresistance at higher temperatures. This behavior is also consistent with predictions from the theory of thermodynamic order-parameter fluctuations. The agreement of the fluctuation theory with the experimental findings is excellent for samples from the over doped side of the phase diagram, but deteriorate with decreasing carrier concentration. This behavior is interpreted by the dominating d-wave symmetry of the superconducting order
Thermodynamics of asymptotically safe theories
DEFF Research Database (Denmark)
Rischke, Dirk H.; Sannino, Francesco
2015-01-01
We investigate the thermodynamic properties of a novel class of gauge-Yukawa theories that have recently been shown to be completely asymptotically safe, because their short-distance behaviour is determined by the presence of an interacting fixed point. Not only do all the coupling constants freeze...
Thermodynamic Green functions in theory of superconductivity
Directory of Open Access Journals (Sweden)
N.M.Plakida
2006-01-01
Full Text Available A general theory of superconductivity is formulated within the thermodynamic Green function method for various types of pairing mediated by phonons, spin fluctuations, and strong Coulomb correlations in the Hubbard and t-J models. A rigorous Dyson equation for matrix Green functions is derived in terms of a self-energy as a many-particle Green function. By applying the noncrossing approximation for the self-energy, a closed self-consistent system of equations is obtained, similar to the conventional Eliashberg equations. A brief discussion of superconductivity mediated by kinematic interaction with an estimation of a superconducting transition temperature in the Hubbard model is given.
Nonequilibrium thermodynamics and fluctuation relations for small systems
International Nuclear Information System (INIS)
Cao Liang; Ke Pu; Qiao Li-Yan; Zheng Zhi-Gang
2014-01-01
In this review, we give a retrospect of the recent progress in nonequilibrium statistical mechanics and thermodynamics in small dynamical systems. For systems with only a few number of particles, fluctuations and nonlinearity become significant and contribute to the nonequilibrium behaviors of the systems, hence the statistical properties and thermodynamics should be carefully studied. We review recent developments of this topic by starting from the Gallavotti—Cohen fluctuation theorem, and then to the Evans—Searles transient fluctuation theorem, Jarzynski free-energy equality, and the Crooks fluctuation relation. We also investigate the nonequilibrium free energy theorem for trajectories involving changes of the heat bath temperature and propose a generalized free-energy relation. It should be noticed that the non-Markovian property of the heat bath may lead to the violation of the free-energy relation. (topical review - statistical physics and complex systems)
Association theories for complex thermodynamics
DEFF Research Database (Denmark)
Kontogeorgis, Georgios; Rafiqul Gani
2013-01-01
of this review is two-fold: first to illustrate some of the significant capabilities of these association theories and why indeed they have already been extensively used and are expected to find even more applications in the future. The second and most important aspect of this review is to outline many...... applications. While specialized models can handle different cases, even complex ones, with the advent of powerful theories and computers there is the hope that a single or a few models could be suitable for a general modeling of complex thermodynamics. After more than 100 years with active use of thermodynamic...... models, we have now come to the understanding that simple one-fluid theories like the cubic equations of state or the various forms of local composition models will never be able to model a wide range of complex systems with sufficient accuracy. While various modern approaches have appeared, one very...
Foundations of quantum theory and thermodynamics
International Nuclear Information System (INIS)
Olkhov, Victor
1998-01-01
Physical reasons to support the statement that Quantum theory (Quantum Gravity in particular as well as Classical Gravity) loose applicability due to Thermodynamical effects are presented. The statement is based on several points: 1. N.Bohr requirement that measuring units must have macro size is one of common fundamentals of Quantum theory. 2. The Reference System--the base notion of Classical and Quantum theory and of any observation process as well, must be protected from any external Thermal influence to provide precise measurements of Time and Distance. 3. No physical screen or process, that can reduce or reflect the action of Gravity is known and hence nothing can cool or protect the measuring units of the Reference System from heating by Thermal Gravity fluctuations. 4. Thermal Gravity fluctuations--Thermal fluctuations of Gravity free fall acceleration, are induced by Thermal behavior of matter and Thermal properties of Electromagnetic fields, but usually are neglected as near zero values. Matter heat Gravity and Gravity heat Matter. Thermal fluctuations of Gravity free fall acceleration act as a Universal Heater on any kind of Matter or Field. 5. Nevertheless the usual Thermal properties of Gravity are negligible, they can be dramatically increased by Gravity Blue Shift (near Gravitational Radius) or usual Doppler effects. 6. If Thermal action of Gravity become significant all measurements of Time and Distance that determine the Reference System notion, must depend on the Thermal properties of Gravity, like Temperature or Entropy, and that violate applicability of the Reference System notion and Quantum and Classical theories as well. If so, Thermal notions, like Temperature or Entropy, become more fundamental than common Time and Distance characters. The definition of the Temperature of the Gravity fluctuations and it's possible measurements are suggested
Chemical Thermodynamics and Information Theory with Applications
Graham, Daniel J
2011-01-01
Thermodynamics and information touch theory every facet of chemistry. However, the physical chemistry curriculum digested by students worldwide is still heavily skewed toward heat/work principles established more than a century ago. Rectifying this situation, Chemical Thermodynamics and Information Theory with Applications explores applications drawn from the intersection of thermodynamics and information theory--two mature and far-reaching fields. In an approach that intertwines information science and chemistry, this book covers: The informational aspects of thermodynamic state equations The
Thermodynamic theory of black holes
Energy Technology Data Exchange (ETDEWEB)
Davies, P C.W. [King' s Coll., London (UK). Dept. of Mathematics
1977-04-21
The thermodynamic theory underlying black hole processes is developed in detail and applied to model systems. It is found that Kerr-Newman black holes undergo a phase transition at a = 0.68M or Q = 0.86M, where the heat capacity has an infinite discontinuity. Above the transition values the specific heat is positive, permitting isothermal equilibrium with a surrounding heat bath. Simple processes and stability criteria for various black hole situations are investigated. The limits for entropically favoured black hole formation are found. The Nernst conditions for the third law of thermodynamics are not satisfied fully for black holes. There is no obvious thermodynamic reason why a black hole may not be cooled down below absolute zero and converted into a naked singularity. Quantum energy-momentum tensor calculations for uncharged black holes are extended to the Reissner-Nordstrom case, and found to be fully consistent with the thermodynamic picture for Q < M. For Q < M the model predicts that 'naked' collapse also produces radiation, with such intensity that the collapsing matter is entirely evaporated away before a naked singularity can form.
Thermodynamic fluctuations within the Gibbs and Einstein approaches
International Nuclear Information System (INIS)
Rudoi, Yurii G; Sukhanov, Alexander D
2000-01-01
A comparative analysis of the descriptions of fluctuations in statistical mechanics (the Gibbs approach) and in statistical thermodynamics (the Einstein approach) is given. On this basis solutions are obtained for the Gibbs and Einstein problems that arise in pressure fluctuation calculations for a spatially limited equilibrium (or slightly nonequilibrium) macroscopic system. A modern formulation of the Gibbs approach which allows one to calculate equilibrium pressure fluctuations without making any additional assumptions is presented; to this end the generalized Bogolyubov - Zubarev and Hellmann - Feynman theorems are proved for the classical and quantum descriptions of a macrosystem. A statistical version of the Einstein approach is developed which shows a fundamental difference in pressure fluctuation results obtained within the context of two approaches. Both the 'genetic' relation between the Gibbs and Einstein approaches and the conceptual distinction between their physical grounds are demonstrated. To illustrate the results, which are valid for any thermodynamic system, an ideal nondegenerate gas of microparticles is considered, both classically and quantum mechanically. Based on the results obtained, the correspondence between the micro- and macroscopic descriptions is considered and the prospects of statistical thermodynamics are discussed. (reviews of topical problems)
Thermal physics kinetic theory and thermodynamics
Singh, Devraj; Yadav, Raja Ram
2016-01-01
THERMAL PHYSICS: Kinetic Theory and Thermodynamics is designed for undergraduate course in Thermal Physics and Thermodynamics. The book provides thorough understanding of the fundamental principles of the concepts in Thermal Physics. The book begins with kinetic theory, then moves on liquefaction, transport phenomena, the zeroth, first, second and third laws, thermodynamics relations and thermal conduction. The book concluded with radiation phenomenon. KEY FEATURES: * Include exercises * Short Answer Type Questions * Long Answer Type Questions * Numerical Problems * Multiple Choice Questions
Studies on the formulation of thermodynamics and stochastic theory for systems far from equilibrium
Energy Technology Data Exchange (ETDEWEB)
Ross, J. [Stanford Univ., CA (United States)
1995-12-31
We have been working for some time on the formulation of thermodynamics and the theory of fluctuations in systems far from equilibrium and progress in several aspects of that development are reported here.
Improved thermodynamics of SU(2) gauge theory
Energy Technology Data Exchange (ETDEWEB)
Giudice, Pietro [University of Muenster, Institute for Theoretical Physics, Muenster (Germany); Piemonte, Stefano [University of Regensburg, Institute for Theoretical Physics, Regensburg (Germany)
2017-12-15
In this work we present the results of our investigation of the thermodynamics of SU(2) gauge theory. We employ a Symanzik improved action to reduce strongly the discretisations effects, and we use the scaling relations to take into account the finite volume effects close to the critical temperature. We determine the β-function for this particular theory and we use it in the determination of different thermodynamic observables. Finally we compare our results with previous work where only the standard Wilson action was considered. We confirm the relevance of using the improved action to access easily the correct continuum thermodynamics of the theory. (orig.)
Remarks on transport theories of interplanetary fluctuations
International Nuclear Information System (INIS)
Ye Zhou; Matthaeus, W.H.
1990-01-01
The structure of approximate transport theories for the radial behavior of interplanetary fluctuations is reconsidered. The emphasis is on theories derived under the assumption of scale separation; i.e., the correlation length of the fluctuations is much less than the scale of large inhomogeneities. In these cases the zero-wavelength limit provides a first approximation to the spectral evolution equations for the radial dependence of interplanetary fluctuation spectra. The goal here is to investigate the structure of a recently presented (Zhou and Matthaeus, 1989) transport theory, in which coupling of inward- and outward-type fluctuations appears in the leading order, an effect the authors call mixing. In linear theory, mixing-type couplings of inward-type and outward-type waves are formally a nonresonant effect. However, leading order mixing terms do not vanish at zero wavelength for fluctuations that vary nearly perpendicular to the local magnetic field, or when the mean magnetic field is weak. Leading order mixing terms also survive when the dispersion relation fails and there is a nonunique relationship between frequency and wave number. The former case corresponds to nearly two-dimensional structures; these are included, for example, in isotropic models of turbulence. The latter instance occurs when wave-wave couplings are sufficiently strong. Thus there are a variety of situations in which leading order mixing effects are expected to be present
Thermodynamics of 2D string theory
International Nuclear Information System (INIS)
Alexandrov, Sergei Yu.; V.A. Fock Department of Theoretical Physics, St. Petersburg University
2003-01-01
We calculate the free energy, energy and entropy in the matrix quantum mechanical formulation of 2D string theory in a background strongly perturbed by tachyons with the imaginary minkowskian momentum ±i/R ('Sine-Liouville' theory). The system shows a thermodynamical behaviour corresponding to the temperature T={1/(2π R)}. We show that the microscopically calculated energy of the system satisfies the usual thermodynamical relations and leads to a non-zero entropy. (author)
Analytical theory of intensity fluctuations in SASE
Energy Technology Data Exchange (ETDEWEB)
Yu, L.H.; Krinsky, S. [Brookhaven National Lab., Upton, NY (United States). National Synchrotron Light Source
1997-07-01
Recent advances in SASE experiments stimulate interest in quantitative comparison of measurements with theory. Extending the previous analysis of the SASE intensity in guided modes, the authors provide an analytical description of the intensity fluctuations by calculating intensity correlation functions in the frequency domain. Comparison of the results with experiment yields new insight into the SASE process.
Spin fluctuation theory of itinerant electron magnetism
Takahashi, Yoshinori
2013-01-01
This volume shows how collective magnetic excitations determine most of the magnetic properties of itinerant electron magnets. Previous theories were mainly restricted to the Curie-Weiss law temperature dependence of magnetic susceptibilities. Based on the spin amplitude conservation idea including the zero-point fluctuation amplitude, this book shows that the entire temperature and magnetic field dependence of magnetization curves, even in the ground state, is determined by the effect of spin fluctuations. It also shows that the theoretical consequences are largely in agreement with many experimental observations. The readers will therefore gain a new comprehensive perspective of their unified understanding of itinerant electron magnetism.
Theory and practice in engineering thermodynamics
International Nuclear Information System (INIS)
Polak, P.
1983-01-01
The book is a new approach to engineering thermodynamics for students of mechanical engineering at diploma and degree levels. There is an explanation of the basic principles of thermodynamics, followed by several chapters illustrating these principles as applied to piston engines, the gas turbine, steam power, and refrigerators and heat pumps. The book aims to introduce some key features of theory and current practice in a way that students will find interesting
Thermodynamic theory of dislocation-enabled plasticity
International Nuclear Information System (INIS)
Langer, J. S.
2017-01-01
The thermodynamic theory of dislocation-enabled plasticity is based on two unconventional hypotheses. The first of these is that a system of dislocations, driven by external forces and irreversibly exchanging heat with its environment, must be characterized by a thermodynamically defined effective temperature that is not the same as the ordinary temperature. The second hypothesis is that the overwhelmingly dominant mechanism controlling plastic deformation is thermally activated depinning of entangled pairs of dislocations. This paper consists of a systematic reformulation of this theory followed by examples of its use in analyses of experimentally observed phenomena including strain hardening, grain-size (Hall-Petch) effects, yielding transitions, and adiabatic shear banding.
Curvature of fluctuation geometry and its implications on Riemannian fluctuation theory
International Nuclear Information System (INIS)
Velazquez, L
2013-01-01
Fluctuation geometry was recently proposed as a counterpart approach of the Riemannian geometry of inference theory (widely known as information geometry). This theory describes the geometric features of the statistical manifold M of random events that are described by a family of continuous distributions dp(x|θ). A main goal of this work is to clarify the statistical relevance of the Levi-Civita curvature tensor R ijkl (x|θ) of the statistical manifold M. For this purpose, the notion of irreducible statistical correlations is introduced. Specifically, a distribution dp(x|θ) exhibits irreducible statistical correlations if every distribution dp(x-check|θ) obtained from dp(x|θ) by considering a coordinate change x-check = φ(x) cannot be factorized into independent distributions as dp(x-check|θ) = prod i dp (i) (x-check i |θ). It is shown that the curvature tensor R ijkl (x|θ) arises as a direct indicator about the existence of irreducible statistical correlations. Moreover, the curvature scalar R(x|θ) allows us to introduce a criterium for the applicability of the Gaussian approximation of a given distribution function. This type of asymptotic result is obtained in the framework of the second-order geometric expansion of the distribution family dp(x|θ), which appears as a counterpart development of the high-order asymptotic theory of statistical estimation. In physics, fluctuation geometry represents the mathematical apparatus of a Riemannian extension for Einstein’s fluctuation theory of statistical mechanics. Some exact results of fluctuation geometry are now employed to derive the invariant fluctuation theorems. Moreover, the curvature scalar allows us to express some asymptotic formulae that account for the system fluctuating behavior beyond the Gaussian approximation, e.g.: it appears as a second-order correction of the Legendre transformation between thermodynamic potentials, P(θ)=θ i x-bar i -s( x-bar |θ)+k 2 R(x|θ)/6. (paper)
International Nuclear Information System (INIS)
Lim, Gyeong Hui
2008-03-01
This book consists of 15 chapters, which are basic conception and meaning of statistical thermodynamics, Maxwell-Boltzmann's statistics, ensemble, thermodynamics function and fluctuation, statistical dynamics with independent particle system, ideal molecular system, chemical equilibrium and chemical reaction rate in ideal gas mixture, classical statistical thermodynamics, ideal lattice model, lattice statistics and nonideal lattice model, imperfect gas theory on liquid, theory on solution, statistical thermodynamics of interface, statistical thermodynamics of a high molecule system and quantum statistics
Thermodynamics and the structure of quantum theory
International Nuclear Information System (INIS)
Krumm, Marius; Müller, Markus P; Barnum, Howard; Barrett, Jonathan
2017-01-01
Despite its enormous empirical success, the formalism of quantum theory still raises fundamental questions: why is nature described in terms of complex Hilbert spaces, and what modifications of it could we reasonably expect to find in some regimes of physics? Here we address these questions by studying how compatibility with thermodynamics constrains the structure of quantum theory. We employ two postulates that any probabilistic theory with reasonable thermodynamic behaviour should arguably satisfy. In the framework of generalised probabilistic theories, we show that these postulates already imply important aspects of quantum theory, like self-duality and analogues of projective measurements, subspaces and eigenvalues. However, they may still admit a class of theories beyond quantum mechanics. Using a thought experiment by von Neumann, we show that these theories admit a consistent thermodynamic notion of entropy, and prove that the second law holds for projective measurements and mixing procedures. Furthermore, we study additional entropy-like quantities based on measurement probabilities and convex decomposition probabilities, and uncover a relation between one of these quantities and Sorkin’s notion of higher-order interference. (paper)
Effects of thermal fluctuations on the thermodynamics of modified Hayward black hole
Energy Technology Data Exchange (ETDEWEB)
Pourhassan, Behnam [Damghan University, School of Physics, Damghan (Iran, Islamic Republic of); Faizal, Mir [University of Lethbridge, Department of Physics and Astronomy, Lethbridge, AB (Canada); Debnath, Ujjal [Indian Institute of Engineering Science and Technology, Shibpur, Department of Mathematics, Howrah (India)
2016-03-15
In this work, we analyze the effects of thermal fluctuations on the thermodynamics of a modified Hayward black hole. These thermal fluctuations will produce correction terms for various thermodynamical quantities like entropy, pressure, internal energy, and specific heats. We also investigate the effect of these correction terms on the first law of thermodynamics. Finally, we study the phase transition for the modified Hayward black hole. It is demonstrated that the modified Hayward black hole is stable even after the thermal fluctuations are taken into account, as long as the event horizon is larger than a certain critical value. (orig.)
Introduction to the Molecular Theory of Thermodynamics.
Davis, H. Ted
1979-01-01
Described is the first quarter of a three quarter graduate course for the general engineering student on the molecular theory of thermodynamics and transport phenomena at the University of Minnesota. Three sections from the course, considered to exemplify its spirit and substance, are presented. (BT)
Macroscopic Theory for Evolving Biological Systems Akin to Thermodynamics.
Kaneko, Kunihiko; Furusawa, Chikara
2018-05-20
We present a macroscopic theory to characterize the plasticity, robustness, and evolvability of biological responses and their fluctuations. First, linear approximation in intracellular reaction dynamics is used to demonstrate proportional changes in the expression of all cellular components in response to a given environmental stress, with the proportion coefficient determined by the change in growth rate as a consequence of the steady growth of cells. We further demonstrate that this relationship is supported through adaptation experiments of bacteria, perhaps too well as this proportionality is held even across cultures of different types of conditions. On the basis of simulations of cell models, we further show that this global proportionality is a consequence of evolution in which expression changes in response to environmental or genetic perturbations are constrained along a unique one-dimensional curve, which is a result of evolutionary robustness. It then follows that the expression changes induced by environmental changes are proportionally reduced across different components of a cell by evolution, which is akin to the Le Chatelier thermodynamics principle. Finally, with the aid of a fluctuation-response relationship, this proportionality is shown to hold between fluctuations caused by genetic changes and those caused by noise. Overall, these results and support from the theoretical and experimental literature suggest a formulation of cellular systems akin to thermodynamics, in which a macroscopic potential is given by the growth rate (or fitness) represented as a function of environmental and evolutionary changes.
Queues and Lévy fluctuation theory
Dębicki, Krzysztof
2015-01-01
The book provides an extensive introduction to queueing models driven by Lévy-processes as well as a systematic account of the literature on Lévy-driven queues. The objective is to make the reader familiar with the wide set of probabilistic techniques that have been developed over the past decades, including transform-based techniques, martingales, rate-conservation arguments, change-of-measure, importance sampling, and large deviations. On the application side, it demonstrates how Lévy traffic models arise when modelling current queueing-type systems (as communication networks) and includes applications to finance. Queues and Lévy Fluctuation Theory will appeal to graduate/postgraduate students and researchers in mathematics, computer science, and electrical engineering. Basic prerequisites are probability theory and stochastic processes.
Ruppeiner theory of black hole thermodynamics
International Nuclear Information System (INIS)
Aman, Jan E; Bedford, James; Grumiller, Daniel; Pidokrajt, Narit; Ward, John
2007-01-01
The Ruppeiner metric as determined by the Hessian of the Gibbs surface provides a geometric description of thermodynamic systems in equilibrium. An interesting example is a black hole in equilibrium with its own Hawking radiation. In this article, we present results from the Ruppeiner study of various black hole families from different gravity theories e.g. 2D dilaton gravity, BTZ, general relativity and higher-dimensional Einstein-Maxwell gravity
Non-hard sphere thermodynamic perturbation theory.
Zhou, Shiqi
2011-08-21
A non-hard sphere (HS) perturbation scheme, recently advanced by the present author, is elaborated for several technical matters, which are key mathematical details for implementation of the non-HS perturbation scheme in a coupling parameter expansion (CPE) thermodynamic perturbation framework. NVT-Monte Carlo simulation is carried out for a generalized Lennard-Jones (LJ) 2n-n potential to obtain routine thermodynamic quantities such as excess internal energy, pressure, excess chemical potential, excess Helmholtz free energy, and excess constant volume heat capacity. Then, these new simulation data, and available simulation data in literatures about a hard core attractive Yukawa fluid and a Sutherland fluid, are used to test the non-HS CPE 3rd-order thermodynamic perturbation theory (TPT) and give a comparison between the non-HS CPE 3rd-order TPT and other theoretical approaches. It is indicated that the non-HS CPE 3rd-order TPT is superior to other traditional TPT such as van der Waals/HS (vdW/HS), perturbation theory 2 (PT2)/HS, and vdW/Yukawa (vdW/Y) theory or analytical equation of state such as mean spherical approximation (MSA)-equation of state and is at least comparable to several currently the most accurate Ornstein-Zernike integral equation theories. It is discovered that three technical issues, i.e., opening up new bridge function approximation for the reference potential, choosing proper reference potential, and/or using proper thermodynamic route for calculation of f(ex-ref), chiefly decide the quality of the non-HS CPE TPT. Considering that the non-HS perturbation scheme applies for a wide variety of model fluids, and its implementation in the CPE thermodynamic perturbation framework is amenable to high-order truncation, the non-HS CPE 3rd-order or higher order TPT will be more promising once the above-mentioned three technological advances are established. © 2011 American Institute of Physics
Evans, Denis James; Williams, Stephen Rodney
2016-01-01
Both a comprehensive overview and a treatment at the appropriate level of detail, this textbook explains thermodynamics and generalizes the subject so it can be applied to small nano- or biosystems, arbitrarily far from or close to equilibrium. In addition, nonequilibrium free energy theorems are covered with a rigorous exposition of each one. Throughout, the authors stress the physical concepts along with the mathematical derivations. For researchers and students in physics, chemistry, materials science and molecular biology, this is a useful text for postgraduate courses in statistical mechanics, thermodynamics and molecular simulations, while equally serving as a reference for university teachers and researchers in these fields.
Modeling thermodynamic distance, curvature and fluctuations a geometric approach
Badescu, Viorel
2016-01-01
This textbook aims to briefly outline the main directions in which the geometrization of thermodynamics has been developed in the last decades. The textbook is accessible to people trained in thermal sciences but not necessarily with solid formation in mathematics. For this, in the first chapters a summary of the main mathematical concepts is made. In some sense, this makes the textbook self-consistent. The rest of the textbook consists of a collection of results previously obtained in this young branch of thermodynamics. The manner of presentation used throughout the textbook is adapted for ease of access of readers with education in natural and technical sciences.
Equilibrium thermodynamics in modified gravitational theories
International Nuclear Information System (INIS)
Bamba, Kazuharu; Geng, C.-Q.; Tsujikawa, Shinji
2010-01-01
We show that it is possible to obtain a picture of equilibrium thermodynamics on the apparent horizon in the expanding cosmological background for a wide class of modified gravity theories with the Lagrangian density f(R,φ,X), where R is the Ricci scalar and X is the kinetic energy of a scalar field φ. This comes from a suitable definition of an energy-momentum tensor of the 'dark' component that respects to a local energy conservation in the Jordan frame. In this framework the horizon entropy S corresponding to equilibrium thermodynamics is equal to a quarter of the horizon area A in units of gravitational constant G, as in Einstein gravity. For a flat cosmological background with a decreasing Hubble parameter, S globally increases with time, as it happens for viable f(R) inflation and dark energy models. We also show that the equilibrium description in terms of the horizon entropy S is convenient because it takes into account the contribution of both the horizon entropy S in non-equilibrium thermodynamics and an entropy production term.
The fluctuation theory of the stellar mass loss
International Nuclear Information System (INIS)
Andriesse, C.D.
1981-01-01
The idea that fluctuations in the mass flow are as significant as the very existence of the flow has led to the development of a fluctuation theory of the stellar mass loss. A general theory for fluctuations in non-equilibrium systems - and such are stellar atmospheres - was developed long ago. In developing the general theory to a specific stellar theory, however, the arguments have not come up in their logical order. The present sketch of this theory improves on that order and is offered as a framework for further study. (Auth.)
Energy Technology Data Exchange (ETDEWEB)
Illuminati, Fabrizio [Institut fuer Physik, Universitaet Potsdam, Am Neuen Palais 10, D-14415, Potsdam (Germany); Dipartimento di Fisica, Universita di Salerno, and INFM, Unita di Salerno, I-84081 Baronissi SA (Italy); Navez, Patrick [Institut fuer Physik, Universitaet Potsdam, Am Neuen Palais 10, D-14415, Potsdam (Germany); Institute of Materials Science, Demokritos NCSR, POB 60228, 15310 Athens (Greece); Wilkens, Martin [Institut fuer Physik, Universitaet Potsdam, Am Neuen Palais 10, D-14415, Potsdam (Germany)
1999-08-14
We derive exact thermodynamic identities relating the average number of condensed atoms and the root-mean-square fluctuations determined in different statistical ensembles for the weakly interacting Bose gas confined in a box. This is achieved by introducing the concept of auxiliary partition functions for model Hamiltonians that do conserve the total number of particles. Exploiting such thermodynamic identities, we provide the first, completely analytical prediction of the microcanonical particle number fluctuations in the weakly interacting Bose gas. Such fluctuations, as a function of the volume V of the box are found to behave normally, in contrast with the anomalous scaling behaviour V{sup 4/3} of the fluctuations in the ideal Bose gas. (author). Letter-to-the-editor.
Kulasiri, Don
2011-01-01
We discuss the quantification of molecular fluctuations in the biochemical reaction systems within the context of intracellular processes associated with gene expression. We take the molecular reactions pertaining to circadian rhythms to develop models of molecular fluctuations in this chapter. There are a significant number of studies on stochastic fluctuations in intracellular genetic regulatory networks based on single cell-level experiments. In order to understand the fluctuations associated with the gene expression in circadian rhythm networks, it is important to model the interactions of transcriptional factors with the E-boxes in the promoter regions of some of the genes. The pertinent aspects of a near-equilibrium theory that would integrate the thermodynamical and particle dynamic characteristics of intracellular molecular fluctuations would be discussed, and the theory is extended by using the theory of stochastic differential equations. We then model the fluctuations associated with the promoter regions using general mathematical settings. We implemented ubiquitous Gillespie's algorithms, which are used to simulate stochasticity in biochemical networks, for each of the motifs. Both the theory and the Gillespie's algorithms gave the same results in terms of the time evolution of means and variances of molecular numbers. As biochemical reactions occur far away from equilibrium-hence the use of the Gillespie algorithm-these results suggest that the near-equilibrium theory should be a good approximation for some of the biochemical reactions. © 2011 Elsevier Inc. All rights reserved.
Relativistic thermodynamics and kinetic theory, with applications to cosmology
International Nuclear Information System (INIS)
Stewart, J.M.
1973-01-01
The discussion of relativistic thermodynamics and kinetic theory with applications to cosmology also covers the fundamentals and nonequilibrium relativistic kinetic theory and applications to cosmology and astrophysics. (U.S.)
1/ f noise from the laws of thermodynamics for finite-size fluctuations.
Chamberlin, Ralph V; Nasir, Derek M
2014-07-01
Computer simulations of the Ising model exhibit white noise if thermal fluctuations are governed by Boltzmann's factor alone; whereas we find that the same model exhibits 1/f noise if Boltzmann's factor is extended to include local alignment entropy to all orders. We show that this nonlinear correction maintains maximum entropy during equilibrium fluctuations. Indeed, as with the usual way to resolve Gibbs' paradox that avoids entropy reduction during reversible processes, the correction yields the statistics of indistinguishable particles. The correction also ensures conservation of energy if an instantaneous contribution from local entropy is included. Thus, a common mechanism for 1/f noise comes from assuming that finite-size fluctuations strictly obey the laws of thermodynamics, even in small parts of a large system. Empirical evidence for the model comes from its ability to match the measured temperature dependence of the spectral-density exponents in several metals and to show non-Gaussian fluctuations characteristic of nanoscale systems.
Kobayashi, Tetsuya J.; Sughiyama, Yuki
2017-07-01
Adaptation in a fluctuating environment is a process of fueling environmental information to gain fitness. Living systems have gradually developed strategies for adaptation from random and passive diversification of the phenotype to more proactive decision making, in which environmental information is sensed and exploited more actively and effectively. Understanding the fundamental relation between fitness and information is therefore crucial to clarify the limits and universal properties of adaptation. In this work, we elucidate the underlying stochastic and information-thermodynamic structure in this process, by deriving causal fluctuation relations (FRs) of fitness and information. Combined with a duality between phenotypic and environmental dynamics, the FRs reveal the limit of fitness gain, the relation of time reversibility with the achievability of the limit, and the possibility and condition for gaining excess fitness due to environmental fluctuation. The loss of fitness due to causal constraints and the limited capacity of real organisms is shown to be the difference between time-forward and time-backward path probabilities of phenotypic and environmental dynamics. Furthermore, the FRs generalize the concept of the evolutionary stable state (ESS) for fluctuating environment by giving the probability that the optimal strategy on average can be invaded by a suboptimal one owing to rare environmental fluctuation. These results clarify the information-thermodynamic structures in adaptation and evolution.
Fluctuations and thermodynamic response functions in a Lennard-Jones solid
International Nuclear Information System (INIS)
Li, M.; Johnson, W.L.
1992-01-01
Thermodynamic response functions of a nearest-neighbor Lennard-Jones solid--heat capacity, thermal-expansion coefficient, compressibility, and elastic constants--are calculated directly from fluctuations using molecular-dynamics simulations. The algorithm used is the earlier Parrinello-Rahman molecular dynamics modified to take into account symmetry and rotation invariance of the system under investigation. The convergence is very fast and results are in good agreement with existing Monte Carlo and molecular-dynamics results
Nonequilibrium thermodynamics and information theory: basic concepts and relaxing dynamics
International Nuclear Information System (INIS)
Altaner, Bernhard
2017-01-01
Thermodynamics is based on the notions of energy and entropy. While energy is the elementary quantity governing physical dynamics, entropy is the fundamental concept in information theory. In this work, starting from first principles, we give a detailed didactic account on the relations between energy and entropy and thus physics and information theory. We show that thermodynamic process inequalities, like the second law, are equivalent to the requirement that an effective description for physical dynamics is strongly relaxing. From the perspective of information theory, strongly relaxing dynamics govern the irreversible convergence of a statistical ensemble towards the maximally non-commital probability distribution that is compatible with thermodynamic equilibrium parameters. In particular, Markov processes that converge to a thermodynamic equilibrium state are strongly relaxing. Our framework generalizes previous results to arbitrary open and driven systems, yielding novel thermodynamic bounds for idealized and real processes. (paper)
Ehteshami, Hossein; Korzhavyi, Pavel A.
2017-12-01
First-principles-based thermodynamic modeling of cubic α and β phases of Mn represent a challenge due to their structural complexity and the necessity of simultaneous treatment of several types of disorder (electronic, magnetic, and vibrational) that have very different characteristic time scales. Here we employ mean-field theoretical models to describe the different types of disorder and then we connect each layer of theory to the others using the adiabatic principle of separating faster and slower degrees of freedom. The slowest (vibrational) degrees of freedom are treated using the Moruzzi, Janak, and Schwarz formalism [Phys. Rev. B 37, 790 (1988), 10.1103/PhysRevB.37.790] of the Debye-Grüneisen model parametrized based on the first-principles calculated equation of state which includes the free-energy contributions due to the fast (electronic and magnetic) degrees of freedom via the Fermi-Dirac distribution function and a mean-field theory of transverse spin fluctuations. The magnetic contribution due to transverse spin fluctuations has been computed self-consistently within the disordered local moment picture of the paramagnetic state. The obtained results for thermodynamic properties such as lattice parameter, linear thermal expansion coefficient, and heat capacity of both phases show a good agreement with available experimental data. We also tested the assumption about the nature (localized versus delocalized) of magnetic moment on site IV in α -Mn and site I in β -Mn on the thermodynamic properties of these two phases. Similar to the findings of experimental studies, we conclude that magnetic moment on site IV in α -Mn is not of a localized character. However, a similar analysis suggests that the magnetic moment of site I in β -Mn should be treated as localized.
Topology of microwave background fluctuations - Theory
Gott, J. Richard, III; Park, Changbom; Bies, William E.; Bennett, David P.; Juszkiewicz, Roman
1990-01-01
Topological measures are used to characterize the microwave background temperature fluctuations produced by 'standard' scenarios (Gaussian) and by cosmic strings (non-Gaussian). Three topological quantities: total area of the excursion regions, total length, and total curvature (genus) of the isotemperature contours, are studied for simulated Gaussian microwave background anisotropy maps and then compared with those of the non-Gaussian anisotropy pattern produced by cosmic strings. In general, the temperature gradient field shows the non-Gaussian behavior of the string map more distinctively than the temperature field for all topology measures. The total contour length and the genus are found to be more sensitive to the existence of a stringy pattern than the usual temperature histogram. Situations when instrumental noise is superposed on the map, are considered to find the critical signal-to-noise ratio for which strings can be detected.
BULK THERMODYNAMICS AND CHARGE FLUCTUATIONS AT NON-VANISHING BARYON DENSITY
International Nuclear Information System (INIS)
MIAO, C.; SCHMIDT, C.
2007-01-01
We present results on bulk thermodynamic quantities as well as net baryon number, strangeness and electric charge fluctuations in QCD at non-zero density and temperature obtained from lattice calculations with almost physical quark masses for two values of the lattice cut-off aT = 1/4 and 1/6. We show that with our improved p4fa3-action the cut-off effects are under control when using lattices with a temporal extent of 6 or larger and that the contribution to the equation of state, which is due to a finite chemical potential is small for μ q /T < 1. Moreover, at vanishing chemical potential, i.e. under conditions almost realized at RHIC and the LHC, quartic fluctuations of net baryon number and strangeness are large in a narrow temperature interval characterizing the transition region from the low to high temperature phase. At non-zero baryon number density, strangeness fluctuations are enhanced and correlated to fluctuations of the net baryon number. If strangeness is furthermore forced to vanish, as it may be the case in systems created in heavy ion collisions, strangeness fluctuations are significantly smaller than baryon number fluctuations
Thermodynamics of perfect fluids from scalar field theory
Ballesteros, Guillermo; Pilo, Luigi
2016-01-01
The low-energy dynamics of relativistic continuous media is given by a shift-symmetric effective theory of four scalar fields. These scalars describe the embedding in spacetime of the medium and play the role of Stuckelberg fields for spontaneously broken spatial and time translations. Perfect fluids are selected imposing a stronger symmetry group or reducing the field content to a single scalar. We explore the relation between the field theory description of perfect fluids to thermodynamics. By drawing the correspondence between the allowed operators at leading order in derivatives and the thermodynamic variables, we find that a complete thermodynamic picture requires the four Stuckelberg fields. We show that thermodynamic stability plus the null energy condition imply dynamical stability. We also argue that a consistent thermodynamic interpretation is not possible if any of the shift symmetries is explicitly broken.
Symmetry breaking due to quantum fluctuations in massless field theories
International Nuclear Information System (INIS)
Ghose, P.; Datta, A.
1977-10-01
It is shown that quantum fluctuations can act as the driving mechanism for the spontaneous breakdown of both scale and the discrete phi→-phi symmetries in a lamdaphi 4 theory which is massless and scale invariant in the tree approximation. Consequently dimensional transformation occurs and the dimensionless and only parameter lambda in the theory is fixed and replaced by the vacuum expectation value of the field. These results are shown to be consistent with the appropriate renormalization group equation for the theory. A scalar electrodynamics which is massless and scale invariant in the tree approximation is also considered, and it is shown that the Higgs meson in such a theory is much heavier than the vector meson for small values of the gauge coupling constant e. Another interesting consequence of such a theory is that it possesses vortex-line solutions only when quantum fluctuations are taken into account
Work fluctuation theorems and free energy from kinetic theory
Brey, J. Javier; Ruiz-Montero, M. J.; Domínguez, Álvaro
2018-01-01
The formulation of the first and second principles of thermodynamics for a particle in contact with a heat bath and submitted to an external force is analyzed, by means of the Boltzmann-Lorentz kinetic equation. The possible definitions of the thermodynamic quantities are discussed in the light of the H theorem verified by the distribution of the particle. The work fluctuation relations formulated by Bochkov and Kuzovlev, and by Jarzynski, respectively, are derived from the kinetic equation. In addition, particle simulations using both the direct simulation Monte Carlo method and molecular dynamics, are used to investigate the practical accuracy of the results. Work distributions are also measured, and they turn out to be rather complex. On the other hand, they seem to depend very little, if any, on the interaction potential between the intruder and the bath.
International Nuclear Information System (INIS)
Pal, Krishnendu; Das, Biswajit; Banerjee, Kinshuk; Gangopadhyay, Gautam
2015-01-01
We have introduced an approach to nonequilibrium thermodynamics of an open chemical reaction network in terms of the propensities of the individual elementary reactions and the corresponding reverse reactions. The method is a microscopic formulation of the dissipation function in terms of the relative entropy or Kullback-Leibler distance which is based on the analogy of phase space trajectory with the path of elementary reactions in a network of chemical process. We have introduced here a fluctuation theorem valid for each opposite pair of elementary reactions which is useful in determining the contribution of each sub-reaction on the nonequilibrium thermodynamics of overall reaction. The methodology is applied to an oligomeric enzyme kinetics at a chemiostatic condition that leads the reaction to a nonequilibrium steady state for which we have estimated how each step of the reaction is energy driven or entropy driven to contribute to the overall reaction. (paper)
Giona, Massimiliano; Brasiello, Antonio; Crescitelli, Silvestro
2017-07-01
We analyze the thermodynamic properties of stochastic differential equations driven by smooth Poisson-Kac fluctuations, and their convergence, in the Kac limit, towards Wiener-driven Langevin equations. Using a Markovian embedding of the stochastic work variable, it is proved that the Kac-limit convergence implies a Stratonovich formulation of the limit Langevin equations, in accordance with the Wong-Zakai theorem. Exact moment analysis applied to the case of a purely frictional system shows the occurrence of different regimes and crossover phenomena in the parameter space.
Fluctuation and dissipation in nonequilibrium quantum field theory
International Nuclear Information System (INIS)
Ramos, Rudnei O.
1994-01-01
The nonequilibrium dynamics of a scalar field is studied using perturbation theory and a real time finite temperature formulation. The evolution equation for the scalar field is explicitly obtained, and terms responsible for noise (fluctuations) and dissipation are identified and studied in the high temperature limit. (author)
Communication: Mechanochemical fluctuation theorem and thermodynamics of self-phoretic motors
Gaspard, Pierre; Kapral, Raymond
2017-12-01
Microscopic dynamical aspects of the propulsion of nanomotors by self-phoretic mechanisms are considered. Propulsion by self-diffusiophoresis relies on the mechanochemical coupling between the fluid velocity field and the concentration fields induced by asymmetric catalytic reactions on the motor surface. The consistency between the thermodynamics of this coupling and the microscopic reversibility of the underlying molecular dynamics is investigated. For this purpose, a mechanochemical fluctuation theorem for the joint probability to find the motor at position r after n reactive events have occurred during the time interval t is derived, starting from coupled Langevin equations for the translational, rotational, and chemical fluctuations of self-phoretic motors. An important result that follows from this analysis is the identification of an effect that is reciprocal to self-propulsion by diffusiophoresis, which leads to a dependence of the reaction rate on the value of an externally applied force.
[Thermodynamic theory of evolution and aging].
Gladyshev, G P
2012-01-01
Life in the Universe emerges and develops under certain conditions in accordance with the general laws of nature, in particular, in accordance with the law of temporal hierarchies, the second law of thermodynamics and the principle of stability of matter. Biological evolution and organism's aging are accompanied by a change in the chemical and supramolecular compositions of living bodies. As shown by the author in 1977 these well-known changes have the thermodynamic nature (origin). Phenomenological hierarchical thermodynamics of near-equilibrium quasi-closed systems allows us to explain and predict the evolutionary transformation in the living world. From a viewpoint of power-consuming substance of biological objects the phenomenon of life, first, is the struggle for power-consuming chemicals. The accumulation of this substance in biological systems is associated with the aspiration of the specific Gibbs function of formation of supramolecular structures of living organisms to a minimum. The development of classical science opens up new horizons to explore the real world and contributes to the success of gerontology and geriatrics. This paper is a brief review containing new results.
Generalized second law of thermodynamic in modified teleparallel theory
Energy Technology Data Exchange (ETDEWEB)
Zubair, M. [COMSATS Institute of Information Technology, Department of Mathematics, Lahore (Pakistan); Bahamonde, Sebastian [University College London, Department of Mathematics, London (United Kingdom); Jamil, Mubasher [National University of Sciences and Technology (NUST), Department of Mathematics, School of Natural Sciences (SNS), Islamabad (Pakistan)
2017-07-15
This study is conducted to examine the validity of the generalized second law of thermodynamics (GSLT) in flat FRW for modified teleparallel gravity involving coupling between a scalar field with the torsion scalar T and the boundary term B = 2∇{sub μ}T{sup μ}. This theory is very useful, since it can reproduce other important well-known scalar field theories in suitable limits. The validity of the first and second law of thermodynamics at the apparent horizon is discussed for any coupling. As examples, we have also explored the validity of those thermodynamics laws in some new cosmological solutions under the theory. Additionally, we have also considered the logarithmic entropy corrected relation and discuss the GSLT at the apparent horizon. (orig.)
Generalized second law of thermodynamic in modified teleparallel theory
International Nuclear Information System (INIS)
Zubair, M.; Bahamonde, Sebastian; Jamil, Mubasher
2017-01-01
This study is conducted to examine the validity of the generalized second law of thermodynamics (GSLT) in flat FRW for modified teleparallel gravity involving coupling between a scalar field with the torsion scalar T and the boundary term B = 2∇ μ T μ . This theory is very useful, since it can reproduce other important well-known scalar field theories in suitable limits. The validity of the first and second law of thermodynamics at the apparent horizon is discussed for any coupling. As examples, we have also explored the validity of those thermodynamics laws in some new cosmological solutions under the theory. Additionally, we have also considered the logarithmic entropy corrected relation and discuss the GSLT at the apparent horizon. (orig.)
Extended Thermodynamics: a Theory of Symmetric Hyperbolic Field Equations
Müller, Ingo
2008-12-01
Extended thermodynamics is based on a set of equations of balance which are supplemented by local and instantaneous constitutive equations so that the field equations are quasi-linear first order differential equations. If the constitutive functions are subject to the requirements of the entropy principle, one may write them in symmetric hyperbolic form by a suitable choice of fields. The kinetic theory of gases, or the moment theories based on the Boltzmann equation provide an explicit example for extended thermodynamics. The theory proves its usefulness and practicality in the successful treatment of light scattering in rarefied gases. This presentation is based upon the book [1] of which the author of this paper is a co-author. For more details about the motivation and exploitation of the basic principles the interested reader is referred to that reference. It would seem that extended thermodynamics is worthy of the attention of mathematicians. It may offer them a non-trivial field of study concerning hyperbolic equations, if ever they get tired of the Burgers equation. Physicists may prefer to appreciate the success of extended thermodynamics in light scattering and to work on the open problems concerning the modification of the Navier-Stokes-Fourier theory in rarefied gases as predicted by extended thermodynamics of 13, 14, and more moments.
Thermodynamic theory of transport in magnetized plasmas
International Nuclear Information System (INIS)
Misguich, J.H.
1990-10-01
Transport laws relating thermodynamic flows to forces by means of transport coefficients in a magnetized plasma are derived here from basic plasmadynamics and nonequilibrium thermodynamics. Macroscopic balance equations are derived in the first part, taking into account the energy of relative diffusion between species in an exact way. The resulting plasmadynamical equations appear to be more general than the usual ones. In the second part, the particular features of a two-temperature diffusing plasma are taken into account in deriving the balance equation for the entropy density, the differences with thermodynamics of neutral fluid mixtures or metals are explained. The general expressions obtained for the entropy production rate are used in part III to derive transport laws. Onsager symmetry relations are applied to interrelate crossed transport coefficients. Basic transport coefficients are the electrical conductivity, the thermo-electric coefficient, along with the thermal conductivities and the viscosities for each species. The slight difference between thermo-electric effect and thermo-diffusion is explained. An important resistive thermo-electric effect appears which describes crossed transport coefficients between thermal and electric flows. Because of the anisotropy introduced by the magnetic field, the transport coefficients are tensors, with non diagonal elements associated with the Hall, Nernst and Ettinghausen effects in the plasma. The field geometry and applications to several particular cases are treated explicitly in part IV, namely the neo-classical transport laws. The Ettinghausen effect appears to play an important role in the transport laws for radial electron heat flow and particle flow in confined plasmas. Practical prescriptions are given to apply the Onsager symmetry relations in a correct way
Kompanichenko, Vladimir
Thermodynamic and physico-chemical fluctuations in the medium seem are the necessary factor for the origin of life. Fluctuations are usual phenomena in hydrothermal systems including their outcrops in ocean or terrestrial groundwater aquifers. Investigation of the fluctuations regimes in natural hydrothermal systems can be used in advanced laboratory experiments on prebiotic organic synthesis under changeable conditions. To characterize a scale of the thermodynamic and physic-chemical fluctuations four hydrothermal systems were explored: several terrestrial hydrothermal systems, primarily on the Russian Far East. Temperature of water and water-steam mixture (from boreholes) in Mutnovsky and Pauzhetsky hydrothermal fields (Kamchatka peninsula) ranges from less than 100 o C up to 240 o C. Water from Kuldur thermal basin (in-tracontinental part of the Russian Far East) is characterized with the lower temperature: 60-70 o C. Data of monitoring of pressure, temperature and some chemical parameters in the boreholes of these fields were mathematically processed. Periods of long-range macrofluctuations of pres-sure and temperature in Mutnovsky and Kuldur fields are 2-4.5 months, maximum amplitudes of temperature in the wells' orifices are 53o C and 9 o C correspondingly, maximum amplitude of pressure in Mutnovsky field 34 bars. Periods of minioscillations are from 10 to 70 minutes in Mutnovsky and Pauzhetsky fields, average amplitudes of pressure are 0.2-0.7 bars. These data are comparable with similar data from Mura basin in Slovenia: amplitudes of temperature and pH minioscillations are about 1-2o C and 0.2 correspondingly; there exists strict positive correlation of temperature with pH, K+, Na+, Ca2+, HCO3-, SO42-, Cl-, F-, but concentra-tions of Mg2+, NH4+, CO2 change independently (Kralj, 2000).. The general conclusion is that minifluctuations of thermodynamic and physic-chemical parameters in hydrothermal sys-tems are usual phenomenon. From time to time the
Molecular Thermodynamic Modeling of Fluctuation Solution Theory Properties
DEFF Research Database (Denmark)
O’Connell, John P.; Abildskov, Jens
2013-01-01
for densities and gas solubilities, including ionic liquids and complex mixtures such as coal liquids. The approach is especially useful in systems with strong nonidealities. This chapter describes successful application of such modeling to a wide variety of systems treated over several decades and suggests how...
General framework for fluctuating dynamic density functional theory
Durán-Olivencia, Miguel A.; Yatsyshin, Peter; Goddard, Benjamin D.; Kalliadasis, Serafim
2017-12-01
We introduce a versatile bottom-up derivation of a formal theoretical framework to describe (passive) soft-matter systems out of equilibrium subject to fluctuations. We provide a unique connection between the constituent-particle dynamics of real systems and the time evolution equation of their measurable (coarse-grained) quantities, such as local density and velocity. The starting point is the full Hamiltonian description of a system of colloidal particles immersed in a fluid of identical bath particles. Then, we average out the bath via Zwanzig’s projection-operator techniques and obtain the stochastic Langevin equations governing the colloidal-particle dynamics. Introducing the appropriate definition of the local number and momentum density fields yields a generalisation of the Dean-Kawasaki (DK) model, which resembles the stochastic Navier-Stokes description of a fluid. Nevertheless, the DK equation still contains all the microscopic information and, for that reason, does not represent the dynamical law of observable quantities. We address this controversial feature of the DK description by carrying out a nonequilibrium ensemble average. Adopting a natural decomposition into local-equilibrium and nonequilibrium contribution, where the former is related to a generalised version of the canonical distribution, we finally obtain the fluctuating-hydrodynamic equation governing the time-evolution of the mesoscopic density and momentum fields. Along the way, we outline the connection between the ad hoc energy functional introduced in previous DK derivations and the free-energy functional from classical density-functional theory. The resultant equation has the structure of a dynamical density-functional theory (DDFT) with an additional fluctuating force coming from the random interactions with the bath. We show that our fluctuating DDFT formalism corresponds to a particular version of the fluctuating Navier-Stokes equations, originally derived by Landau and Lifshitz
International Nuclear Information System (INIS)
Yung Moo Huh
2001-01-01
Thermodynamics has been studied systematically for the high temperature cuprate superconductor La 2-x Sr x CuO 4-δ , La-214, in the entire superconductive region from strongly underdoped to strongly overdoped regimes. Magnetization studies with H(parallel)c have been made in order to investigate the changes in free energy of the system as the number of carriers is reduced. Above the superconducting transition temperature, the normal-state magnetization exhibits a two-dimensional Heisenberg antiferromagnetic behavior. Below T c , magnetization data are thermodynamically reversible over large portions of the H-T plane, so the free energy is well defined in these regions. As the Sr concentration is varied over the wide range from 0.060 (strongly underdoped) to 0.234 (strongly overdoped), the free energy change goes through a maximum at the optimum doped in a manner similar to the T c0 vs. x curve. The density of states, N(0), remains nearly constant in the overdoped and optimum doped regimes, taking a broad maximum around x = 0.188, and then drops abruptly towards zero in the underdoped regime. The La 2-x Sr x CuO 4 (La-214) system displays the fluctuating vortex behavior with the characteristic of either 2D or 3D fluctuations as indicated by clearly identifiable crossing points T* close to T c . The dimensional character of the fluctuations depends on both applied magnetic fields and the density of charge carriers. The dimensional crossover from 2D to 3D occurs in the strongly underdoped regime when the c-axis coherence distance ζ c becomes comparable to the spacing between adjacent CuO 2 layers s at sufficiently high magnetic fields near H c2
International Nuclear Information System (INIS)
Finnemore, Douglas K.
2001-01-01
Thermodynamics has been studied systematically for the high temperature cuprate superconductor La 2-x Sr x CuO 4-δ , La-214, in the entire superconductive region from strongly underdoped to strongly overdoped regimes. Magnetization studies with H (parallel) c have been made in order to investigate the changes in free energy of the system as the number of carriers is reduced. Above the superconducting transition temperature, the normal-state magnetization exhibits a two-dimensional Heisenberg antiferromagnetic behavior. Below T c , magnetization data are thermodynamically reversible over large portions of the H-T plane, so the free energy is well defined in these regions. As the Sr concentration is varied over the wide range from 0.060 (strongly underdoped) to 0.234 (strongly overdoped), the free energy change goes through a maximum at the optimum doped in a manner similar to the T c0 vs. x curve. The density of states, N(0), remains nearly constant in the overdoped and optimum doped regimes, taking a broad maximum around x = 0.188, and then drops abruptly towards zero in the underdoped regime. The La 2-x Sr x CuO 4 (La-214) system displays the fluctuating vortex behavior with the characteristic of either 2D or 3D fluctuations as indicated by clearly identifiable crossing points T* close to T c . The dimensional character of the fluctuations depends on both applied magnetic fields and the density of charge carriers. The dimensional crossover from 2D to 3D occurs in the strongly underdoped regime when the c-axis coherence distance ξ c becomes comparable to the spacing between adjacent CuO 2 layers s at sufficiently high magnetic field near H c2
Nonequilibrium thermodynamics and information theory: basic concepts and relaxing dynamics
Altaner, Bernhard
2017-11-01
Thermodynamics is based on the notions of energy and entropy. While energy is the elementary quantity governing physical dynamics, entropy is the fundamental concept in information theory. In this work, starting from first principles, we give a detailed didactic account on the relations between energy and entropy and thus physics and information theory. We show that thermodynamic process inequalities, like the second law, are equivalent to the requirement that an effective description for physical dynamics is strongly relaxing. From the perspective of information theory, strongly relaxing dynamics govern the irreversible convergence of a statistical ensemble towards the maximally non-commital probability distribution that is compatible with thermodynamic equilibrium parameters. In particular, Markov processes that converge to a thermodynamic equilibrium state are strongly relaxing. Our framework generalizes previous results to arbitrary open and driven systems, yielding novel thermodynamic bounds for idealized and real processes. , which features invited work from the best early-career researchers working within the scope of J. Phys. A. This project is part of the Journal of Physics series’ 50th anniversary celebrations in 2017. Bernhard Altaner was selected by the Editorial Board of J. Phys. A as an Emerging Talent.
Chong, Song-Ho; Ham, Sihyun
2015-04-21
Protein aggregation in aqueous cellular environments is linked to diverse human diseases. Protein aggregation proceeds through a multistep process initiated by conformational transitions, called protein misfolding, of monomer species toward aggregation-prone structures. Various forms of aggregate species are generated through the association of misfolded monomers including soluble oligomers and amyloid fibrils. Elucidating the molecular mechanisms and driving forces involved in the misfolding and subsequent association has been a central issue for understanding and preventing protein aggregation diseases such as Alzheimer's, Parkinson's, and type II diabetes. In this Account, we provide a thermodynamic perspective of the misfolding and aggregation of the amyloid-beta (Aβ) protein implicated in Alzheimer's disease through the application of fluctuating thermodynamics. This approach "dissects" the conventional thermodynamic characterization of the end states into the one of the fluctuating processes connecting them, and enables one to analyze variations in the thermodynamic functions that occur during the course of protein conformational changes. The central quantity in this approach is the solvent-averaged effective energy, f = Eu + Gsolv, comprising the protein potential energy (Eu) and the solvation free energy (Gsolv), whose time variation reflects the protein dynamics on the free energy landscape. Protein configurational entropy is quantified by the magnitude of fluctuations in f. We find that misfolding of the Aβ monomer when released from a membrane environment to an aqueous phase is driven by favorable changes in protein potential energy and configurational entropy, but it is also accompanied by an unfavorable increase in solvation free energy. The subsequent dimerization of the misfolded Aβ monomers occurs in two steps. The first step, where two widely separated monomers come into contact distance, is driven by water-mediated attraction, that is, by a
Scattering and Gaussian Fluctuation Theory for Semiflexible Polymers
Directory of Open Access Journals (Sweden)
Xiangyu Bu
2016-09-01
Full Text Available The worm-like chain is one of the best theoretical models of the semiflexible polymer. The structure factor, which can be obtained by scattering experiment, characterizes the density correlation in different length scales. In the present review, the numerical method to compute the static structure factor of the worm-like chain model and its general properties are demonstrated. Especially, the chain length and persistence length involved multi-scale nature of the worm-like chain model are well discussed. Using the numerical structure factor, Gaussian fluctuation theory of the worm-like chain model can be developed, which is a powerful tool to analyze the structure stability and to predict the spinodal line of the system. The microphase separation of the worm-like diblock copolymer is considered as an example to demonstrate the usage of Gaussian fluctuation theory.
An improved thermodynamic perturbation theory for Mercedes-Benz water.
Urbic, T; Vlachy, V; Kalyuzhnyi, Yu V; Dill, K A
2007-11-07
We previously applied Wertheim's thermodynamic perturbation theory for associative fluids to the simple Mercedes-Benz model of water. We found that the theory reproduced well the physical properties of hot water, but was less successful in capturing the more structured hydrogen bonding that occurs in cold water. Here, we propose an improved version of the thermodynamic perturbation theory in which the effective density of the reference system is calculated self-consistently. The new theory is a significant improvement, giving good agreement with Monte Carlo simulations of the model, and predicting key anomalies of cold water, such as minima in the molar volume and large heat capacity, in addition to giving good agreement with the isothermal compressibility and thermal expansion coefficient.
Eu, Byung Chan
2016-01-01
This book presents the fundamentals of irreversible thermodynamics for nonlinear transport processes in gases and liquids, as well as for generalized hydrodynamics extending the classical hydrodynamics of Navier, Stokes, Fourier, and Fick. Together with its companion volume on relativistic theories, it provides a comprehensive picture of the kinetic theory formulated from the viewpoint of nonequilibrium ensembles in both nonrelativistic and, in Vol. 2, relativistic contexts. Theories of macroscopic irreversible processes must strictly conform to the thermodynamic laws at every step and in all approximations that enter their derivation from the mechanical principles. Upholding this as the inviolable tenet, the author develops theories of irreversible transport processes in fluids (gases or liquids) on the basis of irreversible kinetic equations satisfying the H theorem. They apply regardless of whether the processes are near to or far removed from equilibrium, or whether they are linear or nonlinear with respe...
Thermodynamical aspect of black hole solutions in heteric string theory
Fujisaki, H
2003-01-01
Thermodynamical properties of charged rotating dilatonic black holes are discussed on the basis of the general solution of Sen in the heterotic string theory compactified on a six dimensional torus. The most probable microcanonical configuration of black holes is then described in the single-massive-mode dominance scenario.
Thermodynamics of spinning branes and their dual field theories
DEFF Research Database (Denmark)
Harmark, Troels; Obers, N. A.
2000-01-01
We discuss general spinning p-branes of string and M-theory and use their thermodynamics along with the correspondence between near-horizon brane solutions and field theories with 16 supercharges to describe the thermodynamic behavior of these theories in the presence of voltages under the R......-symmetry. The thermodynamics is used to provide two pieces of evidence in favor of a smooth interpolation function between the free energy at weak and strong coupling of the field theory. (i) A computation of the boundaries of stability shows that for the D2, D3, D4, M2 and M5-branes the critical values of Omega/T in the two...... limits are remarkably close and (ii) The tree-level R^4 corrections to the spinning D3-brane generate a decrease in the free energy at strong coupling towards the weak coupling result. We also comment on the generalization to spinning brane bound states and their thermodynamics, which are relevant...
Beyond heat baths II: framework for generalized thermodynamic resource theories
Yunger Halpern, Nicole
2018-03-01
Thermodynamics, which describes vast systems, has been reconciled with small scales, relevant to single-molecule experiments, in resource theories. Resource theories have been used to model exchanges of energy and information. Recently, particle exchanges were modeled; and an umbrella family of thermodynamic resource theories was proposed to model diverse baths, interactions, and free energies. This paper motivates and details the family’s structure and prospective applications. How to model electrochemical, gravitational, magnetic, and other thermodynamic systems is explained. Szilárd’s engine and Landauer’s Principle are generalized, as resourcefulness is shown to be convertible not only between information and gravitational energy, but also among diverse degrees of freedom. Extensive variables are associated with quantum operators that might fail to commute, introducing extra nonclassicality into thermodynamic resource theories. An early version of this paper partially motivated the later development of noncommutative thermalization. This generalization expands the theories’ potential for modeling realistic systems with which small-scale statistical mechanics might be tested experimentally.
From thermodynamics to the solutions in gravity theory
International Nuclear Information System (INIS)
Zhang, Hongsheng; Li, Xin-Zhou
2014-01-01
In a recent work, we present a new point of view to the relation of gravity and thermodynamics, in which we derive the Schwarzschild solution through thermodynamic considerations by the aid of the Misner–Sharp mass in an adiabatic system. In this Letter we continue to investigate the relation between gravity and thermodynamics for obtaining solutions via thermodynamics. We generalize our studies on gravi-thermodynamics in Einstein gravity to modified gravity theories. By using the first law with the assumption that the Misner–Sharp mass is the mass for an adiabatic system, we reproduce the Boulware–Deser–Cai solution in Gauss–Bonnet gravity. Using this gravi-thermodynamic thought, we obtain a NEW class of solution in F(R) gravity in an n-dimensional (n≥3) spacetime which permits three-type (n−2)-dimensional maximally symmetric subspace, as an extension of our recent three-dimensional black hole solution, and four-dimensional Clifton–Barrow solution in F(R) gravity
From thermodynamics to the solutions in gravity theory
Directory of Open Access Journals (Sweden)
Hongsheng Zhang
2014-10-01
Full Text Available In a recent work, we present a new point of view to the relation of gravity and thermodynamics, in which we derive the Schwarzschild solution through thermodynamic considerations by the aid of the Misner–Sharp mass in an adiabatic system. In this Letter we continue to investigate the relation between gravity and thermodynamics for obtaining solutions via thermodynamics. We generalize our studies on gravi-thermodynamics in Einstein gravity to modified gravity theories. By using the first law with the assumption that the Misner–Sharp mass is the mass for an adiabatic system, we reproduce the Boulware–Deser–Cai solution in Gauss–Bonnet gravity. Using this gravi-thermodynamic thought, we obtain a NEW class of solution in F(R gravity in an n-dimensional (n≥3 spacetime which permits three-type (n−2-dimensional maximally symmetric subspace, as an extension of our recent three-dimensional black hole solution, and four-dimensional Clifton–Barrow solution in F(R gravity.
A thermodynamically general theory for convective vortices
Renno, Nilton O.
2008-08-01
Convective vortices are common features of atmospheres that absorb lower-entropy-energy at higher temperatures than they reject higher-entropy-energy to space. These vortices range from small to large-scale and play an important role in the vertical transport of heat, momentum, and tracer species. Thus, the development of theoretical models for convective vortices is important to our understanding of some of the basic features of planetary atmospheres. The heat engine framework is a useful tool for studying convective vortices. However, current theories assume that convective vortices are reversible heat engines. Since there are questions about how reversible real atmospheric heat engines are, their usefulness for studying real atmospheric vortices is somewhat controversial. In order to reduce this problem, a theory for convective vortices that includes irreversible processes is proposed. The paper's main result is that the proposed theory provides an expression for the pressure drop along streamlines that includes the effects of irreversible processes. It is shown that a simplified version of this expression is a generalization of Bernoulli's equation to convective circulations. It is speculated that the proposed theory not only explains the intensity, but also sheds light on other basic features of convective vortices such as their physical appearance.
Relation of the second law of thermodynamics to the power conversion of energy fluctuations
International Nuclear Information System (INIS)
Yater, J.C.
1979-01-01
The relation of the second law of thermodynamics to the power conversion of fluctuation energy is analyzed using the master equation of the model for the conversion circuit. The performance equation for independent particles shows that the power-conversion performance is given by the second law both for classical and quantum-effect diodes. The relation of the second law to power-conversion models based on the theoretical and experimental results for diode performance for interacting particles exhibiting many-body, multiparticle, or other anomalous and excess-current effects is examined. The performance equations are derived from the master equation for models for interacting particles to determine the conditions required by the second law for power conversion. These conditions are given in terms of the distribution throughout the power-conversion circuit for all the parameters that determine the particle and multiparticle barrier-crossing probability such as the effective mass and spectral density functions. Circuits for spectroscopic measurements for power-conversion circuits with interacting particles are noted. Using selected experimental values for the diode nonlinearity factors in these circuits, open circuit voltages are computed that are not predicted by the second law of thermodynamics
The mechanical and thermodynamical theory of plasticity
Negahban, Mehrdad
2012-01-01
""an excellent text for a graduate-level course in plasticity…the approach and selection of topics are appropriate for the audience. ... Professor Negahban has done an excellent job in presenting a unified approach to include thermal effects in the theory of finite deformation of plastic solids. The simple thermo-mechanical analog presented at the beginning of the chapter is also very instructive to the reader. {presented figures are] particularly helpful in understanding the mechanisms in a simple (one-dimensional) setting … The learning features included in this chapter are excellent (the fi
Thermodynamics of flat FLRW universe in Rastall theory
International Nuclear Information System (INIS)
Moradpour, H.
2016-01-01
In this paper, after referring to the Rastall theory, we address some of its cosmological consequences. Moreover, bearing the Clausius relation in mind, using Friedman equations in Rastall theory and the Cai–Kim temperature, we obtain a relation for the apparent horizon entropy of a flat FLRW universe. In addition, we impose the entropy positivity condition on the obtained relation for the horizon entropy, to find some constraints on the Rastall parameters. Moreover, we investigate the second and generalized second laws of thermodynamics. The results of considering a dominated prefect fluid of constant state parameter are also addressed helping us familiarize with the Rastall theory.
Thermodynamics of flat FLRW universe in Rastall theory
Energy Technology Data Exchange (ETDEWEB)
Moradpour, H., E-mail: h.moradpour@riaam.ac.ir
2016-06-10
In this paper, after referring to the Rastall theory, we address some of its cosmological consequences. Moreover, bearing the Clausius relation in mind, using Friedman equations in Rastall theory and the Cai–Kim temperature, we obtain a relation for the apparent horizon entropy of a flat FLRW universe. In addition, we impose the entropy positivity condition on the obtained relation for the horizon entropy, to find some constraints on the Rastall parameters. Moreover, we investigate the second and generalized second laws of thermodynamics. The results of considering a dominated prefect fluid of constant state parameter are also addressed helping us familiarize with the Rastall theory.
Quantum field theory, horizons and thermodynamics
International Nuclear Information System (INIS)
Sciama, D.W.; Candelas, P.; Deutsch, D.
1981-01-01
The aim of the article is to obtain an intuitive understanding of the recently explored deep connections between thermal physics, quantum field theory and general relativity. A special case in which a detector moves with constant acceleration through a quantum vacuum is examined to clarify the fact that such a detector becomes thermally excited, with a temperature proportional to its acceleration. An elementary physical explanation of this fundamental result is provided. The uniformly accelerated observer finds his space-time manifold bounded by an event horizon and so realizes a 'model' black hole. Real black holes also have thermal properties when quantum effects are taken into account; these are described and the correspondences with the accelerated case are pointed out. In particular, an elementary account is given of the thermal Hawking radiation emitted by the black holes formed by collapsed stars. (author)
Quantum field theory in curved spacetime and black hole thermodynamics
Wald, Robert M
1994-01-01
In this book, Robert Wald provides a coherent, pedagogical introduction to the formulation of quantum field theory in curved spacetime. He begins with a treatment of the ordinary one-dimensional quantum harmonic oscillator, progresses through the construction of quantum field theory in flat spacetime to possible constructions of quantum field theory in curved spacetime, and, ultimately, to an algebraic formulation of the theory. In his presentation, Wald disentangles essential features of the theory from inessential ones (such as a particle interpretation) and clarifies relationships between various approaches to the formulation of the theory. He also provides a comprehensive, up-to-date account of the Unruh effect, the Hawking effect, and some of its ramifications. In particular, the subject of black hole thermodynamics, which remains an active area of research, is treated in depth. This book will be accessible to students and researchers who have had introductory courses in general relativity and quantum f...
International Nuclear Information System (INIS)
Bednarski, Henryk; Spałek, Józef
2014-01-01
We extend the theory of the bound magnetic polaron (BMP) in diluted paramagnetic semiconductors to the situation with a ferromagnetic phase transition. This is achieved by including the classical Gaussian fluctuations of magnetization from the quartic (non-Gaussian) term in the effective Ginzburg–Landau Hamiltonian for the spins. Within this approach, we find a ferromagnetically ordered state within the BMP in the temperature range well above the Curie temperature for the host magnetic semiconductor. Numerical results are compared directly with the recently available experimental data for the ferromagnetic semiconductor GdN. The agreement is excellent, given the simplicity of our model, and is because the polaron size (≃1.4 nm) encompasses a relatively large but finite number (N≈400) of quasiclassical spins S=7/2 coming from Gd 3+ ions. The presence of BMP invalidates the notion of critical temperature and thus makes the incorporation of classical Gaussian fluctuations sufficient to realistically describe the situation. (paper)
Coupling-parameter expansion in thermodynamic perturbation theory.
Ramana, A Sai Venkata; Menon, S V G
2013-02-01
An approach to the coupling-parameter expansion in the liquid state theory of simple fluids is presented by combining the ideas of thermodynamic perturbation theory and integral equation theories. This hybrid scheme avoids the problems of the latter in the two phase region. A method to compute the perturbation series to any arbitrary order is developed and applied to square well fluids. Apart from the Helmholtz free energy, the method also gives the radial distribution function and the direct correlation function of the perturbed system. The theory is applied for square well fluids of variable ranges and compared with simulation data. While the convergence of perturbation series and the overall performance of the theory is good, improvements are needed for potentials with shorter ranges. Possible directions for further developments in the coupling-parameter expansion are indicated.
Aeroacoustic and aerodynamic applications of the theory of nonequilibrium thermodynamics
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.
Thermodynamic approach to the inelastic state variable theories
International Nuclear Information System (INIS)
Dashner, P.A.
1978-06-01
A continuum model is proposed as a theoretical foundation for the inelastic state variable theory of Hart. The model is based on the existence of a free energy function and the assumption that a strained material element recalls two other local configurations which are, in some specified manner, descriptive of prior deformation. A precise formulation of these material hypotheses within the classical thermodynamical framework leads to the recovery of a generalized elastic law and the specification of evolutionary laws for the remembered configurations which are frame invariant and formally valid for finite strains. Moreover, the precise structure of Hart's theory is recovered when strains are assumed to be small
A non–extensive thermodynamic theory of ecological systems
International Nuclear Information System (INIS)
Xuan, Le Van; Ngoc, Nguyen Khac; Lan, Nguyen Tri; Viet, Nguyen Ai
2017-01-01
After almost 30 years of development, it is not controversial issue that the so–called Tsallis entropy provides a useful approach to studying the complexity where the non–additivity of the systems under consideration is frequently met. Also, in the ecological research, Tsallis entropy, or in other words, q –entropy has been found itself as a generalized approach to define a range of diversity indices including Shannon–Wiener and Simpson indices. As a further stage of development in theoretical research, a thermodynamic theory based on Tsallis entropy or diversity indices in ecology has to be constructed for ecological systems to provide knowledge of ecological macroscopic behaviors. The standard method of theoretical physics is used in the manipulation and the equivalence between phenomenological thermodynamics and ecological aspects is the purpose of the ongoing research. The present work is in the line of the authors research to implement Tsallis non–extensivity approach to obtain the most important thermodynamic quantities of ecological systems such as internal energy U q and temperature T q based on a given modeled truncated Boltzmann distribution of the Whittaker plot for a dataset. These quantities have their own ecological meaning, especially the temperature T q provides the insight of equilibrium condition among ecological systems as it is well–known in 0th law of thermodynamics. (paper)
A non-extensive thermodynamic theory of ecological systems
Van Xuan, Le; Khac Ngoc, Nguyen; Lan, Nguyen Tri; Viet, Nguyen Ai
2017-06-01
After almost 30 years of development, it is not controversial issue that the so-called Tsallis entropy provides a useful approach to studying the complexity where the non-additivity of the systems under consideration is frequently met. Also, in the ecological research, Tsallis entropy, or in other words, q-entropy has been found itself as a generalized approach to define a range of diversity indices including Shannon-Wiener and Simpson indices. As a further stage of development in theoretical research, a thermodynamic theory based on Tsallis entropy or diversity indices in ecology has to be constructed for ecological systems to provide knowledge of ecological macroscopic behaviors. The standard method of theoretical physics is used in the manipulation and the equivalence between phenomenological thermodynamics and ecological aspects is the purpose of the ongoing research. The present work is in the line of the authors research to implement Tsallis non-extensivity approach to obtain the most important thermodynamic quantities of ecological systems such as internal energy Uq and temperature Tq based on a given modeled truncated Boltzmann distribution of the Whittaker plot for a dataset. These quantities have their own ecological meaning, especially the temperature Tq provides the insight of equilibrium condition among ecological systems as it is well-known in 0th law of thermodynamics.
A Thermodynamically General Theory for Convective Circulations and Vortices
Renno, N. O.
2007-12-01
Convective circulations and vortices are common features of atmospheres that absorb low-entropy-energy at higher temperatures than they reject high-entropy-energy to space. These circulations range from small to planetary-scale and play an important role in the vertical transport of heat, momentum, and tracer species. Thus, the development of theoretical models for convective phenomena is important to our understanding of many basic features of planetary atmospheres. A thermodynamically general theory for convective circulations and vortices is proposed. The theory includes irreversible processes and quantifies the pressure drop between the environment and any point in a convective updraft. The article's main result is that the proposed theory provides an expression for the pressure drop along streamlines or streamtubes that is a generalization of Bernoulli's equation to convective circulations. We speculate that the proposed theory not only explains the intensity, but also shed light on other basic features of convective circulations and vortices.
Black holes in vector-tensor theories and their thermodynamics
Energy Technology Data Exchange (ETDEWEB)
Fan, Zhong-Ying [Guangzhou University, Center for Astrophysics, School of Physics and Electronic Engineering, Guangzhou (China)
2018-01-15
In this paper, we study Einstein gravity either minimally or non-minimally coupled to a vector field which breaks the gauge symmetry explicitly in general dimensions. We first consider a minimal theory which is simply the Einstein-Proca theory extended with a quartic self-interaction term for the vector field. We obtain its general static maximally symmetric black hole solution and study the thermodynamics using Wald formalism. The aspects of the solution are much like a Reissner-Nordstroem black hole in spite of that a global charge cannot be defined for the vector. For non-minimal theories, we obtain a lot of exact black hole solutions, depending on the parameters of the theories. In particular, many of the solutions are general static and have maximal symmetry. However, there are some subtleties and ambiguities in the derivation of the first laws because the existence of an algebraic degree of freedom of the vector in general invalids the Wald entropy formula. The thermodynamics of these solutions deserves further studies. (orig.)
Thermodynamical Study of FRW Universe in Quasi-Topological Theory
Directory of Open Access Journals (Sweden)
H. Moradpour
2016-01-01
Full Text Available By applying the unified first law of thermodynamics on the apparent horizon of FRW universe, we get the entropy relation for the apparent horizon in quasi-topological gravity theory. Throughout the paper, the results of considering the Hayward-Kodama and Cai-Kim temperatures are also addressed. Our study shows that whenever there is no energy exchange between the various parts of cosmos, we can get an expression for the apparent horizon entropy in quasi-topological gravity, which is in agreement with other attempts that followed different approaches. The effects of a mutual interaction between the various parts of cosmos on the apparent horizon entropy as well as the validity of second law of thermodynamics in quasi-topological gravity are perused.
Theory of electromagnetic fluctuations for magnetized multi-species plasmas
Energy Technology Data Exchange (ETDEWEB)
Navarro, Roberto E., E-mail: roberto.navarro@ug.uchile.cl; Muñoz, Víctor [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago (Chile); Araneda, Jaime [Departamento de Física, Universidad de Concepción, Concepción 4070386 (Chile); Moya, Pablo S. [NASA Goddard Space Flight Center, Heliophysics Science Division, Geospace Physics Laboratory, Mail Code 673, Greenbelt, Maryland 20771 (United States); Department of Physics, Catholic University of America, Washington, D. C. 20064 (United States); Viñas, Adolfo F. [NASA Goddard Space Flight Center, Heliophysics Science Division, Geospace Physics Laboratory, Mail Code 673, Greenbelt, Maryland 20771 (United States); Valdivia, Juan A. [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago (Chile); Centro de Estudios Interdisciplinarios Básicos y Aplicados en Complejidad, CEIBA complejidad, Bogotá (Colombia)
2014-09-15
Analysis of electromagnetic fluctuations in plasma provides relevant information about the plasma state and its macroscopic properties. In particular, the solar wind persistently sustains a small but detectable level of magnetic fluctuation power even near thermal equilibrium. These fluctuations may be related to spontaneous electromagnetic fluctuations arising from the discreteness of charged particles. Here, we derive general expressions for the plasma fluctuations in a multi-species plasma following arbitrary distribution functions. This formalism, which generalizes and includes previous works on the subject, is then applied to the generation of electromagnetic fluctuations propagating along a background magnetic field in a plasma of two proton populations described by drifting bi-Maxwellians.
A Thermodynamic Theory Of Solid Viscoelasticity. Part 1: Linear Viscoelasticity.
Freed, Alan D.; Leonov, Arkady I.
2002-01-01
The present series of three consecutive papers develops a general theory for linear and finite solid viscoelasticity. Because the most important object for nonlinear studies are rubber-like materials, the general approach is specified in a form convenient for solving problems important for many industries that involve rubber-like materials. General linear and nonlinear theories for non-isothermal deformations of viscoelastic solids are developed based on the quasi-linear approach of non-equilibrium thermodynamics. In this, the first paper of the series, we analyze non-isothermal linear viscoelasticity, which is applicable in a range of small strains not only to all synthetic polymers and bio-polymers but also to some non-polymeric materials. Although the linear case seems to be well developed, there still are some reasons to implement a thermodynamic derivation of constitutive equations for solid-like, non-isothermal, linear viscoelasticity. The most important is the thermodynamic modeling of thermo-rheological complexity , i.e. different temperature dependences of relaxation parameters in various parts of relaxation spectrum. A special structure of interaction matrices is established for different physical mechanisms contributed to the normal relaxation modes. This structure seems to be in accord with observations, and creates a simple mathematical framework for both continuum and molecular theories of the thermo-rheological complex relaxation phenomena. Finally, a unified approach is briefly discussed that, in principle, allows combining both the long time (discrete) and short time (continuous) descriptions of relaxation behaviors for polymers in the rubbery and glassy regions.
Stochastic cooling of bunched beams from fluctuation and kinetic theory
International Nuclear Information System (INIS)
Chattopadhyay, S.
1982-09-01
A theoretical formalism for stochastic phase-space cooling of bunched beams in storage rings is developed on the dual basis of classical fluctuation theory and kinetic theory of many-body systems in phase-space. The physics is that of a collection of three-dimensional oscillators coupled via retarded nonconservative interactions determined by an electronic feedback loop. At the heart of the formulation is the existence of several disparate time-scales characterizing the cooling process. Both theoretical approaches describe the cooling process in the form of a Fokker-Planck transport equation in phase-space valid up to second order in the strength and first order in the auto-correlation of the cooling signal. With neglect of the collective correlations induced by the feedback loop, identical expressions are obtained in both cases for the coherent damping and Schottky noise diffusion coefficients. These are expressed in terms of Fourier coefficients in a harmonic decomposition in angle of the generalized nonconservative cooling force written in canonical action-angle variables of the particles in six-dimensional phase-space. Comparison of analytic results to a numerical simulation study with 90 pseudo-particles in a model cooling system is presented
Neutrality Versus Materiality: A Thermodynamic Theory of Neutral Surfaces
Directory of Open Access Journals (Sweden)
Rémi Tailleux
2016-09-01
Full Text Available In this paper, a theory for constructing quasi-neutral density variables γ directly in thermodynamic space is formulated, which is based on minimising the absolute value of a purely thermodynamic quantity J n . Physically, J n has a dual dynamic/thermodynamic interpretation as the quantity controlling the energy cost of adiabatic and isohaline parcel exchanges on material surfaces, as well as the dependence of in-situ density on spiciness, in a description of water masses based on γ, spiciness and pressure. Mathematically, minimising | J n | in thermodynamic space is showed to be equivalent to maximising neutrality in physical space. The physics of epineutral dispersion is also reviewed and discussed. It is argued, in particular, that epineutral dispersion is best understood as the aggregate effect of many individual non-neutral stirring events (being understood here as adiabatic and isohaline events with non-zero buoyancy, so that it is only the net displacement aggregated over many events that is approximately neutral. This new view resolves an apparent paradox between the focus in neutral density theory on zero-buoyancy motions and the overwhelming evidence that lateral dispersion in the ocean is primarily caused by non-zero buoyancy processes such as tides, residual currents and sheared internal waves. The efficiency by which a physical process contributes to lateral dispersion can be characterised by its energy signature, with those processes releasing available potential energy (negative energy cost being more efficient than purely neutral processes with zero energy cost. The latter mechanism occurs in the wedge of instability, and its source of energy is the coupling between baroclinicity, thermobaricity, and density compensated temperature/salinity anomalies. Such a mechanism, which can only exist in a salty ocean, is speculated to be important for dissipating spiciness anomalies and neutral helicity. The paper also discusses potential
The generalized second law of thermodynamics in generalized gravity theories
International Nuclear Information System (INIS)
Wu Shaofeng; Yang Guohong; Wang Bin; Zhang Pengming
2008-01-01
We investigate the generalized second law of thermodynamics (GSL) in generalized theories of gravity. We examine the total entropy evolution with time including the horizon entropy, the non-equilibrium entropy production, and the entropy of all matter, field and energy components. We derive a universal condition to protect the generalized second law and study its validity in different gravity theories. In Einstein gravity (even in the phantom-dominated universe with a Schwarzschild black hole), Lovelock gravity and braneworld gravity, we show that the condition to keep the GSL can always be satisfied. In f(R) gravity and scalar-tensor gravity, the condition to protect the GSL can also hold because the temperature should be positive, gravity is always attractive and the effective Newton constant should be an approximate constant satisfying the experimental bounds
The thermodynamics of quantum Yang–Mills theory theory and applications
Hofmann, Ralf
2012-01-01
This book aims to provide advanced students and researchers with the text on a nonperturbative, thermodynamically grounded, and largely analytical approach to four-dimensional Quantum Gauge Theory. The terrestrial, astrophysical, and cosmological applications, mostly within the realm of low-temperature photon physics, are treated.
Dissipative open systems theory as a foundation for the thermodynamics of linear systems.
Delvenne, Jean-Charles; Sandberg, Henrik
2017-03-06
In this paper, we advocate the use of open dynamical systems, i.e. systems sharing input and output variables with their environment, and the dissipativity theory initiated by Jan Willems as models of thermodynamical systems, at the microscopic and macroscopic level alike. We take linear systems as a study case, where we show how to derive a global Lyapunov function to analyse networks of interconnected systems. We define a suitable notion of dynamic non-equilibrium temperature that allows us to derive a discrete Fourier law ruling the exchange of heat between lumped, discrete-space systems, enriched with the Maxwell-Cattaneo correction. We complete these results by a brief recall of the steps that allow complete derivation of the dissipation and fluctuation in macroscopic systems (i.e. at the level of probability distributions) from lossless and deterministic systems.This article is part of the themed issue 'Horizons of cybernetical physics'. © 2017 The Author(s).
General Linearized Theory of Quantum Fluctuations around Arbitrary Limit Cycles.
Navarrete-Benlloch, Carlos; Weiss, Talitha; Walter, Stefan; de Valcárcel, Germán J
2017-09-29
The theory of Gaussian quantum fluctuations around classical steady states in nonlinear quantum-optical systems (also known as standard linearization) is a cornerstone for the analysis of such systems. Its simplicity, together with its accuracy far from critical points or situations where the nonlinearity reaches the strong coupling regime, has turned it into a widespread technique, being the first method of choice in most works on the subject. However, such a technique finds strong practical and conceptual complications when one tries to apply it to situations in which the classical long-time solution is time dependent, a most prominent example being spontaneous limit-cycle formation. Here, we introduce a linearization scheme adapted to such situations, using the driven Van der Pol oscillator as a test bed for the method, which allows us to compare it with full numerical simulations. On a conceptual level, the scheme relies on the connection between the emergence of limit cycles and the spontaneous breaking of the symmetry under temporal translations. On the practical side, the method keeps the simplicity and linear scaling with the size of the problem (number of modes) characteristic of standard linearization, making it applicable to large (many-body) systems.
Tang, Hui-Yi; Wang, Jian-Hui; Ma, Yong-Li
2014-06-01
For a small system at a low temperature, thermal fluctuation and quantum effect play important roles in quantum thermodynamics. Starting from micro-canonical ensemble, we generalize the Boltzmann-Gibbs statistical factor from infinite to finite systems, no matter the interactions between particles are considered or not. This generalized factor, similar to Tsallis's q-form as a power-law distribution, has the restriction of finite energy spectrum and includes the nonextensivities of the small systems. We derive the exact expression for distribution of average particle numbers in the interacting classical and quantum nonextensive systems within a generalized canonical ensemble. This expression in the almost independent or elementary excitation quantum finite systems is similar to the corresponding ones obtained from the conventional grand-canonical ensemble. In the reconstruction for the statistical theory of the small systems, we present the entropy of the equilibrium systems and equation of total thermal energy. When we investigate the thermodynamics for the interacting nonextensive systems, we obtain the system-bath heat exchange and "uncompensated heat" which are in the thermodynamical level and independent on the detail of the system-bath coupling. For ideal finite systems, with different traps and boundary conditions, we calculate some thermodynamic quantities, such as the specific heat, entropy, and equation of state, etc. Particularly at low temperatures for the small systems, we predict some novel behaviors in the quantum thermodynamics, including internal entropy production, heat exchanges between the system and its surroundings and finite-size effects on the free energy.
Thermodynamics as a Foundation for Density Functional Theory
International Nuclear Information System (INIS)
Argaman, Nathan
2014-01-01
Density Functional Theory (DFT) is the method of choice for an ever increasing number of electronic structure computations (recently reaching 30,000 publications per year). It was founded in the sixties on the basis of the Hohenberg-Kohn theorem and the Kohn-Sham equations, which were originally proved and derived for electronic ground states. Alternatively, one may use thermodynamics to derive DFT for finite-temperature ensembles, with the ground-state theory recovered in the zero temperature limit. Specifically, the transformation from chemical potential µ to electron number N as a free variable may be directly generalized to clarify how DFT uses the density distribution n(r), rather than the external potential v(r), to specify a particular inhomogeneous electronic system. Relating interacting and non-interacting systems with the same n(r) distribution, one recovers not only the Kohn-Sham formulation, but also the so-called adiabatic connection theorem, which gives an explicit expression for the exchange-correlation energy in terms of the 'exchangecorrelation hole.' This derivation has the advantage of being constructive, rather than being based on a reductio ad absurdum argument. It thus serves as an excellent basis for a discussion of the approximations which are inevitably introduced, including the Local Density Approximation (LDA) and the Generalized Gradient Approximation (GGA)
Fluctuations around classical solutions for gauge theories in Lagrangian and Hamiltonian approach
International Nuclear Information System (INIS)
Miskovic, Olivera; Pons, Josep M
2006-01-01
We analyse the dynamics of gauge theories and constrained systems in general under small perturbations around a classical solution in both Lagrangian and Hamiltonian formalisms. We prove that a fluctuations theory, described by a quadratic Lagrangian, has the same constraint structure and number of physical degrees of freedom as the original non-perturbed theory, assuming the non-degenerate solution has been chosen. We show that the number of Noether gauge symmetries is the same in both theories, but that the gauge algebra in the fluctuations theory becomes Abelianized. We also show that the fluctuations theory inherits all functionally independent rigid symmetries from the original theory and that these symmetries are generated by linear or quadratic generators according to whether the original symmetry is preserved by the background or is broken by it. We illustrate these results with examples
Fluctuation theory for radiative transfer in random media
International Nuclear Information System (INIS)
Bal, Guillaume; Jing Wenjia
2011-01-01
We consider the effect of small scale random fluctuations of the constitutive coefficients on boundary measurements of solutions to radiative transfer equations. As the correlation length of the random oscillations tends to zero, the transport solution is well approximated by a deterministic, averaged, solution. In this paper, we analyze the random fluctuations to the averaged solution, which may be interpreted as a central limit correction to homogenization. With the inverse transport problem in mind, we characterize the random structure of the singular components of the transport measurement operator. In regimes of moderate scattering, such components provide stable reconstructions of the constitutive parameters in the transport equation. We show that the random fluctuations strongly depend on the decorrelation properties of the random medium.
Fluctuation theory of solutions applications in chemistry, chemical engineering, and biophysics
Smith, Paul E
2013-01-01
There are essentially two theories of solutions that can be considered exact: the McMillan-Mayer theory and Fluctuation Solution Theory (FST). The first is mostly limited to solutes at low concentrations, while FST has no such issue. It is an exact theory that can be applied to any stable solution regardless of the number of components and their concentrations, and the types of molecules and their sizes. Fluctuation Theory of Solutions: Applications in Chemistry, Chemical Engineering, and Biophysics outlines the general concepts and theoretical basis of FST and provides a range of applications
Directory of Open Access Journals (Sweden)
Maziar Heidari
2018-03-01
Full Text Available The spatial block analysis (SBA method has been introduced to efficiently extrapolate thermodynamic quantities from finite-size computer simulations of a large variety of physical systems. In the particular case of simple liquids and liquid mixtures, by subdividing the simulation box into blocks of increasing size and calculating volume-dependent fluctuations of the number of particles, it is possible to extrapolate the bulk isothermal compressibility and Kirkwood–Buff integrals in the thermodynamic limit. Only by explicitly including finite-size effects, ubiquitous in computer simulations, into the SBA method, the extrapolation to the thermodynamic limit can be achieved. In this review, we discuss two of these finite-size effects in the context of the SBA method due to (i the statistical ensemble and (ii the finite integration domains used in computer simulations. To illustrate the method, we consider prototypical liquids and liquid mixtures described by truncated and shifted Lennard–Jones (TSLJ potentials. Furthermore, we show some of the most recent developments of the SBA method, in particular its use to calculate chemical potentials of liquids in a wide range of density/concentration conditions.
Fermi, Enrico
1956-01-01
Indisputably, this is a modern classic of science. Based on a course of lectures delivered by the author at Columbia University, the text is elementary in treatment and remarkable for its clarity and organization. Although it is assumed that the reader is familiar with the fundamental facts of thermometry and calorimetry, no advanced mathematics beyond calculus is assumed.Partial contents: thermodynamic systems, the first law of thermodynamics (application, adiabatic transformations), the second law of thermodynamics (Carnot cycle, absolute thermodynamic temperature, thermal engines), the entr
Gauge-invariant metric fluctuations from NKK theory of gravity: de Sitter expansion
International Nuclear Information System (INIS)
Aguilar, Jose Edgar Madriz; Anabitarte, Mariano; Bellini, Mauricio
2006-01-01
In this Letter we study gauge-invariant metric fluctuations from a noncompact Kaluza-Klein (NKK) theory of gravity in de Sitter expansion. We recover the well-known result δρ/ρ∼2Φ, obtained from the standard 4D semiclassical approach to inflation. The spectrum for these fluctuations should be dependent of the fifth (spatial-like) coordinate
Fluctuation properties of nuclear energy levels and widths: comparison of theory with experiment
International Nuclear Information System (INIS)
Bohigas, O.; Haq, R.U.; Pandey, A.
1982-09-01
We analyze the fluctuation properties of nuclear energy levels and widths with new spectrally averaged measures. A remarkably close agreement between the predictions of random-matrix theories and experiment is found
Statistical theory of nuclear cross section fluctuations with account s-matrix unitarity
International Nuclear Information System (INIS)
Kun, S.Yu.
1985-01-01
Statistical properties of the S-matrix fluctuating part delta S=S- sub(T) in the T/D>>1, N>>1 Ericoson fluctuations mode are investigated. A unitary representation is used for the investigation of statistical properties of the S-matrix. The problem on correlation of fluctuating elements of the S-matrix is discussed. The S-matrix unitary representation allows one to strictly substantiates the assumptions of the Ericson fluctuations theory: a) the real and imaginary parts of the deltaS-matrix have identical dispersions, do not correlate and are distributed according to the normal law; 2) various deltaS-matrix elements do not correlate
General Theory of Decoy-State Quantum Cryptography with Dark Count Rate Fluctuation
International Nuclear Information System (INIS)
Xiang, Gao; Shi-Hai, Sun; Lin-Mei, Liang
2009-01-01
The existing theory of decoy-state quantum cryptography assumes that the dark count rate is a constant, but in practice there exists fluctuation. We develop a new scheme of the decoy state, achieve a more practical key generation rate in the presence of fluctuation of the dark count rate, and compare the result with the result of the decoy-state without fluctuation. It is found that the key generation rate and maximal secure distance will be decreased under the influence of the fluctuation of the dark count rate
Supersymmetric Field Theory of Non-Equilibrium Thermodynamic System
Olemskoi, Alexander I.; Brazhnyi, Valerii A.
1998-01-01
On the basis of Langevin equation the optimal SUSY field scheme is formulated to discribe a non-equilibrium thermodynamic system with quenched disorder and non-ergodicity effects. Thermodynamic and isothermal susceptibilities, memory parameter and irreversible response are determined at different temperatures and quenched disorder intensities.
A theory of thermodynamics for nanoscale quantum systems
Ng, N.H.Y.
2017-01-01
Thermodynamics is one of the main pillars of theoretical physics, and it has a special appeal of having wide applicability to a large variety of different physical systems. However, many assumptions in thermodynamics apply only to systems which are bulk material, i.e. consisting a large number of
Thermodynamics in f(R,T) theory of gravity
International Nuclear Information System (INIS)
Sharif, M.; Zubair, M.
2012-01-01
A non-equilibrium picture of thermodynamics is discussed at the apparent horizon of FRW universe in f(R,T) gravity, where R is the Ricci scalar and T is the trace of the energy-momentum tensor. We take two forms of the energy-momentum tensor of dark components and demonstrate that equilibrium description of thermodynamics is not achievable in both cases. We check the validity of the first and second law of thermodynamics in this scenario. It is shown that the Friedmann equations can be expressed in the form of first law of thermodynamics T h dS' h +T h d jmath S' = −dE'+W'dV, where d jmath S' is the entropy production term. Finally, we conclude that the second law of thermodynamics holds both in phantom and non-phantom phases
Theory of overdispersion in counting statistics caused by fluctuating probabilities
International Nuclear Information System (INIS)
Semkow, Thomas M.
1999-01-01
It is shown that the random Lexis fluctuations of probabilities such as probability of decay or detection cause the counting statistics to be overdispersed with respect to the classical binomial, Poisson, or Gaussian distributions. The generating and the distribution functions for the overdispersed counting statistics are derived. Applications to radioactive decay with detection and more complex experiments are given, as well as distinguishing between the source and background, in the presence of overdispersion. Monte-Carlo verifications are provided
Non-equilibrium thermodynamics
De Groot, Sybren Ruurds
1984-01-01
The study of thermodynamics is especially timely today, as its concepts are being applied to problems in biology, biochemistry, electrochemistry, and engineering. This book treats irreversible processes and phenomena - non-equilibrium thermodynamics.S. R. de Groot and P. Mazur, Professors of Theoretical Physics, present a comprehensive and insightful survey of the foundations of the field, providing the only complete discussion of the fluctuating linear theory of irreversible thermodynamics. The application covers a wide range of topics: the theory of diffusion and heat conduction, fluid dyn
State-Space Geometry, Statistical Fluctuations, and Black Holes in String Theory
Directory of Open Access Journals (Sweden)
Stefano Bellucci
2014-01-01
Full Text Available We study the state-space geometry of various extremal and nonextremal black holes in string theory. From the notion of the intrinsic geometry, we offer a state-space perspective to the black hole vacuum fluctuations. For a given black hole entropy, we explicate the intrinsic geometric meaning of the statistical fluctuations, local and global stability conditions, and long range statistical correlations. We provide a set of physical motivations pertaining to the extremal and nonextremal black holes, namely, the meaning of the chemical geometry and physics of correlation. We illustrate the state-space configurations for general charge extremal black holes. In sequel, we extend our analysis for various possible charge and anticharge nonextremal black holes. From the perspective of statistical fluctuation theory, we offer general remarks, future directions, and open issues towards the intrinsic geometric understanding of the vacuum fluctuations and black holes in string theory.
International Nuclear Information System (INIS)
Solontsov, A.
2015-01-01
The paper critically overviews the recent developments of the theory of spatially dispersive spin fluctuations (SF) in itinerant electron magnetism with particular emphasis on spin-fluctuation coupling or spin anharmonicity. It is argued that the conventional self-consistent renormalized (SCR) theory of spin fluctuations is usually used aside of the range of its applicability actually defined by the constraint of weak spin anharmonicity based on the random phase approximation (RPA) arguments. An essential step in understanding SF in itinerant magnets beyond RPA-like arguments was made recently within the soft-mode theory of SF accounting for strong spin anharmonicity caused by zero-point SF. In the present paper we generalize it to apply for a wider range of temperatures and regimes of SF and show it to lead to qualitatively new results caused by zero-point effects. - Highlights: • We review the spin-fluctuation theory of itinerant electron magnets with account of zero-point effects. • We generalize the existing theory to account for different regimes of spin fluctuations. • We show that zero-point spin fluctuations play a crucial role in both low- and high-temperature properties of metallic magnets. • We argue that a new scheme of calculation of ground state properties of magnets is needed including zero-point effects
The Theory of Thermodynamics for Chemical Reactions in Dispersed Heterogeneous Systems
Yongqiang; Baojiao; Jianfeng
1997-07-01
In this paper, the expressions of Gibbs energy change, enthalpy change, entropy change, and equilibrium constant for chemical reactions in dispersed heterogeneous systems are derived using classical thermodynamics theory. The thermodynamical relations for the same reaction system between the dispersed and the block state are also derived. The effects of degree of dispersion on thermodynamical properties, reaction directions, and chemical equilibria are discussed. The results show that the present equation of thermodynamics for chemical reactions is only a special case of the above-mentioned formulas and that the effect of the dispersity of a heterogeneous system on the chemical reaction obeys the Le Chatelier principle of movement of equilibria.
Esina, Z. N.; Korchuganova, M. R.
2015-06-01
The theory of thermodynamic similarity is used to predict the enthalpies of vaporization of aliphatic aldehydes. The predicted data allow us to calculate the phase diagrams of liquid-vapor equilibrium in a binary water-aliphatic aldehyde system.
Semi-classical theory of fluctuations in nuclear matter
International Nuclear Information System (INIS)
Benhassine, B.
1994-01-01
At intermediate energies the heavy ion collisions can be studied within the framework of a semi-classical approach based on the Vlasov-Uehling-Uhlenbeck (VUU) equation. Such an approach reduces the N-body problem to its description in terms of the one-body distribution function and constitutes the basis of several successful simulation models. Our aim in this work is to extend these average approaches to treat fluctuations. Within the framework of a linear approximation, we derived a Fokker-Planck transport equation in the one-body phase space. When it is reduced to its first moments, one recovers the VUU equation for the average dynamics together with the time evolution equation for the correlations. The collective transport coefficients are then obtained by projection on the one-body collective space. Independently, using a projection method introduced by Van Kampen, based on the constants of motion, we deduce the stationary expressions for the covariance matrix in phase space. We extract then, the equilibrium dispersions of one-body observables in a homogeneous case and in a spherical symmetric one. These results are compared with two types of simulation models in a relaxation time approximation. In the first one which is of Lagrangian type, the collective transport coefficients are directly extracted from the simulation and consequently the numerical fluctuations are washed out. The second model, due to its Eulerian character, allows us to make a microscopical comparison. (author)
International Nuclear Information System (INIS)
Paglietti, A.
1978-01-01
This paper is concerned with the thermodynamical theory of materials with fading memory exhibiting the creep and relaxation properties. It is shown that, once the current thermodynamical approach is followed, the second principle of thermodynamics implies for these materials further restrictions on the free-energy functional in addition to the well-known ones deduced in the general theory of materials with fading memory. The possibility of an experimental check of the current approach and the possibility of an alternative and more general approach are briefly discussed. (author)
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.
Energy Technology Data Exchange (ETDEWEB)
Benhassine, B. [Nantes Univ., 44 (France)
1994-01-14
At intermediate energies the heavy ion collisions can be studied within the framework of a semi-classical approach based on the Vlasov-Uehling-Uhlenbeck (VUU) equation. Such an approach reduces the N-body problem to its description in terms of the one-body distribution function and constitutes the basis of several successful simulation models. Our aim in this work is to extend these average approaches to treat fluctuations. Within the framework of a linear approximation, we derived a Fokker-Planck transport equation in the one-body phase space. When it is reduced to its first moments, one recovers the VUU equation for the average dynamics together with the time evolution equation for the correlations. The collective transport coefficients are then obtained by projection on the one-body collective space. Independently, using a projection method introduced by Van Kampen, based on the constants of motion, we deduce the stationary expressions for the covariance matrix in phase space. We extract then, the equilibrium dispersions of one-body observables in a homogeneous case and in a spherical symmetric one. These results are compared with two types of simulation models in a relaxation time approximation. In the first one which is of Lagrangian type, the collective transport coefficients are directly extracted from the simulation and consequently the numerical fluctuations are washed out. The second model, due to its Eulerian character, allows us to make a microscopical comparison. (author) 58 refs.
Quantum theory of dynamic multiple light scattering in fluctuating disordered media
International Nuclear Information System (INIS)
Skipetrov, S. E.
2007-01-01
We formulate a quantum theory of dynamic multiple light scattering in fluctuating disordered media and calculate the fluctuation and the autocorrelation function of the photon number operator for light transmitted through a disordered slab. The effect of disorder on the information capacity of a quantum communication channel operating in a disordered environment is estimated, and the use of squeezed light in diffusing-wave spectroscopy is discussed
Brain activity and cognition: a connection from thermodynamics and information theory.
Collell, Guillem; Fauquet, Jordi
2015-01-01
The connection between brain and mind is an important scientific and philosophical question that we are still far from completely understanding. A crucial point to our work is noticing that thermodynamics provides a convenient framework to model brain activity, whereas cognition can be modeled in information-theoretical terms. In fact, several models have been proposed so far from both approaches. A second critical remark is the existence of deep theoretical connections between thermodynamics and information theory. In fact, some well-known authors claim that the laws of thermodynamics are nothing but principles in information theory. Unlike in physics or chemistry, a formalization of the relationship between information and energy is currently lacking in neuroscience. In this paper we propose a framework to connect physical brain and cognitive models by means of the theoretical connections between information theory and thermodynamics. Ultimately, this article aims at providing further insight on the formal relationship between cognition and neural activity.
Brain activity and cognition: a connection from thermodynamics and information theory
Collell, Guillem; Fauquet, Jordi
2015-01-01
The connection between brain and mind is an important scientific and philosophical question that we are still far from completely understanding. A crucial point to our work is noticing that thermodynamics provides a convenient framework to model brain activity, whereas cognition can be modeled in information-theoretical terms. In fact, several models have been proposed so far from both approaches. A second critical remark is the existence of deep theoretical connections between thermodynamics and information theory. In fact, some well-known authors claim that the laws of thermodynamics are nothing but principles in information theory. Unlike in physics or chemistry, a formalization of the relationship between information and energy is currently lacking in neuroscience. In this paper we propose a framework to connect physical brain and cognitive models by means of the theoretical connections between information theory and thermodynamics. Ultimately, this article aims at providing further insight on the formal relationship between cognition and neural activity. PMID:26136709
International Nuclear Information System (INIS)
Lesueur, J.; Aprili, M.; Degoy, S.; Chambonnet, D.; Keller, D.
1996-01-01
The specific role of disorder in the transport properties of YBCO has been investigated, using both light-ion irradiation of thin films to finely tune the amount of atomic disorder, and ultra-thin films grown to study possible dimensional effects. For weak disorder, the samples display a resistive transition typical of the mean-field paraconductive regime of a homogeneous media, well described by the Lawrence and Doniach model for layered superconductors. As the disorder increases, two effects take place. First, the c-axis coherence length becomes shorter, leading to a more anisotropic material, as shown by the excess conductivity above T c . Second, an incipient granularity is revealed, leading to a less sharper transition, which is analyzed within the random 3D XY critical model for the paracoherence transition. Two main results are derived: an experimental test of the Ginzburg criteria for the paracoherence transition, and a new fluctuation regime in nanometric grain size superconductors
THEORY OF CORRELATIONS AND FLUCTUATIONS IN NEUTRON DISTRIBUTIONS
Energy Technology Data Exchange (ETDEWEB)
Osborn, R. K.; Yip, S.
1963-06-15
Equations are derived for the first and second order densities for neutrons and alpha particles. The implications of the equations are examined by reducing them to their diffusion theory equivalents, and the one-speed equations are obtained. Results show that in cases where the singlet density can be approximated as spatially uniform, the same approximation may not apply to the doublet density. (D.C.W.)
Zhou, S.; Solana, J. R.
2018-03-01
Monte Carlo NVT simulations have been performed to obtain the thermodynamic and structural properties and perturbation coefficients up to third order in the inverse temperature expansion of the Helmholtz free energy of fluids with potential models proposed in the literature for diamond and wurtzite lattices. These data are used to analyze performance of a coupling parameter series expansion (CPSE). The main findings are summarized as follows, (1) The CPSE provides accurate predictions of the first three coefficient in the inverse temperature expansion of Helmholtz free energy for the potential models considered and the thermodynamic properties of these fluids are predicted more accurately when the CPSE is truncated at second or third order. (2) The Barker-Henderson (BH) recipe is appropriate for determining the effective hard sphere diameter for strongly repulsive potential cores, but its performance worsens with increasing the softness of the potential core. (3) For some thermodynamic properties the first-order CPSE works better for the diamond potential, whose tail is dominated by repulsive interactions, than for the potential, whose tail is dominated by attractive interactions. However, the first-order CPSE provides unsatisfactory results for the excess internal energy and constant-volume excess heat capacity for the two potential models.
On thermodynamics of AdS black holes in M-theory
Energy Technology Data Exchange (ETDEWEB)
Belhaj, A. [Universite Sultan Moulay Slimane, Departement de Physique, LIRST, Faculte Polydisciplinaire, Beni Mellal (Morocco); Cadi Ayyad University, High Energy Physics and Astrophysics Laboratory, FSSM, Marrakesh (Morocco); Chabab, M.; Masmar, K. [Cadi Ayyad University, High Energy Physics and Astrophysics Laboratory, FSSM, Marrakesh (Morocco); El Moumni, H. [Cadi Ayyad University, High Energy Physics and Astrophysics Laboratory, FSSM, Marrakesh (Morocco); Universite Ibn Zohr, Departement de Physique, Faculte des Sciences, Agadir (Morocco); Sedra, M.B. [Universite Ibn Tofail, Departement de Physique, LASIMO, Faculte des Sciences, Kenitra (Morocco)
2016-02-15
Motivated by recent work on asymptotically AdS{sub 4} black holes in M-theory, we investigate the thermodynamics and thermodynamical geometry of AdS black holes from M2- and M5-branes. Concretely, we consider AdS black holes in AdS{sub p+2} x S{sup 11-p-2}, where p = 2,5 by interpreting the number of M2- (and M5-branes) as a thermodynamical variable. More precisely, we study the corresponding phase transition to examine their stabilities by calculating and discussing various thermodynamical quantities including the chemical potential. Then we compute the thermodynamical curvatures from the Quevedo metric for M2- and M5-branes geometries to reconsider the stability of such black holes. The Quevedo metric singularities recover similar stability results provided by the phase-transition program. It has been shown that similar behaviors are also present in the limit of large N. (orig.)
On thermodynamics of AdS black holes in M-theory
International Nuclear Information System (INIS)
Belhaj, A.; Chabab, M.; Masmar, K.; El Moumni, H.; Sedra, M.B.
2016-01-01
Motivated by recent work on asymptotically AdS 4 black holes in M-theory, we investigate the thermodynamics and thermodynamical geometry of AdS black holes from M2- and M5-branes. Concretely, we consider AdS black holes in AdS p+2 x S 11-p-2 , where p = 2,5 by interpreting the number of M2- (and M5-branes) as a thermodynamical variable. More precisely, we study the corresponding phase transition to examine their stabilities by calculating and discussing various thermodynamical quantities including the chemical potential. Then we compute the thermodynamical curvatures from the Quevedo metric for M2- and M5-branes geometries to reconsider the stability of such black holes. The Quevedo metric singularities recover similar stability results provided by the phase-transition program. It has been shown that similar behaviors are also present in the limit of large N. (orig.)
Shnip, A. I.
2018-01-01
Based on the entropy-free thermodynamic approach, a generalized theory of thermodynamic systems with internal variables of state is being developed. For the case of nonlinear thermodynamic systems with internal variables of state and linear relaxation, the necessary and sufficient conditions have been proved for fulfillment of the second law of thermodynamics in entropy-free formulation which, according to the basic theorem of the theory, are also necessary and sufficient for the existence of a thermodynamic potential. Moreover, relations of correspondence between thermodynamic systems with memory and systems with internal variables of state have been established, as well as some useful relations in the spaces of states of both types of systems.
International Nuclear Information System (INIS)
Hwang, Jeong Ui; Jang, Jong Jae; Jee, Jong Gi
1987-01-01
The contents of this book are thermodynamics on the law of thermodynamics, classical thermodynamics and molecule thermodynamics, basics of molecule thermodynamics, molecule and assembly partition function, molecule partition function, classical molecule partition function, thermodynamics function for ideal assembly in fixed system, thermodynamics function for ideal assembly in running system, Maxwell-Boltzmann's law of distribution, chemical equilibrium like calculation of equilibrium constant and theory of absolute reaction rate.
The thermodynamics of quantum Yang-Mills theory theory and applications
Hofmann, Ralf
2016-01-01
This latest edition enhances the material of the first edition with a derivation of the value of the action for each of the Harrington-Shepard calorons/anticalorons that are relevant for the emergence of the thermal ground state. Also included are discussions of the caloron center versus its periphery, the role of the thermal ground state in U(1) wave propagation, photonic particle-wave duality, and calculational intricacies and book-keeping related to one-loop scattering of massless modes in the deconfining phase of an SU(2) Yang-Mills theory. Moreover, a derivation of the temperature-redshift relation of the CMB in deconfining SU(2) Yang-Mills thermodynamics and its application to explaining an apparent early re-ionization of the Universe are given. Finally, a mechanism of mass generation for cosmic neutrinos is proposed.
International Nuclear Information System (INIS)
Zanchini, E.
1988-01-01
The definition of energy, in thermodynamics, is dependent by starting operative definitions of the basic concepts of physics on which it rests, such as those of isolated systems, ambient of a system, separable system and set of separable states. Then the definition of energy is rigorously extended to open systems. The extension gives a clear physical meaning to the concept of energy difference between two states with arbitrary different compositions
On Thermodynamical Relation Between Rotating Charged BTZ Black Holes and Effective String Theory
Institute of Scientific and Technical Information of China (English)
Alexis Larra(~n)aga
2008-01-01
In this paper we study the first law of thermodynamics for the (2+1)-dimensional rotating charged BTZ black hole considering a pair of thermodynamical systems constructed with the two horizons of this solution. We show that these two systems are similar to the right and left movers of string theory and that the temperature associated with the black hole is the harmonic mean of the temperatures associated with these two systems.
A thermodynamically consistent constitutive theory for a rigid solid-stokesian fluid mixture
International Nuclear Information System (INIS)
Mattos, H.C.; Costa, M.L.M.; Sampaio, R.; Gama, R.M.S. da.
1992-01-01
This work is concerned with the modelling for the flow of a stokesian fluid through a rigid porous medium, using a Theory of Mixtures viewpoint. A systematic procedure to obtain constitutive relations that verify automatically the principle of objectivity and a local version of the second law of Thermodynamics is proposed. The prescription of two thermodynamic potentials for each constituent is sufficient to define a complete set of constitutive relations. (author)
Principles of hyperplasticity an approach to plasticity theory based on thermodynamic principles
Houlsby, Guy T
2007-01-01
A new approach to plasticity theory firmly routed in and compatible with the laws of thermodynamicsProvides a common basis for the formulation and comparison of many existing plasticity modelsIncorporates and introduction to elasticity, plasticity, thermodynamics and their interactionsShows the reader how to formulate constitutive models completely specified by two scalar potential functions from which the incremental responses of any hyperplastic model can be derived.
International Nuclear Information System (INIS)
Tamaki, Takashi; Torii, Takashi; Maeda, Kei-ichi
2003-01-01
We perform a linear perturbation analysis for black hole solutions with a 'massive' Yang-Mills field (the Proca field) in Brans-Dicke theory and find that the results are quite consistent with those via catastrophe theory where thermodynamic variables play an intrinsic role. Based on this observation, we show the general relation between these two methods in generalized theories of gravity which are conformally related to the Einstein-Hilbert action
Evaluation of diffusion coefficients in multicomponent mixtures by means of the fluctuation theory
DEFF Research Database (Denmark)
Shapiro, Alexander
2003-01-01
We derive general expressions for diffusion coefficients in multicomponent non-ideal gas or liquid mixtures. The derivation is based on the general statistical theory of fluctuations around an equilibrium state. The matrix of diffusion coefficients is expressed in terms of the equilibrium...... characteristics. We demonstrate on several examples that the developed theory is in agreement with the established experimental facts and dependencies for the diffusion coefficients. (C) 2002 Elsevier Science B.V. All rights reserved....
Constructal theory through thermodynamics of irreversible processes framework
International Nuclear Information System (INIS)
Tescari, S.; Mazet, N.; Neveu, P.
2011-01-01
Highlights: → Point to area flow problem is solved through Thermodynamics of irreversible processes. → A new optimisation criterion is defined: the exergy or entropy impedance. → Optimisation is performed following two different routes, constructal or global. → Global optimisation is more efficient than constructal optimisation. → Global optimisation enhances the domain of construct benefits. - Abstract: Point to volume flow problem is revisited on a thermodynamics of irreversible processes (TIP) basis. The first step consists in evaluating the local entropy production of the system, and deducing from this expression the phenomenological laws. Then, the total entropy production can be simply evaluated. It is demonstrated that total entropy production can be written in a remarkable form: the product of the so-called entropy impedance with the square of the heat flux. As the heat flux is given, optimisation consists in minimising the entropy impedance. It is also shown that minimising entropy impedance minimises the maximum temperature difference. Applied to the elemental volume, this optimisation process leads to a shape factor close to the one already published. For the first construction, the equivalent system is defined as stated by Prigogine: when subjected to the same constraints, two systems are thermodynamically equivalent if their entropy production is equal. Two optimisation routes are then investigated: a global optimisation where all scales are taken into account and the constructal optimisation where the system is optimised scale by scale. In this second case, results are close to Ghodossi's work. When global optimisation is performed, it is demonstrated that conductive paths have to be spread uniformly in the active material (i.e. the number of elemental volumes must go to infinite). Comparing the two routes, global optimisation leads to better performance than constructal optimisation. Moreover, global optimisation enlarges the domain of
Fluctuations effects in diblock copolymer fluids: Comparison of theories and experiment
International Nuclear Information System (INIS)
Guenza, M.; Schweizer, K.S.
1997-01-01
The analytic Polymer Reference Interaction Site Model (PRISM) theory of structurally and interaction symmetric Gaussian diblock copolymer fluids is reformulated, extended, and applied to make predictions for experimentally observable equilibrium properties of the disordered state. These include the temperature, degree of polymerization, copolymer composition, and polymer density or concentration dependences of the peak scattering intensity, effective chi-parameter, and heat capacity. The location of the order-disorder transition is empirically estimated based on the disordered, strongly fluctuating state scattering function. Detailed numerical applications of PRISM theory demonstrates it provides an excellent description of the data. An in depth comparison of the mathematical structure and predictions of PRISM theory with the highly coarse-grained, incompressible Brazovski endash Leibler endash Fredrickson endash Helfand (BLFH) fluctuation corrected field theory is also carried out. Under some conditions (nearly symmetric composition, high melt densities, moderate temperatures) there are striking mathematical similarities between the predictions of the physically very different theories, although quantitative differences always persist. However, for strongly asymmetric copolymer compositions, short chains, compressible copolymer solutions, and low temperatures many qualitative differences emerge. The possibility of multiple, self-consistent fluctuation feedback mechanisms within the most general PRISM approach are identified, their qualitative features discussed, and contrasted with alternative versions of the fluctuation-corrected incompressible field theories due to BLFH and Stepanow. The predictions of PRISM and BLFH theory for the composition, copolymer density, temperature, and molecular weight dependence of the effective chi-parameter are presented and qualitatively compared with recent experiments. copyright 1997 American Institute of Physics
Thermodynamic dissipation theory for the origin of life
Michaelian, K.
2011-03-01
Understanding the thermodynamic function of life may shed light on its origin. Life, as are all irreversible processes, is contingent on entropy production. Entropy production is a measure of the rate of the tendency of Nature to explore available microstates. The most important irreversible process generating entropy in the biosphere and, thus, facilitating this exploration, is the absorption and transformation of sunlight into heat. Here we hypothesize that life began, and persists today, as a catalyst for the absorption and dissipation of sunlight on the surface of Archean seas. The resulting heat could then be efficiently harvested by other irreversible processes such as the water cycle, hurricanes, and ocean and wind currents. RNA and DNA are the most efficient of all known molecules for absorbing the intense ultraviolet light that penetrated the dense early atmosphere and are remarkably rapid in transforming this light into heat in the presence of liquid water. From this perspective, the origin and evolution of life, inseparable from water and the water cycle, can be understood as resulting from the natural thermodynamic imperative of increasing the entropy production of the Earth in its interaction with its solar environment. A mechanism is proposed for the reproduction of RNA and DNA without the need for enzymes, promoted instead through UV light dissipation and diurnal temperature cycling of the Archean sea-surface.
International Nuclear Information System (INIS)
Krommes, John A.
2007-01-01
The present state of the theory of fluctuations in gyrokinetic (GK) plasmas and especially its application to sampling noise in GK particle-in-cell (PIC) simulations is reviewed. Topics addressed include the Δf method, the fluctuation-dissipation theorem for both classical and GK many-body plasmas, the Klimontovich formalism, sampling noise in PIC simulations, statistical closure for partial differential equations, the theoretical foundations of spectral balance in the presence of arbitrary noise sources, and the derivation of Kadomtsev-type equations from the general formalism
Energy Technology Data Exchange (ETDEWEB)
John A. Krommes
2007-10-09
The present state of the theory of fluctuations in gyrokinetic GK plasmas and especially its application to sampling noise in GK particle-in-cell PIC simulations is reviewed. Topics addressed include the Δf method, the fluctuation-dissipation theorem for both classical and GK many-body plasmas, the Klimontovich formalism, sampling noise in PIC simulations, statistical closure for partial differential equations, the theoretical foundations of spectral balance in the presence of arbitrary noise sources, and the derivation of Kadomtsev-type equations from the general formalism.
Canonical operator formulation of nonequilibrium thermodynamics
International Nuclear Information System (INIS)
Mehrafarin, M.
1992-09-01
A novel formulation of nonequilibrium thermodynamics is proposed which emphasises the fundamental role played by the Boltzmann constant k in fluctuations. The equivalence of this and the stochastic formulation is demonstrated. The k → 0 limit of this theory yields the classical deterministic description of nonequilibrium thermodynamics. The new formulation possesses unique features which bear two important results namely the thermodynamic uncertainty principle and the quantisation of entropy production rate. Such a theory becomes indispensable whenever fluctuations play a significant role. (author). 7 refs
Quantum theory and statistical thermodynamics principles and worked examples
Hertel, Peter
2017-01-01
This textbook presents a concise yet detailed introduction to quantum physics. Concise, because it condenses the essentials to a few principles. Detailed, because these few principles – necessarily rather abstract – are illustrated by several telling examples. A fairly complete overview of the conventional quantum mechanics curriculum is the primary focus, but the huge field of statistical thermodynamics is covered as well. The text explains why a few key discoveries shattered the prevailing broadly accepted classical view of physics. First, matter appears to consist of particles which, when propagating, resemble waves. Consequently, some observable properties cannot be measured simultaneously with arbitrary precision. Second, events with single particles are not determined, but are more or less probable. The essence of this is that the observable properties of a physical system are to be represented by non-commuting mathematical objects instead of real numbers. Chapters on exceptionally simple, but h...
Local thermodynamic mapping for effective liquid density-functional theory
Kyrlidis, Agathagelos; Brown, Robert A.
1992-01-01
The structural-mapping approximation introduced by Lutsko and Baus (1990) in the generalized effective-liquid approximation is extended to include a local thermodynamic mapping based on a spatially dependent effective density for approximating the solid phase in terms of the uniform liquid. This latter approximation, called the local generalized effective-liquid approximation (LGELA) yields excellent predictions for the free energy of hard-sphere solids and for the conditions of coexistence of a hard-sphere fcc solid with a liquid. Moreover, the predicted free energy remains single valued for calculations with more loosely packed crystalline structures, such as the diamond lattice. The spatial dependence of the weighted density makes the LGELA useful in the study of inhomogeneous solids.
Eichhorn, Ralf; Aurell, Erik
2014-04-01
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
Life’s a Gas: A Thermodynamic Theory of Biological Evolution
Directory of Open Access Journals (Sweden)
Keith R. Skene
2015-07-01
Full Text Available This paper outlines a thermodynamic theory of biological evolution. Beginning with a brief summary of the parallel histories of the modern evolutionary synthesis and thermodynamics, we use four physical laws and processes (the first and second laws of thermodynamics, diffusion and the maximum entropy production principle to frame the theory. Given that open systems such as ecosystems will move towards maximizing dispersal of energy, we expect biological diversity to increase towards a level, Dmax, representing maximum entropic production (Smax. Based on this theory, we develop a mathematical model to predict diversity over the last 500 million years. This model combines diversification, post-extinction recovery and likelihood of discovery of the fossil record. We compare the output of this model with that of the observed fossil record. The model predicts that life diffuses into available energetic space (ecospace towards a dynamic equilibrium, driven by increasing entropy within the genetic material. This dynamic equilibrium is punctured by extinction events, which are followed by restoration of Dmax through diffusion into available ecospace. Finally we compare and contrast our thermodynamic theory with the MES in relation to a number of important characteristics of evolution (progress, evolutionary tempo, form versus function, biosphere architecture, competition and fitness.
Tateiwa, Naoyuki; Pospíšil, Jiří; Haga, Yoshinori; Sakai, Hironori; Matsuda, Tatsuma D.; Yamamoto, Etsuji
2017-07-01
We have carried out an analysis of magnetic data in 69 uranium, 7 neptunium, and 4 plutonium ferromagnets with the spin fluctuation theory developed by Takahashi [Y. Takahashi, J. Phys. Soc. Jpn. 55, 3553 (1986), 10.1143/JPSJ.55.3553]. The basic and spin fluctuation parameters of the actinide ferromagnets are determined and the applicability of the spin fluctuation theory to actinide 5 f system has been discussed. Itinerant ferromagnets of the 3 d transition metals and their intermetallics follow a generalized Rhodes-Wohlfarth relation between peff/ps and TC/T0 , viz., peff/ps∝(TC/T0) -3 /2 . Here, ps, peff, TC, and T0 are the spontaneous and effective magnetic moments, the Curie temperature, and the width of spin fluctuation spectrum in energy space, respectively. The same relation is satisfied for TC/T0uranium and neptunium ferromagnets below (TC/T0)kink=0.32 ±0.02 , where a kink structure appears in relation between the two quantities. ps increases more weakly above (TC/T0)kink. A possible interpretation with the TC/T0 dependence of ps is given.
A Thermodynamical Theory with Internal Variables Describing Thermal Effects in Viscous Fluids
Ciancio, Vincenzo; Palumbo, Annunziata
2018-04-01
In this paper the heat conduction in viscous fluids is described by using the theory of classical irreversible thermodynamics with internal variables. In this theory, the deviation from the local equilibrium is characterized by vectorial internal variables and a generalized entropy current density expressed in terms of so-called current multipliers. Cross effects between heat conduction and viscosity are also considered and some phenomenological generalizations of Fourier's and Newton's laws are obtained.
Protein Signaling Networks from Single Cell Fluctuations and Information Theory Profiling
Shin, Young Shik; Remacle, F.; Fan, Rong; Hwang, Kiwook; Wei, Wei; Ahmad, Habib; Levine, R.D.; Heath, James R.
2011-01-01
Protein signaling networks among cells play critical roles in a host of pathophysiological processes, from inflammation to tumorigenesis. We report on an approach that integrates microfluidic cell handling, in situ protein secretion profiling, and information theory to determine an extracellular protein-signaling network and the role of perturbations. We assayed 12 proteins secreted from human macrophages that were subjected to lipopolysaccharide challenge, which emulates the macrophage-based innate immune responses against Gram-negative bacteria. We characterize the fluctuations in protein secretion of single cells, and of small cell colonies (n = 2, 3,···), as a function of colony size. Measuring the fluctuations permits a validation of the conditions required for the application of a quantitative version of the Le Chatelier's principle, as derived using information theory. This principle provides a quantitative prediction of the role of perturbations and allows a characterization of a protein-protein interaction network. PMID:21575571
DEFF Research Database (Denmark)
Galliero, Guillaume; Medvedev, Oleg; Shapiro, Alexander
2005-01-01
A 322 (2004) 151). In the current study, a fast molecular dynamics scheme has been developed to determine the values of the penetration lengths in Lennard-Jones binary systems. Results deduced from computations provide a new insight into the concept of penetration lengths. It is shown for four different...... fluctuation theory and molecular dynamics scheme exhibit consistent trends and average deviations from experimental data around 10-20%. (c) 2004 Elsevier B.V. All rights reserved....
Quantum Fluctuations and the Unruh effect in strongly-coupled conformal field theories
Cáceres, Elena; Chernicoff, Mariano; Güijosa, Alberto; Pedraza, Juan F.
2010-06-01
Through the AdS/CFT correspondence, we study a uniformly accelerated quark in the vacuum of strongly-coupled conformal field theories in various dimensions, and determine the resulting stochastic fluctuations of the quark trajectory. From the perspective of an inertial observer, these are quantum fluctuations induced by the gluonic radiation emitted by the accelerated quark. From the point of view of the quark itself, they originate from the thermal medium predicted by the Unruh effect. We scrutinize the relation between these two descriptions in the gravity side of the correspondence, and show in particular that upon transforming the conformal field theory from Rindler space to the open Einstein universe, the acceleration horizon disappears from the boundary theory but is preserved in the bulk. This transformation allows us to directly connect our calculation of radiation-induced fluctuations in vacuum with the analysis by de Boer et al. of the Brownian motion of a quark that is on average static within a thermal medium. Combining this same bulk transformation with previous results of Emparan, we are also able to compute the stress-energy tensor of the Unruh thermal medium.
Surface charge algebra in gauge theories and thermodynamic integrability
International Nuclear Information System (INIS)
Barnich, Glenn; Compere, Geoffrey
2008-01-01
Surface charges and their algebra in interacting Lagrangian gauge field theories are constructed out of the underlying linearized theory using techniques from the variational calculus. In the case of exact solutions and symmetries, the surface charges are interpreted as a Pfaff system. Integrability is governed by Frobenius' theorem and the charges associated with the derived symmetry algebra are shown to vanish. In the asymptotic context, we provide a generalized covariant derivation of the result that the representation of the asymptotic symmetry algebra through charges may be centrally extended. Comparison with Hamiltonian and covariant phase space methods is made. All approaches are shown to agree for exact solutions and symmetries while there are differences in the asymptotic context
Worked problems in heat, thermodynamics and kinetic theory for physics students
Pincherle, L; Green, L L
2013-01-01
Worked Problems in Heat, Thermodynamics and Kinetic Theory for Physics Students is a complementary to textbooks in physics. This book is a collection of exercise problems that have been part of tutorial classes in heat and thermodynamics at the University of London. This collection of exercise problems, with answers that are fully worked out, deals with various topics. This book poses problems covering the definition of temperature such as calculating the assigned value of the temperature of boiling water under specific conditions. This text also gives example of problems dealing with the fir
Thermodynamics and proton activities of protic ionic liquids with quantum cluster equilibrium theory
Ingenmey, Johannes; von Domaros, Michael; Perlt, Eva; Verevkin, Sergey P.; Kirchner, Barbara
2018-05-01
We applied the binary Quantum Cluster Equilibrium (bQCE) method to a number of alkylammonium-based protic ionic liquids in order to predict boiling points, vaporization enthalpies, and proton activities. The theory combines statistical thermodynamics of van-der-Waals-type clusters with ab initio quantum chemistry and yields the partition functions (and associated thermodynamic potentials) of binary mixtures over a wide range of thermodynamic phase points. Unlike conventional cluster approaches that are limited to the prediction of thermodynamic properties, dissociation reactions can be effortlessly included into the bQCE formalism, giving access to ionicities, as well. The method is open to quantum chemical methods at any level of theory, but combination with low-cost composite density functional theory methods and the proposed systematic approach to generate cluster sets provides a computationally inexpensive and mostly parameter-free way to predict such properties at good-to-excellent accuracy. Boiling points can be predicted within an accuracy of 50 K, reaching excellent accuracy for ethylammonium nitrate. Vaporization enthalpies are predicted within an accuracy of 20 kJ mol-1 and can be systematically interpreted on a molecular level. We present the first theoretical approach to predict proton activities in protic ionic liquids, with results fitting well into the experimentally observed correlation. Furthermore, enthalpies of vaporization were measured experimentally for some alkylammonium nitrates and an excellent linear correlation with vaporization enthalpies of their respective parent amines is observed.
Keeping Earth at work: Using thermodynamics to develop a holistic theory of the Earth system
Kleidon, Axel
2010-05-01
The Earth system is unique among terrestrial planets in that it is maintained in a state far from thermodynamic equilibrium. Practically all processes are irreversible in their nature, thereby producing entropy, and these would act to destroy this state of disequilibrium. In order to maintain disequilibrium in steady state, driving forces are required that perform the work to maintain the Earth system in a state far from equilibrium. To characterize the functioning of the Earth system and the interactions among its subsystems we need to consider all terms of the first and second law of thermodynamics. While the global energy balance is well established in climatology, the global entropy and work balances receive little, if any, attention. Here I will present first steps in developing a holistic theory of the Earth system including quantifications of the relevant terms that is based on the first and second laws of thermodynamics. This theory allows us to compare the significance of different processes in driving and maintaining disequilibrium, allows us to explore interactions by investigating the role of power transfer among processes, and specifically illustrate the significance of life in driving planetary disequilibrium. Furthermore, the global work balance demonstrates the significant impact of human activity and it provides an estimate for the availability of renewable sources of free energy within the Earth system. Hence, I conclude that a holistic thermodynamic theory of the Earth system is not just some academic exercise of marginal use, but essential for a profound understanding of the Earth system and its response to change.
On the thermodynamics of the Swift–Hohenberg theory
Espath, L. F. R.; Sarmiento, Adel; Dalcin, Lisandro; Calo, V. M.
2017-01-01
We present the microbalance including the microforces, the first- and second-order microstresses for the Swift–Hohenberg equation concomitantly with their constitutive equations, which are consistent with the free-energy imbalance. We provide an explicit form for the microstress structure for a free-energy functional endowed with second-order spatial derivatives. Additionally, we generalize the Swift–Hohenberg theory via a proper constitutive process. Finally, we present one highly resolved three-dimensional numerical simulation to demonstrate the particular form of the resulting microstresses and their interactions in the evolution of the Swift–Hohenberg equation.
On the thermodynamics of the Swift–Hohenberg theory
Espath, L. F. R.
2017-06-10
We present the microbalance including the microforces, the first- and second-order microstresses for the Swift–Hohenberg equation concomitantly with their constitutive equations, which are consistent with the free-energy imbalance. We provide an explicit form for the microstress structure for a free-energy functional endowed with second-order spatial derivatives. Additionally, we generalize the Swift–Hohenberg theory via a proper constitutive process. Finally, we present one highly resolved three-dimensional numerical simulation to demonstrate the particular form of the resulting microstresses and their interactions in the evolution of the Swift–Hohenberg equation.
On the thermodynamics of the Swift-Hohenberg theory
Espath, L. F. R.; Sarmiento, A. F.; Dalcin, L.; Calo, V. M.
2017-11-01
We present the microbalance including the microforces, the first- and second-order microstresses for the Swift-Hohenberg equation concomitantly with their constitutive equations, which are consistent with the free-energy imbalance. We provide an explicit form for the microstress structure for a free-energy functional endowed with second-order spatial derivatives. Additionally, we generalize the Swift-Hohenberg theory via a proper constitutive process. Finally, we present one highly resolved three-dimensional numerical simulation to demonstrate the particular form of the resulting microstresses and their interactions in the evolution of the Swift-Hohenberg equation.
A simple extrapolation of thermodynamic perturbation theory to infinite order
International Nuclear Information System (INIS)
Ghobadi, Ahmadreza F.; Elliott, J. Richard
2015-01-01
Recent analyses of the third and fourth order perturbation contributions to the equations of state for square well spheres and Lennard-Jones chains show trends that persist across orders and molecular models. In particular, the ratio between orders (e.g., A 3 /A 2 , where A i is the ith order perturbation contribution) exhibits a peak when plotted with respect to density. The trend resembles a Gaussian curve with the peak near the critical density. This observation can form the basis for a simple recursion and extrapolation from the highest available order to infinite order. The resulting extrapolation is analytic and therefore cannot fully characterize the critical region, but it remarkably improves accuracy, especially for the binodal curve. Whereas a second order theory is typically accurate for the binodal at temperatures within 90% of the critical temperature, the extrapolated result is accurate to within 99% of the critical temperature. In addition to square well spheres and Lennard-Jones chains, we demonstrate how the method can be applied semi-empirically to the Perturbed Chain - Statistical Associating Fluid Theory (PC-SAFT)
Thermodynamic Analysis of the Static Spherically Symmetric Field Equations in Rastall Theory
International Nuclear Information System (INIS)
Moradpour, Hooman; Salako, Ines G.
2016-01-01
The restrictions on the Rastall theory due to application of the Newtonian limit to the theory are derived. In addition, we use the zero-zero component of the Rastall field equations as well as the unified first law of thermodynamics to find the Misner-Sharp mass content confined to the event horizon of the spherically symmetric static spacetimes in the Rastall framework. The obtained relation is calculated for the Schwarzschild and de-Sitter back holes as two examples. Bearing the obtained relation for the Misner-Sharp mass in mind together with recasting the one-one component of the Rastall field equations into the form of the first law of thermodynamics, we obtain expressions for the horizon entropy and the work term. Finally, we also compare the thermodynamic quantities of system, including energy, entropy, and work, with their counterparts in the Einstein framework to have a better view about the role of the Rastall hypothesis on the thermodynamics of system.
Shang, Deyong
2017-01-01
The efficiency of a drainage pump should be tested at regular intervals to master the status of the drainage pump in real time and thus achieve the goal of saving energy. The ultrasonic flowmeter method is traditionally used to measure the flow of the pump. But there are some defects in this kind of method of underground coal mine. This paper first introduces the principle of testing the main drainage pump efficiency in coal mine using thermodynamic theories, then analyzes the energy transfor...
International Nuclear Information System (INIS)
Frank, T.D.
2002-01-01
We study many particle systems in the context of mean field forces, concentration-dependent diffusion coefficients, generalized equilibrium distributions, and quantum statistics. Using kinetic transport theory and linear nonequilibrium thermodynamics we derive for these systems a generalized multivariate Fokker-Planck equation. It is shown that this Fokker-Planck equation describes relaxation processes, has stationary maximum entropy distributions, can have multiple stationary solutions and stationary solutions that differ from Boltzmann distributions
A multi-species exchange model for fully fluctuating polymer field theory simulations.
Düchs, Dominik; Delaney, Kris T; Fredrickson, Glenn H
2014-11-07
Field-theoretic models have been used extensively to study the phase behavior of inhomogeneous polymer melts and solutions, both in self-consistent mean-field calculations and in numerical simulations of the full theory capturing composition fluctuations. The models commonly used can be grouped into two categories, namely, species models and exchange models. Species models involve integrations of functionals that explicitly depend on fields originating both from species density operators and their conjugate chemical potential fields. In contrast, exchange models retain only linear combinations of the chemical potential fields. In the two-component case, development of exchange models has been instrumental in enabling stable complex Langevin (CL) simulations of the full complex-valued theory. No comparable stable CL approach has yet been established for field theories of the species type. Here, we introduce an extension of the exchange model to an arbitrary number of components, namely, the multi-species exchange (MSE) model, which greatly expands the classes of soft material systems that can be accessed by the complex Langevin simulation technique. We demonstrate the stability and accuracy of the MSE-CL sampling approach using numerical simulations of triblock and tetrablock terpolymer melts, and tetrablock quaterpolymer melts. This method should enable studies of a wide range of fluctuation phenomena in multiblock/multi-species polymer blends and composites.
DEFF Research Database (Denmark)
Lindgård, Per-Anker; Mouritsen, Ole G.
1990-01-01
We discuss central questions in weak, first-order structural transitions by means of a magnetic analog model. A theory including fluctuation effects is developed for the model, showing a dynamical response with softening, fading modes and a growing central peak. The model is also analyzed by a two......-dimensional Monte Carlo simulation, showing clear precursor phenomena near the first-order transition and spontaneous nucleation. The kinetics of the domain growth is studied and found to be exceedingly slow. The results are applicable for martensitic transformations and structural surface...
Coherence and measurement in quantum thermodynamics.
Kammerlander, P; Anders, J
2016-02-26
Thermodynamics is a highly successful macroscopic theory widely used across the natural sciences and for the construction of everyday devices, from car engines to solar cells. With thermodynamics predating quantum theory, research now aims to uncover the thermodynamic laws that govern finite size systems which may in addition host quantum effects. Recent theoretical breakthroughs include the characterisation of the efficiency of quantum thermal engines, the extension of classical non-equilibrium fluctuation theorems to the quantum regime and a new thermodynamic resource theory has led to the discovery of a set of second laws for finite size systems. These results have substantially advanced our understanding of nanoscale thermodynamics, however putting a finger on what is genuinely quantum in quantum thermodynamics has remained a challenge. Here we identify information processing tasks, the so-called projections, that can only be formulated within the framework of quantum mechanics. We show that the physical realisation of such projections can come with a non-trivial thermodynamic work only for quantum states with coherences. This contrasts with information erasure, first investigated by Landauer, for which a thermodynamic work cost applies for classical and quantum erasure alike. Repercussions on quantum work fluctuation relations and thermodynamic single-shot approaches are also discussed.
Pressure dependence of critical temperature of bulk FeSe from spin fluctuation theory
Hirschfeld, Peter; Kreisel, Andreas; Wang, Yan; Tomic, Milan; Jeschke, Harald; Jacko, Anthony; Valenti, Roser; Maier, Thomas; Scalapino, Douglas
2013-03-01
The critical temperature of the 8K superconductor FeSe is extremely sensitive to pressure, rising to a maximum of 40K at about 10GPa. We test the ability of the current generation of fluctuation exchange pairing theories to account for this effect, by downfolding the density functional theory electronic structure for each pressure to a tight binding model. The Fermi surface found in such a procedure is then used with fixed Hubbard parameters to determine the pairing strength using the random phase approximation for the spin singlet pairing vertex. We find that the evolution of the Fermi surface captured by such an approach is alone not sufficient to explain the observed pressure dependence, and discuss alternative approaches. PJH, YW, AK were supported by DOE DE-FG02-05ER46236, the financial support of MT, HJ, and RV from the DFG Schwerpunktprogramm 1458 is kindly acknowledged.
Four-dimensional Yang-Mills theory, gauge invariant mass and fluctuating three-branes
International Nuclear Information System (INIS)
Niemi, Antti J; Slizovskiy, Sergey
2010-01-01
We are interested in a gauge invariant coupling between four-dimensional Yang-Mills field and a three-brane that can fluctuate into higher dimensions. For this we interpret the Yang-Mills theory as a higher dimensional bulk gravity theory with dynamics that is governed by the Einstein action, and with a metric tensor constructed from the gauge field in a manner that displays the original gauge symmetry as an isometry. The brane moves in this higher dimensional spacetime under the influence of its bulk gravity, with dynamics determined by the Nambu action. This introduces the desired interaction between the brane and the gauge field in a way that preserves the original gauge invariance as an isometry of the induced metric. After a prudent change of variables the result can be interpreted as a gauge invariant and massive vector field that propagates in the original spacetime R 4 . The presence of the brane becomes entirely invisible, expect for the mass.
Thermodynamic perturbation theory for fused hard-sphere and hard-disk chain fluids
International Nuclear Information System (INIS)
Zhou, Y.; Hall, C.K.; Stell, G.
1995-01-01
We find that first-order thermodynamic perturbation theory (TPT1) which incorporates the reference monomer fluid used in the generalized Flory--AB (GF--AB) theory yields an equation of state for fused hard-sphere (FHS) chain fluids that has accuracy comparable to the GF--AB and GF--dimer--AC theories. The new TPT1 equation of state is significantly more accurate than other extensions of the TPT1 theory to FHS chain fluids. The TPT1 is also extended to two-dimensional fused hard-disk chain fluids. For the fused hard-disk dimer fluid, the extended TPT1 equation of state is found to be more accurate than the Boublik hard-disk dimer equation of state. copyright 1995 American Institute of Physics
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Deyong Shang
2017-01-01
Full Text Available The efficiency of a drainage pump should be tested at regular intervals to master the status of the drainage pump in real time and thus achieve the goal of saving energy. The ultrasonic flowmeter method is traditionally used to measure the flow of the pump. But there are some defects in this kind of method of underground coal mine. This paper first introduces the principle of testing the main drainage pump efficiency in coal mine using thermodynamic theories, then analyzes the energy transformation during the process of draining water, and finally derives the calculation formulae of the pump efficiency, which meet the on-site precision of engineering. On the basis of analyzing the theories, the protective sleeve and the base of the temperature sensor are designed to measure the water temperature at inlet and outlet of the pump. The efficiencies of pumps with two specifications are measured, respectively, by using the thermodynamic method and ultrasonic flowmeter method. By contrast, the results show that thermodynamic method can satisfy the precision of the testing requirements accuracy for high-flow and high-lift drainage pump under normal temperatures. Moreover, some measures are summed up to improve the accuracy of testing the pump efficiency, which are of guiding significance for on-site testing of the main drainage pump efficiency in coal mine.
How to make thermodynamic perturbation theory to be suitable for low temperature?
Zhou, Shiqi
2009-02-07
Low temperature unsuitability is a problem plaguing thermodynamic perturbation theory (TPT) for years. Present investigation indicates that the low temperature predicament can be overcome by employing as reference system a nonhard sphere potential which incorporates one part of the attractive ingredient in a potential function of interest. In combination with a recently proposed TPT [S. Zhou, J. Chem. Phys. 125, 144518 (2006)] based on a lambda expansion (lambda being coupling parameter), the new perturbation strategy is employed to predict for several model potentials. It is shown that the new perturbation strategy can very accurately predict various thermodynamic properties even if the potential range is extremely short and hence the temperature of interest is very low and current theoretical formalisms seriously deteriorate or critically fail to predict even the existence of the critical point. Extensive comparison with existing liquid state theories and available computer simulation data discloses a superiority of the present TPT to two Ornstein-Zernike-type integral equation theories, i.e., hierarchical reference theory and self-consistent Ornstein-Zernike approximation.
Murray, James M; Tesanović, Zlatko
2010-07-16
A Ginzburg-Landau approach to fluctuations of a layered superconductor in a magnetic field is used to show that the interlayer coupling can be incorporated within an interacting self-consistent theory of a single layer, in the limit of a large number of neighboring layers. The theory exhibits two phase transitions-a vortex liquid-to-solid transition is followed by a Bose-Einstein condensation into the Abrikosov lattice-illustrating the essential role of interlayer coupling. By using this theory, explicit expressions for magnetization, specific heat, and fluctuation conductivity are derived. We compare our results with recent experimental data on the iron-pnictide superconductors.
Nguyen, Crystal N; Young, Tom Kurtzman; Gilson, Michael K
2012-07-28
The displacement of perturbed water upon binding is believed to play a critical role in the thermodynamics of biomolecular recognition, but it is nontrivial to unambiguously define and answer questions about this process. We address this issue by introducing grid inhomogeneous solvation theory (GIST), which discretizes the equations of inhomogeneous solvation theory (IST) onto a three-dimensional grid situated in the region of interest around a solute molecule or complex. Snapshots from explicit solvent simulations are used to estimate localized solvation entropies, energies, and free energies associated with the grid boxes, or voxels, and properly summing these thermodynamic quantities over voxels yields information about hydration thermodynamics. GIST thus provides a smoothly varying representation of water properties as a function of position, rather than focusing on hydration sites where solvent is present at high density. It therefore accounts for full or partial displacement of water from sites that are highly occupied by water, as well as for partly occupied and water-depleted regions around the solute. GIST can also provide a well-defined estimate of the solvation free energy and therefore enables a rigorous end-states analysis of binding. For example, one may not only use a first GIST calculation to project the thermodynamic consequences of displacing water from the surface of a receptor by a ligand, but also account, in a second GIST calculation, for the thermodynamics of subsequent solvent reorganization around the bound complex. In the present study, a first GIST analysis of the molecular host cucurbit[7]uril is found to yield a rich picture of hydration structure and thermodynamics in and around this miniature receptor. One of the most striking results is the observation of a toroidal region of high water density at the center of the host's nonpolar cavity. Despite its high density, the water in this toroidal region is disfavored energetically and
Dehghani, M.
2018-02-01
Making use of the suitable transformation relations, the action of three-dimensional Einstein-Maxwell-dilaton gravity theory has been obtained from that of scalar-tensor modified gravity theory coupled to the Maxwell's electrodynamics as the matter field. Two new classes of the static three-dimensional charged dilatonic black holes, as the exact solutions to the coupled scalar, electromagnetic and gravitational field equations, have been obtained in the Einstein frame. Also, it has been found that the scalar potential can be written in the form of a generalized Liouville-type potential. The conserved black hole charge and masses as well as the black entropy, temperature, and electric potential have been calculated from the geometrical and thermodynamical approaches, separately. Through comparison of the results arisen from these two alternative approaches, the validity of the thermodynamical first law has been proved for both of the new black hole solutions in the Einstein frame. Making use of the canonical ensemble method, a black hole stability or phase transition analysis has been performed. Regarding the black hole heat capacity, with the black hole charge as a constant, the points of type-1 and type-2 phase transitions have been determined. Also, the ranges of the black hole horizon radius at which the Einstein black holes are thermally stable have been obtained for both of the new black hole solutions. Then making use of the inverse transformation relations, two new classes of the string black hole solutions have been obtained from their Einstein counterpart. The thermodynamics and thermal stability of the new string black hole solutions have been investigated. It has been found that thermodynamic properties of the new charged black holes are identical in the Einstein and Jordan frames.
Limits of predictions in thermodynamic systems: a review
Marsland, Robert, III; England, Jeremy
2018-01-01
The past twenty years have seen a resurgence of interest in nonequilibrium thermodynamics, thanks to advances in the theory of stochastic processes and in their thermodynamic interpretation. Fluctuation theorems provide fundamental constraints on the dynamics of systems arbitrarily far from thermal equilibrium. Thermodynamic uncertainty relations bound the dissipative cost of precision in a wide variety of processes. Concepts of excess work and excess heat provide the basis for a complete thermodynamics of nonequilibrium steady states, including generalized Clausius relations and thermodynamic potentials. But these general results carry their own limitations: fluctuation theorems involve exponential averages that can depend sensitively on unobservably rare trajectories; steady-state thermodynamics makes use of a dual dynamics that lacks any direct physical interpretation. This review aims to present these central results of contemporary nonequilibrium thermodynamics in such a way that the power of each claim for making physical predictions can be clearly assessed, using examples from current topics in soft matter and biophysics.
Thermodynamic and transport properties of nitrogen fluid: Molecular theory and computer simulations
Eskandari Nasrabad, A.; Laghaei, R.
2018-04-01
Computer simulations and various theories are applied to compute the thermodynamic and transport properties of nitrogen fluid. To model the nitrogen interaction, an existing potential in the literature is modified to obtain a close agreement between the simulation results and experimental data for the orthobaric densities. We use the Generic van der Waals theory to calculate the mean free volume and apply the results within the modified Cohen-Turnbull relation to obtain the self-diffusion coefficient. Compared to experimental data, excellent results are obtained via computer simulations for the orthobaric densities, the vapor pressure, the equation of state, and the shear viscosity. We analyze the results of the theory and computer simulations for the various thermophysical properties.
Nonequilibrium thermodynamics of restricted Boltzmann machines
Salazar, Domingos S. P.
2017-08-01
In this work, we analyze the nonequilibrium thermodynamics of a class of neural networks known as restricted Boltzmann machines (RBMs) in the context of unsupervised learning. We show how the network is described as a discrete Markov process and how the detailed balance condition and the Maxwell-Boltzmann equilibrium distribution are sufficient conditions for a complete thermodynamics description, including nonequilibrium fluctuation theorems. Numerical simulations in a fully trained RBM are performed and the heat exchange fluctuation theorem is verified with excellent agreement to the theory. We observe how the contrastive divergence functional, mostly used in unsupervised learning of RBMs, is closely related to nonequilibrium thermodynamic quantities. We also use the framework to interpret the estimation of the partition function of RBMs with the annealed importance sampling method from a thermodynamics standpoint. Finally, we argue that unsupervised learning of RBMs is equivalent to a work protocol in a system driven by the laws of thermodynamics in the absence of labeled data.
Nonequilibrium thermodynamics of restricted Boltzmann machines.
Salazar, Domingos S P
2017-08-01
In this work, we analyze the nonequilibrium thermodynamics of a class of neural networks known as restricted Boltzmann machines (RBMs) in the context of unsupervised learning. We show how the network is described as a discrete Markov process and how the detailed balance condition and the Maxwell-Boltzmann equilibrium distribution are sufficient conditions for a complete thermodynamics description, including nonequilibrium fluctuation theorems. Numerical simulations in a fully trained RBM are performed and the heat exchange fluctuation theorem is verified with excellent agreement to the theory. We observe how the contrastive divergence functional, mostly used in unsupervised learning of RBMs, is closely related to nonequilibrium thermodynamic quantities. We also use the framework to interpret the estimation of the partition function of RBMs with the annealed importance sampling method from a thermodynamics standpoint. Finally, we argue that unsupervised learning of RBMs is equivalent to a work protocol in a system driven by the laws of thermodynamics in the absence of labeled data.
Directory of Open Access Journals (Sweden)
Yu.G.Rudoy
2005-01-01
Full Text Available The concept of effective temperature (ET T*(T0, T is used in order to approximately "quantize" the thermodynamic functions of the dynamical object which is in the thermal equilibrium with thermal bath being at constant temperature T (T0=E0/kB, where E0 is the ground-state energy, kB - Boltzmann constant, is the characteristic ``quantum'' temperature of the system itself. On these grounds the extensive comparative investigation is carried out for the ``standard model'' of statistical mechanics - the one-dimensional harmonic oscillator (HO. Three well-known approaches are considered and their thermodynamic consequences thoroughly studied. These are: the exact quantum, or non-classical Planck-Einstein approach, intermediate, or semiclassical Bloch-Wigner approach and, finally, the pure classical, or Maxwell-Boltzmann approach.
International Nuclear Information System (INIS)
Wu, Wei; Wang, Jin
2014-01-01
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 and 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
Lebon, G.; Jou, D.
2015-06-01
This paper gives a historical account of the early years (1953-1983) of extended irreversible thermodynamics (EIT). The salient features of this formalism are to upgrade the thermodynamic fluxes of mass, momentum, energy, and others, to the status of independent variables, and to explore the consistency between generalized transport equations and a generalized version of the second law of thermodynamics. This requires going beyond classical irreversible thermodynamics by redefining entropy and entropy flux. EIT provides deeper foundations, closer relations with microscopic formalisms, a wider spectrum of applications, and a more exciting conceptual appeal to non-equilibrium thermodynamics. We first recall the historical contributions by Maxwell, Cattaneo, and Grad on generalized transport equations. A thermodynamic theory wide enough to cope with such transport equations was independently proposed between 1953 and 1983 by several authors, each emphasizing different kinds of problems. In 1983, the first international meeting on this theory took place in Bellaterra (Barcelona). It provided the opportunity for the various authors to meet together for the first time and to discuss the common points and the specific differences of their previous formulations. From then on, a large amount of applications and theoretical confirmations have emerged. From the historical point of view, the emergence of EIT has been an opportunity to revisit the foundations and to open new avenues in thermodynamics, one of the most classical and well consolidated physical theories.
Molecular-thermodynamic theory of micellization of pH-sensitive surfactants.
Goldsipe, Arthur; Blankschtein, Daniel
2006-04-11
A predictive, molecular-thermodynamic theory is developed to model the micellization of pH-sensitive surfactants. The theory combines a molecular-thermodynamic description of micellization in binary surfactant mixtures with the protonation equilibrium of the surfactant monomers. The thermodynamic component of the theory models the pH-mediated equilibrium between micelles, surfactant monomers, and counterions. These counterions may originate from the surfactant or from added salt, acid, or base. The molecular component of the theory models the various contributions to the free energy of micellization, which corresponds to the free-energy change associated with forming a mixed micelle from the protonated and deprotonated forms of the surfactant and from the bound counterions. The free energy of micellization includes hydrophobic, interfacial, packing, steric, electrostatic, and entropic contributions, which are all calculated molecularly. The theory also requires knowledge of the surfactant molecular structure and the solution conditions, including the temperature and the amount of any added salt, acid, or base. To account for the pH sensitivity of the surfactant, the theory requires knowledge of the surfactant monomer equilibrium deprotonation constant (pK1), which may be obtained from experimental titration data obtained below the critical micelle concentration (cmc). The theory can be utilized to predict the equilibrium micelle and solution properties, including the cmc, the micelle composition, the micelle shape and aggregation number, the solution pH, and the micelle deprotonation equilibrium constant (pKm). Theoretical predictions of the cmc, the micelle aggregation number, and the pKm compare favorably with the available experimental data for alkyldimethylamine oxide surfactants. This class of pH-sensitive surfactants exhibits a form of self-synergy, which has previously been attributed to hydrogen-bond formation at the micelle interface. Instead, we show that
International Nuclear Information System (INIS)
Neimark, Alexander V; Ravikovitch, Peter I; Vishnyakov, Aleksey
2003-01-01
With the example of the capillary condensation of Lennard-Jones fluid in nanopores ranging from 1 to 10 nm, we show that the non-local density functional theory (NLDFT) with properly chosen parameters of intermolecular interactions bridges the scale gap from molecular simulations to macroscopic thermodynamics. On the one hand, NLDFT correctly approximates the results of Monte Carlo simulations (shift of vapour-liquid equilibrium, spinodals, density profiles, adsorption isotherms) for pores wider than about 2 nm. On the other hand, NLDFT smoothly merges (above 7-10 nm) with the Derjaguin-Broekhoff-de Boer equations which represent augmented Laplace-Kelvin equations of capillary condensation and desorption
Thermodynamic scaling of dynamics in polymer melts: predictions from the generalized entropy theory.
Xu, Wen-Sheng; Freed, Karl F
2013-06-21
Many glass-forming fluids exhibit a remarkable thermodynamic scaling in which dynamic properties, such as the viscosity, the relaxation time, and the diffusion constant, can be described under different thermodynamic conditions in terms of a unique scaling function of the ratio ρ(γ)∕T, where ρ is the density, T is the temperature, and γ is a material dependent constant. Interest in the scaling is also heightened because the exponent γ enters prominently into considerations of the relative contributions to the dynamics from pressure effects (e.g., activation barriers) vs. volume effects (e.g., free volume). Although this scaling is clearly of great practical use, a molecular understanding of the scaling remains elusive. Providing this molecular understanding would greatly enhance the utility of the empirically observed scaling in assisting the rational design of materials by describing how controllable molecular factors, such as monomer structures, interactions, flexibility, etc., influence the scaling exponent γ and, hence, the dynamics. Given the successes of the generalized entropy theory in elucidating the influence of molecular details on the universal properties of glass-forming polymers, this theory is extended here to investigate the thermodynamic scaling in polymer melts. The predictions of theory are in accord with the appearance of thermodynamic scaling for pressures not in excess of ~50 MPa. (The failure at higher pressures arises due to inherent limitations of a lattice model.) In line with arguments relating the magnitude of γ to the steepness of the repulsive part of the intermolecular potential, the abrupt, square-well nature of the lattice model interactions lead, as expected, to much larger values of the scaling exponent. Nevertheless, the theory is employed to study how individual molecular parameters affect the scaling exponent in order to extract a molecular understanding of the information content contained in the exponent. The chain
Thermodynamic dislocation theory of high-temperature deformation in aluminum and steel
Energy Technology Data Exchange (ETDEWEB)
Le, K. C. [Ruhr-Univ Bochum, Bochum (Germany). Lehrstuhl fur Mechanik-Materialtheorie; Tran, T. M. [Ruhr-Univ Bochum, Bochum (Germany). Lehrstuhl fur Mechanik-Materialtheorie; Langer, J. S. [Univ. of California, Santa Barbara, CA (United States). Dept. of Physics
2017-07-12
The statistical-thermodynamic dislocation theory developed in previous papers is used here in an analysis of high-temperature deformation of aluminum and steel. Using physics-based parameters that we expect theoretically to be independent of strain rate and temperature, we are able to fit experimental stress-strain curves for three different strain rates and three different temperatures for each of these two materials. Here, our theoretical curves include yielding transitions at zero strain in agreement with experiment. We find that thermal softening effects are important even at the lowest temperatures and smallest strain rates.
Quantum Thermodynamics at Strong Coupling: Operator Thermodynamic Functions and Relations
Directory of Open Access Journals (Sweden)
Jen-Tsung Hsiang
2018-05-01
Full Text Available Identifying or constructing a fine-grained microscopic theory that will emerge under specific conditions to a known macroscopic theory is always a formidable challenge. Thermodynamics is perhaps one of the most powerful theories and best understood examples of emergence in physical sciences, which can be used for understanding the characteristics and mechanisms of emergent processes, both in terms of emergent structures and the emergent laws governing the effective or collective variables. Viewing quantum mechanics as an emergent theory requires a better understanding of all this. In this work we aim at a very modest goal, not quantum mechanics as thermodynamics, not yet, but the thermodynamics of quantum systems, or quantum thermodynamics. We will show why even with this minimal demand, there are many new issues which need be addressed and new rules formulated. The thermodynamics of small quantum many-body systems strongly coupled to a heat bath at low temperatures with non-Markovian behavior contains elements, such as quantum coherence, correlations, entanglement and fluctuations, that are not well recognized in traditional thermodynamics, built on large systems vanishingly weakly coupled to a non-dynamical reservoir. For quantum thermodynamics at strong coupling, one needs to reexamine the meaning of the thermodynamic functions, the viability of the thermodynamic relations and the validity of the thermodynamic laws anew. After a brief motivation, this paper starts with a short overview of the quantum formulation based on Gelin & Thoss and Seifert. We then provide a quantum formulation of Jarzynski’s two representations. We show how to construct the operator thermodynamic potentials, the expectation values of which provide the familiar thermodynamic variables. Constructing the operator thermodynamic functions and verifying or modifying their relations is a necessary first step in the establishment of a viable thermodynamics theory for
Energy Technology Data Exchange (ETDEWEB)
Braun-Munzinger, P., E-mail: p.braun-munzinger@gsi.de [Extreme Matter Institute EMMI, GSI, Darmstadt (Germany); Physikalisches Institut, Universität Heidelberg, Heidelberg (Germany); Rustamov, A., E-mail: a.rustamov@cern.ch [Physikalisches Institut, Universität Heidelberg, Heidelberg (Germany); National Nuclear Research Center, Baku (Azerbaijan); Stachel, J., E-mail: stachel@physi.uni-heidelberg.de [Physikalisches Institut, Universität Heidelberg, Heidelberg (Germany)
2017-04-15
We develop methods to deal with non-dynamical contributions to event-by-event fluctuation measurements of net-particle numbers in relativistic nuclear collisions. These contributions arise from impact parameter fluctuations and from the requirement of overall net-baryon number or net-charge conservation and may mask the dynamical fluctuations of interest, such as those due to critical endpoints in the QCD phase diagram. Within a model of independent particle sources we derive formulae for net-particle fluctuations and develop a rigorous approach to take into account contributions from participant fluctuations in realistic experimental environments and at any cumulant order. Interestingly, contributions from participant fluctuations to the second and third cumulants of net-baryon distributions are found to vanish at mid-rapidity for LHC energies while higher cumulants of even order are non-zero even when the net-baryon number at mid-rapidity is zero. At lower beam energies the effect of participant fluctuations increases and induces spurious higher moments. The necessary corrections become large and need to be carefully taken into account before comparison to theory. We also provide a procedure for selecting the optimal phase–space coverage of particles for fluctuation analyses and discuss quantitatively the necessary correction due to global charge conservation.
Grzywacz, Piotr; Qin, Jian; Morse, David C
2007-12-01
Attempts to use coarse-grained molecular theories to calculate corrections to the random-phase approximation (RPA) for correlations in polymer mixtures have been plagued by an unwanted sensitivity to the value of an arbitrary cutoff length, i.e., by an ultraviolet (UV) divergence. We analyze the UV divergence of the inverse structure factor S(-1)(k) predicted by a "one-loop" approximation similar to that used in several previous studies. We consider both miscible homopolymer blends and disordered diblock copolymer melts. We show, in both cases, that all UV divergent contributions can be absorbed into a renormalization of the values of the phenomenological parameters of a generalized self-consistent field theory (SCFT). This observation allows the construction of an UV convergent theory of corrections to SCFT phenomenology. The UV-divergent one-loop contribution to S(-1)(k) is shown to be the sum of (i) a k -independent contribution that arises from a renormalization of the effective chi parameter, (ii) a k-dependent contribution that arises from a renormalization of monomer statistical segment lengths, (iii) a contribution proportional to k(2) that arises from a square-gradient contribution to the one-loop fluctuation free energy, and (iv) a k-dependent contribution that is inversely proportional to the degree of polymerization, which arises from local perturbations in fluid structure near chain ends and near junctions between blocks in block copolymers.
Exceptional thermodynamics. The equation of state of G{sub 2} gauge theory
Energy Technology Data Exchange (ETDEWEB)
Bruno, Mattia [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Caselle, Michele [Torino Univ. (Italy). Dipt. di Fisica Teorica; INFN, Sezione di Torino (Italy); Panero, Marco [Univ. Autonoma de Madrid (Spain). Inst. de Fisica Teorica; Consejo Superior de Investigaciones Cientificas, Madrid (Spain); Pellegrini, Roberto [Swansea Univ. (United Kingdom). Dept. of Physics
2014-10-15
We present a lattice study of the equation of state in Yang-Mills theory based on the exceptional G{sub 2} gauge group. As is well-known, at zero temperature this theory shares many qualitative features with real-world QCD, including the absence of colored states in the spectrum and dynamical string breaking at large distances. In agreement with previous works, we show that at finite temperature this theory features a first-order deconfining phase transition, whose nature can be studied by a semi-classical computation. We also show that the equilibrium thermodynamic observables in the deconfined phase bear striking quantitative similarities with those found in SU(N) gauge theories: in particular, these quantities exhibit nearly perfect proportionality to the number of gluon degrees of freedom, and the trace anomaly reveals a characteristic quadratic dependence on the temperature, also observed in SU(N) Yang-Mills theories (both in four and in three spacetime dimensions). We compare our lattice data with analytical predictions from effective models, and discuss their implications for the deconfinement mechanism and high-temperature properties of strongly interacting, non-supersymmetric gauge theories. Our results give strong evidence for the conjecture that the thermal deconfining transition is governed by a universal mechanism, common to all simple gauge groups.
Exceptional thermodynamics. The equation of state of G2 gauge theory
International Nuclear Information System (INIS)
Bruno, Mattia; Panero, Marco; Pellegrini, Roberto
2014-10-01
We present a lattice study of the equation of state in Yang-Mills theory based on the exceptional G 2 gauge group. As is well-known, at zero temperature this theory shares many qualitative features with real-world QCD, including the absence of colored states in the spectrum and dynamical string breaking at large distances. In agreement with previous works, we show that at finite temperature this theory features a first-order deconfining phase transition, whose nature can be studied by a semi-classical computation. We also show that the equilibrium thermodynamic observables in the deconfined phase bear striking quantitative similarities with those found in SU(N) gauge theories: in particular, these quantities exhibit nearly perfect proportionality to the number of gluon degrees of freedom, and the trace anomaly reveals a characteristic quadratic dependence on the temperature, also observed in SU(N) Yang-Mills theories (both in four and in three spacetime dimensions). We compare our lattice data with analytical predictions from effective models, and discuss their implications for the deconfinement mechanism and high-temperature properties of strongly interacting, non-supersymmetric gauge theories. Our results give strong evidence for the conjecture that the thermal deconfining transition is governed by a universal mechanism, common to all simple gauge groups.
Electrostatic fluctuations in soap films
International Nuclear Information System (INIS)
Dean, D.S.; Horgan, R.R.
2002-01-01
A field theory to describe electrostatic interactions in soap films, described by electric multilayers with a generalized thermodynamic surface-charging mechanism, is studied. In the limit where the electrostatic interactions are weak, this theory is exactly soluble. The theory incorporates in a consistent way, the surface-charging mechanism and the fluctuations in the electrostatic field that correspond to the zero-frequency component of the van der Waals force. It is shown that these terms lead to a Casimir-like attraction that can be sufficiently large to explain the transition between the common black film to a Newton black film
Thermodynamics in Einstein's thought
International Nuclear Information System (INIS)
Klein, M.J.
1983-01-01
The role of the thermodynamical approach in the Einstein's scientific work is analyzed. The Einstein's development of a notion about statistical fluctuations of thermodynamical systems that leads him to discovery of corpuscular-wave dualism is retraced
Thermodynamically self-consistent theory for the Blume-Capel model.
Grollau, S; Kierlik, E; Rosinberg, M L; Tarjus, G
2001-04-01
We use a self-consistent Ornstein-Zernike approximation to study the Blume-Capel ferromagnet on three-dimensional lattices. The correlation functions and the thermodynamics are obtained from the solution of two coupled partial differential equations. The theory provides a comprehensive and accurate description of the phase diagram in all regions, including the wing boundaries in a nonzero magnetic field. In particular, the coordinates of the tricritical point are in very good agreement with the best estimates from simulation or series expansion. Numerical and analytical analysis strongly suggest that the theory predicts a universal Ising-like critical behavior along the lambda line and the wing critical lines, and a tricritical behavior governed by mean-field exponents.
An integrated optimization for organic Rankine cycle based on entransy theory and thermodynamics
International Nuclear Information System (INIS)
Li, Tailu; Fu, Wencheng; Zhu, Jialing
2014-01-01
The organic Rankine cycle has been one of the essential heat-work conversion technologies nowadays. Lots of effectual optimization methods are focused on the promotion of the system efficiency, which are mainly relied on engineering experience and numerical simulations rather than theoretical analysis. A theoretical integrated optimization method was established based on the entransy theory and thermodynamics, with the ratio of the net power output to the ratio of the total thermal conductance to the thermal conductance in the condenser as the objective function. The system parameters besides the optimal pinch point temperature difference were obtained. The results show that the mass flow rate of the working fluid is inversely proportional to the evaporating temperature. An optimal evaporating temperature maximizes the net power output, and the maximal net power output corresponds to the maximal entransy loss and the change points of the heat source outlet temperature and the change rates for the entropy generation and the entransy dissipation. Moreover, the net power output and the total thermal conductance are inversely proportional to the pinch point temperature difference, contradicting with each other. Under the specified condition, the optimal operating parameters are ascertained, with the optimal pinch point temperature difference of 5 K. - Highlights: • We establish an integrated optimization model for organic Rankine cycle. • The model combines the entransy theory with thermodynamics. • The maximal net power output corresponds to the maximal entransy loss. • The pinch point temperature difference is optimized to be 5 K
Müller, Ingo
1993-01-01
Physicists firmly believe that the differential equations of nature should be hyperbolic so as to exclude action at a distance; yet the equations of irreversible thermodynamics - those of Navier-Stokes and Fourier - are parabolic. This incompatibility between the expectation of physicists and the classical laws of thermodynamics has prompted the formulation of extended thermodynamics. After describing the motifs and early evolution of this new branch of irreversible thermodynamics, the authors apply the theory to mon-atomic gases, mixtures of gases, relativistic gases, and "gases" of phonons and photons. The discussion brings into perspective the various phenomena called second sound, such as heat propagation, propagation of shear stress and concentration, and the second sound in liquid helium. The formal mathematical structure of extended thermodynamics is exposed and the theory is shown to be fully compatible with the kinetic theory of gases. The study closes with the testing of extended thermodynamics thro...
Topics in fluctuating nonlinear hydrodynamics
International Nuclear Information System (INIS)
Milner, S.T.
1986-01-01
Models of fluctuating nonlinear hydrodynamics have enjoyed much success in explaining the effect of long-wavelength fluctuations in diverse hydrodynamic systems. This thesis explores two such problems; in both, the body of hydrodynamic assumptions powerfully constrains the predictions of a well-posed theory. The effects of layer fluctuations in smectic-A liquid crystals are first examined. The static theory (introduced by Grinstein and Pelcovits) is reviewed. Ward identities, resulting from the arbitrariness of the layering direction, are derived and exploited. The static results motivate an examination of dynamic fluctuation effects. A new sound-damping experiment is proposed that would probe singular dependence of viscosities on applied stress. A theory of Procaccia and Gitterman that reaction rates of chemically reacting binary mixtures are drastically reduced near their thermodynamic critical points is analyzed. Hydrodynamic arguments and Van Hove theory are applied, concluding that the PG idea is drastically slowed, and spatially varying composition fluctuations are at best slowed down over a narrow range of wavenumbers
de Paor, A. M.
Hide (Nonlinear Processes in Geophysics, 1998) has produced a new mathematical model of a self-exciting homopolar dynamo driving a series- wound motor, as a continuing contribution to the theory of the geomagnetic field. By a process of exact perturbation analysis, followed by combination and partial solution of differential equations, the complete nonlinear quenching of current fluctuations reported by Hide in the case that a parameter ɛ has the value 1 is proved via the Popov theorem from feedback system stability theory.
International Nuclear Information System (INIS)
Chen, Qun; Xu, Yun-Chao; Hao, Jun-Hong
2014-01-01
Highlights: • An optimization method for practical thermodynamic cycle is developed. • The entransy-based heat transfer analysis and thermodynamic analysis are combined. • Theoretical relation between system requirements and design parameters is derived. • The optimization problem can be converted into conditional extremum problem. • The proposed method provides several useful optimization criteria. - Abstract: A thermodynamic cycle usually consists of heat transfer processes in heat exchangers and heat-work conversion processes in compressors, expanders and/or turbines. This paper presents a new optimization method for effective improvement of thermodynamic cycle performance with the combination of entransy theory and thermodynamics. The heat transfer processes in a gas refrigeration cycle are analyzed by entransy theory and the heat-work conversion processes are analyzed by thermodynamics. The combination of these two analysis yields a mathematical relation directly connecting system requirements, e.g. cooling capacity rate and power consumption rate, with design parameters, e.g. heat transfer area of each heat exchanger and heat capacity rate of each working fluid, without introducing any intermediate variable. Based on this relation together with the conditional extremum method, we theoretically derive an optimization equation group. Simultaneously solving this equation group offers the optimal structural and operating parameters for every single gas refrigeration cycle and furthermore provides several useful optimization criteria for all the cycles. Finally, a practical gas refrigeration cycle is taken as an example to show the application and validity of the newly proposed optimization method
Sresht, Vishnu; Lewandowski, Eric P; Blankschtein, Daniel; Jusufi, Arben
2017-08-22
A molecular modeling approach is presented with a focus on quantitative predictions of the surface tension of aqueous surfactant solutions. The approach combines classical Molecular Dynamics (MD) simulations with a molecular-thermodynamic theory (MTT) [ Y. J. Nikas, S. Puvvada, D. Blankschtein, Langmuir 1992 , 8 , 2680 ]. The MD component is used to calculate thermodynamic and molecular parameters that are needed in the MTT model to determine the surface tension isotherm. The MD/MTT approach provides the important link between the surfactant bulk concentration, the experimental control parameter, and the surfactant surface concentration, the MD control parameter. We demonstrate the capability of the MD/MTT modeling approach on nonionic alkyl polyethylene glycol surfactants at the air-water interface and observe reasonable agreement of the predicted surface tensions and the experimental surface tension data over a wide range of surfactant concentrations below the critical micelle concentration. Our modeling approach can be extended to ionic surfactants and their mixtures with both ionic and nonionic surfactants at liquid-liquid interfaces.
Hesitant Fuzzy Thermodynamic Method for Emergency Decision Making Based on Prospect Theory.
Ren, Peijia; Xu, Zeshui; Hao, Zhinan
2017-09-01
Due to the timeliness of emergency response and much unknown information in emergency situations, this paper proposes a method to deal with the emergency decision making, which can comprehensively reflect the emergency decision making process. By utilizing the hesitant fuzzy elements to represent the fuzziness of the objects and the hesitant thought of the experts, this paper introduces the negative exponential function into the prospect theory so as to portray the psychological behaviors of the experts, which transforms the hesitant fuzzy decision matrix into the hesitant fuzzy prospect decision matrix (HFPDM) according to the expectation-levels. Then, this paper applies the energy and the entropy in thermodynamics to take the quantity and the quality of the decision values into account, and defines the thermodynamic decision making parameters based on the HFPDM. Accordingly, a whole procedure for emergency decision making is conducted. What is more, some experiments are designed to demonstrate and improve the validation of the emergency decision making procedure. Last but not the least, this paper makes a case study about the emergency decision making in the firing and exploding at Port Group in Tianjin Binhai New Area, which manifests the effectiveness and practicability of the proposed method.
Keshavarzi, Ezat; Kamalvand, Mohammad
2009-04-23
The structure and properties of fluids confined in nanopores may show a dramatic departure from macroscopic bulk fluids. The main reason for this difference lies in the influence of system walls. In addition to the entropic wall effect, system walls can significantly change the energy of the confined fluid compared to macroscopic bulk fluids. The energy effect of the walls on a nanoconfined fluid appears in two forms. The first effect is the cutting off of the intermolecular interactions by the walls, which appears for example in the integrals for calculation of the thermodynamic properties. The second wall effect involves the wall-molecule interactions. In such confined fluids, the introduction of wall forces and the competition between fluid-wall and fluid-fluid forces could lead to interesting thermodynamic properties, including new kinds of phase transitions not observed in the macroscopic fluid systems. In this article, we use the perturbative fundamental measure density functional theory to study energy effects on the structure and properties of a hard core two-Yukawa fluid confined in a nanoslit. Our results show the changes undergone by the structure and phase transition of the nanoconfined fluids as a result of energy effects.
International Nuclear Information System (INIS)
Hattori, Kazumasa
2010-01-01
We investigate a two-orbital Anderson lattice model with Ising orbital intersite exchange interactions on the basis of a dynamical mean field theory combined with the static mean field approximation of intersite orbital interactions. Focusing on Ce-based heavy-fermion compounds, we examine the orbital crossover between two orbital states, when the total f-electron number per site n f is ∼1. We show that a 'meta-orbital' transition, at which the occupancy of two orbitals changes steeply, occurs when the hybridization between the ground-state f-electron orbital and conduction electrons is smaller than that between the excited f-electron orbital and conduction electrons at low pressures. Near the meta-orbital critical end point, orbital fluctuations are enhanced and couple with charge fluctuations. A critical theory of meta-orbital fluctuations is also developed by applying the self-consistent renormalization theory of itinerant electron magnetism to orbital fluctuations. The critical end point, first-order transition, and crossover are described within Gaussian approximations of orbital fluctuations. We discuss the relevance of our results to CeAl 2 , CeCu 2 Si 2 , CeCu 2 Ge 2 , and related compounds, which all have low-lying crystalline-electric-field excited states. (author)
Directory of Open Access Journals (Sweden)
Wassim M. Haddad
2013-05-01
Full Text Available In this paper, we combine the two universalisms of thermodynamics and dynamical systems theory to develop a dynamical system formalism for classical thermodynamics. Specifically, using a compartmental dynamical system energy flow model involving heat flow, work energy, and chemical reactions, we develop a state-space dynamical system model that captures the key aspects of thermodynamics, including its fundamental laws. In addition, we show that our thermodynamically consistent dynamical system model is globally semistable with system states converging to a state of temperature equipartition. Furthermore, in the presence of chemical reactions, we use the law of mass-action and the notion of chemical potential to show that the dynamic system states converge to a state of temperature equipartition and zero affinity corresponding to a state of chemical equilibrium.
Lera, Sandro Claudio; Sornette, Didier
2018-01-01
A model that combines economic growth rate fluctuations at the microscopic and macroscopic levels is presented. At the microscopic level, firms are growing at different rates while also being exposed to idiosyncratic shocks at the firm and sector levels. We describe such fluctuations as independent Lévy-stable fluctuations, varying over multiple orders of magnitude. These fluctuations are aggregated and measured at the macroscopic level in averaged economic output quantities such as GDP. A fundamental question is thereby to what extent individual firm size fluctuations can have a noticeable impact on the overall economy. We argue that this question can be answered by considering the Lévy fluctuations as embedded in a steep confining potential well, ensuring nonlinear mean-reversal behavior, without having to rely on microscopic details of the system. The steepness of the potential well directly controls the extent to which idiosyncratic shocks to firms and sectors are damped at the level of the economy. Additionally, the theory naturally accounts for business cycles, represented in terms of a bimodal economic output distribution and thus connects two so far unrelated fields in economics. By analyzing 200 years of U.S. gross domestic product growth rates, we find that the model is in good agreement with the data.
Homogenization via the strong-permittivity-fluctuation theory with nonzero depolarization volume
Mackay, Tom G.
2004-08-01
The depolarization dyadic provides the scattering response of a single inclusion particle embedded within a homogenous background medium. These dyadics play a central role in formalisms used to estimate the effective constitutive parameters of homogenized composite mediums (HCMs). Conventionally, the inclusion particle is taken to be vanishingly small; this allows the pointwise singularity of the dyadic Green function associated with the background medium to be employed as the depolarization dyadic. A more accurate approach is pursued in this communication by taking into account the nonzero spatial extent of inclusion particles. Depolarization dyadics corresponding to inclusion particles of nonzero volume are incorporated within the strong-permittivity-fluctuation theory (SPFT). The linear dimensions of inclusion particles are assumed to be small relative to the electromagnetic wavelength(s) and the SPFT correlation length. The influence of the size of inclusion particles upon SPFT estimates of the HCM constitutive parameters is investigated for anisotropic dielectric HCMs.In particular, the interplay between correlation length and inclusion size is explored.
International Nuclear Information System (INIS)
Sewell, G.L.
1986-01-01
The author shows how the basic axioms of quantum field theory, general relativity and statistical thermodynamics lead, in a model-independent way, to a generalized Hawking-Unruh effect, whereby the gravitational fields carried by a class of space-time manifolds with event horizons thermalize ambient quantum fields. The author is concerned with a quantum field on a space-time x containing a submanifold X' bounded by event horizons. The objective is to show that, for a wide class of space-times, the global vacuum state of the field reduces, in X', to a thermal state, whose temperature depends on the geometry. The statistical thermodynaical, geometrical, and quantum field theoretical essential ingredients for the reduction of the vacuum state are discussed
Phase behaviour of the symmetric binary mixture from thermodynamic perturbation theory.
Dorsaz, N; Foffi, G
2010-03-17
We study the phase behaviour of symmetric binary mixtures of hard core Yukawa (HCY) particles via thermodynamic perturbation theory (TPT). We show that all the topologies of phase diagram reported for the symmetric binary mixtures are correctly reproduced within the TPT approach. In a second step we use the capability of TPT to be straightforwardly extended to mixtures that are nonsymmetric in size. Starting from mixtures that belong to the different topologies of symmetric binary mixtures we investigate the effect on the phase behaviour when an asymmetry in the diameters of the two components is introduced. Interestingly, when the energy of interaction between unlike particles is weaker than the interaction between like particles, the propensity for the solution to demix is found to increase strongly with size asymmetry.
Thermal fluctuations in pinned elastic systems: field theory of rare events and droplets
International Nuclear Information System (INIS)
Balents, Leon; Le Doussal, Pierre
2005-01-01
Using the functional renormalization group (FRG) we study the thermal fluctuations of elastic objects (displacement field u, internal dimension d) pinned by a random potential at low temperature T, as prototypes for glasses. A challenge is how the field theory can describe both typical (minimum energy T = 0) configurations, as well as thermal averages which, at any non-zero T as in the phenomenological droplet picture, are dominated by rare degeneracies between low lying minima. We show that this occurs through an essentially non-perturbative thermal boundary layer (TBL) in the (running) effective action Γ [u] at T > 0 for which we find a consistent scaling ansatz to all orders. The TBL describes how temperature smoothes the singularities of the T = 0 theory and contains the physics of rare thermal excitations (droplets). The formal structure of this TBL, which involves all cumulants of the coarse grained disorder, is first explored around d = 4 using a one-loop Wilson RG. Next, a more systematic exact RG (ERG) method is employed, and first tested on d = 0 models where it can be pushed quite far. There we obtain precise relations between TBL quantities and droplet probabilities (those are constrained by exact identities which are then checked against recent exact results). Our analysis is then extended to higher d, where we illustrate how the TBL scaling remains consistent to all orders in the ERG and how droplet picture results can be retrieved. Since correlations are determined deep in the TBL (by derivatives of Γ [u] at u = 0), it remains to be understood (in any d) how they can be retrieved (as u = 0 + limits in the non-analytic T = 0 effective action), i.e., how to recover a T = 0 critical theory. This formidable 'matching problem' is solved in detail for d = 0, N = 1 by studying the (partial) TBL structure of higher cumulants when points are brought together. We thereby obtain the β-function at T = 0, all ambiguities removed, displayed here up to four
International Nuclear Information System (INIS)
Rebhan, E.
2005-01-01
The present second volume treats quantum mechanics, relativistic quantum mechanics, the foundations of quantum-field and elementary-particle theory as well as thermodynamics and statistics. Both volumes comprehend all fields, which are usually offered in a course about theoretical physics. In all treated fields a very careful introduction to the basic natural laws forms the starting point, whereby it is thoroughly analysed, which of them is based on empirics, which is logically deducible, and which role play basic definitions. Extendingly the matter extend of the corresponding courses starting from the relativistic quantum theory an introduction to the elementary particles is developed. All problems are very thoroughly and such extensively studied, that each step is singularly reproducible. On motivation and good understandability is cared much about. The mixing of mathematical difficulties with problems of physical nature often obstructive in the learning is so circumvented, that important mathematical methods are presented in own chapters (for instance Hilbert spaces, Lie groups). By means of many examples and problems (for a large part with solutions) the matter worked out is deepened and exercised. Developments, which are indeed important, but seem for the first approach abandonable, are pursued in excurses. This book starts from courses, which the author has held at the Heinrich-Heine university in Duesseldorf, and was in many repetitions fitted to the requirements of the students. It is conceived in such a way, that it is also after the study suited as dictionary or for the regeneration
DEFF Research Database (Denmark)
Bork, Nicolai Christian; Bonanos, Nikolaos; Rossmeisl, Jan
2011-01-01
A density functional theory investigation of the thermodynamic and kinetic properties of hydrogen–hydrogen defect interactions in the cubic SrTiO3 perovskite is presented. We find a net attraction between two hydrogen atoms with an optimal separation of ∼2.3 Å. The energy gain is ca. 0.33 eV comp...
Apol, M.E F; Amadei, A; Berendsen, H.J.C.
1996-01-01
In an analogous way as was done previously in the canonical ensemble, we derived for dilute gases an approximated thermodynamic closure relation in the isothermal-isobaric ensemble using quasi-Gaussian entropy theory. For the Gamma state, we formulated equations for the temperature dependence of
Olander, Donald
2007-01-01
The book’s methodology is unified, concise, and multidisciplinary, allowing students to understand how the principles of thermodynamics apply to all technical fields that touch upon this most fundamental of scientific theories. It also offers a rigorous approach to the quantitative aspects of thermodynamics, accompanied by clear explanations to help students transition smoothly from the physical concepts to their mathematical representations
Thermodynamics of a solvable quark model inspired by the Gribov-Zwanziger theory
International Nuclear Information System (INIS)
Mintz, B.W.; Guimaraes, M.S.
2013-01-01
Full text: In an attempt to solve the problem of spurious gauge copies in the path integral approach to gauge theories, V. N. Gribov proposed in 1978 a method to restrict the integration domain of the path integral to only one gauge field representative of each physical field configuration. As a result, the quadratic part of the gluon propagator is modified in the infrared, so that it acquires complex poles, i.e., complex m asses . This implies the absence of gluons in the physical spectrum, which is a necessary condition for confinement. An analogous reasoning may be applied to quark fields coupled to the gauge fields. As a consequence, the quark propagator also gets modified in the infrared, giving rise to unphysical propagators (i.e., with complex poles) at small momenta. Such a property is understood as a sign of both quark confinement and of the breaking of chiral symmetry in the vacuum. In this work, we study the thermodynamics of this model by exactly calculating the partition function using standard methods of finite-temperature quantum field theory. We find that the infrared behavior of the quark propagator leads to a highly nontrivial pressure as a function of the temperature, which is qualitatively close to the results from lattice QCD at finite temperature. (author)
International Nuclear Information System (INIS)
Evans, R.; Kumaravadivel, R.
1976-01-01
A simple scheme for determining the ion density profile and the surface tension of a liquid metal is described. Assuming that the interaction between metallic pseudo-ions is of the form introduced by Evans, an approximate expression for the excess free energy of the system is derived using the thermodynamic perturbation theory of Weeks, Chandler and Anderson. This excess free energy is then minimized with respect to a parameter which specifies the ion density profile, and the surface tension is given directly. From a consideration of the dependence of the interionic forces on the electron density it is predicted that the ions should take up a very steep density profile at the liquid metal surface. This behaviour is contrasted with that to be expected for rare-gas fluids in which the interatomic forces are density-independent. The values of the surface tension calculated for liquid Na, K and Al from a simplified version of the theory are in reasonable agreement with experiment. (author)
Schrödinger, Erwin
1952-01-01
Nobel Laureate's brilliant attempt to develop a simple, unified standard method of dealing with all cases of statistical thermodynamics - classical, quantum, Bose-Einstein, Fermi-Dirac, and more.The work also includes discussions of Nernst theorem, Planck's oscillator, fluctuations, the n-particle problem, problem of radiation, much more.
Kawai, Shinnosuke; Komatsuzaki, Tamiki
2009-12-14
We present a novel theory which enables us to explore the mechanism of reaction selectivity and robust functions in complex systems persisting under thermal fluctuation. The theory constructs a nonlinear coordinate transformation so that the equation of motion for the new reaction coordinate is independent of the other nonreactive coordinates in the presence of thermal fluctuation. In this article we suppose that reacting systems subject to thermal noise are described by a multidimensional Langevin equation without a priori assumption for the form of potential. The reaction coordinate is composed not only of all the coordinates and velocities associated with the system (solute) but also of the random force exerted by the environment (solvent) with friction constants. The sign of the reaction coordinate at any instantaneous moment in the region of a saddle determines the fate of the reaction, i.e., whether the reaction will proceed through to the products or go back to the reactants. By assuming the statistical properties of the random force, one can know a priori a well-defined boundary of the reaction which separates the full position-velocity space in the saddle region into mainly reactive and mainly nonreactive regions even under thermal fluctuation. The analytical expression of the reaction coordinate provides the firm foundation on the mechanism of how and why reaction proceeds in thermal fluctuating environments.
International Nuclear Information System (INIS)
Yoon, P. H.; Schlickeiser, R.; Kolberg, U.
2014-01-01
Any fully ionized collisionless plasma with finite random particle velocities contains electric and magnetic field fluctuations. The fluctuations can be of three different types: weakly damped, weakly propagating, or aperiodic. The kinetics of these fluctuations in general unmagnetized plasmas, governed by the competition of spontaneous emission, absorption, and stimulated emission processes, is investigated, extending the well-known results for weakly damped fluctuations. The generalized Kirchhoff radiation law for both collective and noncollective fluctuations is derived, which in stationary plasmas provides the equilibrium energy densities of electromagnetic fluctuations by the ratio of the respective spontaneous emission coefficient and the true absorption coefficient. As an illustrative example, the equilibrium energy densities of aperiodic transverse collective electric and magnetic fluctuations in an isotropic thermal electron-proton plasmas of density n e are calculated as |δB|=√((δB) 2 )=2.8(n e m e c 2 ) 1/2 g 1/2 β e 7/4 and |δE|=√((δE) 2 )=3.2(n e m e c 2 ) 1/2 g 1/3 β e 2 , where g and β e denote the plasma parameter and the thermal electron velocity in units of the speed of light, respectively. For densities and temperatures of the reionized early intergalactic medium, |δB|=6·10 −18 G and |δE|=2·10 −16 G result
A. M. de Paor
1998-01-01
International audience; Hide (Nonlinear Processes in Geophysics, 1998) has produced a new mathematical model of a self-exciting homopolar dynamo driving a series- wound motor, as a continuing contribution to the theory of the geomagnetic field. By a process of exact perturbation analysis, followed by combination and partial solution of differential equations, the complete nonlinear quenching of current fluctuations reported by Hide in the case that a parameter ? has the value 1 is proved via ...
An introduction to thermodynamics and statistical mechanics
Saxena, A K
2016-01-01
An Introduction to Thermodynamics and Statistical Mechanics aims to serve as a text book for undergraduate hons.and postgraduate students of physics. The book covers First Law of Thermodynamics, Entropy and Second Law ofThermodynamics, Thermodynamic Relations, The Statistical Basis of Thermodynamics, Microcanonical Ensemble,Classical Statistical and Canonical Distribution, Grand Canonical Ensemble, Quantum Statistical Mechanics, PhaseTransitions, Fluctuations, Irreversible Processes and Transport Phenomena (Diffusion).SALIENT FEATURES:iC* Offers students a conceptual development of the subjectiC* Review questions at the end of chapters.NEW TO THE SECOND EDITIONiC* PVT SurfacesiC* Real Heat EnginesiC* Van der Waals Models (Qualitative Considerations)iC* Cluster ExpansioniC* Brownian Motion (Einstein's Theory)
Pineda, Evan Jorge; Waas, Anthony M.
2013-01-01
A thermodynamically-based work potential theory for modeling progressive damage and failure in fiber-reinforced laminates is presented. The current, multiple-internal state variable (ISV) formulation, referred to as enhanced Schapery theory (EST), utilizes separate ISVs for modeling the effects of damage and failure. Consistent characteristic lengths are introduced into the formulation to govern the evolution of the failure ISVs. Using the stationarity of the total work potential with respect to each ISV, a set of thermodynamically consistent evolution equations for the ISVs are derived. The theory is implemented into a commercial finite element code. The model is verified against experimental results from two laminated, T800/3900-2 panels containing a central notch and different fiber-orientation stacking sequences. Global load versus displacement, global load versus local strain gage data, and macroscopic failure paths obtained from the models are compared against the experimental results.
Directory of Open Access Journals (Sweden)
A. M. de Paor
1998-01-01
Full Text Available Hide (Nonlinear Processes in Geophysics, 1998 has produced a new mathematical model of a self-exciting homopolar dynamo driving a series- wound motor, as a continuing contribution to the theory of the geomagnetic field. By a process of exact perturbation analysis, followed by combination and partial solution of differential equations, the complete nonlinear quenching of current fluctuations reported by Hide in the case that a parameter ε has the value 1 is proved via the Popov theorem from feedback system stability theory.
Statistical thermodynamics and mean-field theory for the alloy under irradiation model
International Nuclear Information System (INIS)
Kamyshendo, V.
1993-01-01
A generalization of statistical thermodynamics to the open systems case, is discussed, using as an example the alloy-under-irradiation model. The statistical properties of stationary states are described with the use of generalized thermodynamic potentials and 'quasi-interactions' determined from the master equation for micro-configuration probabilities. Methods for resolving this equation are illustrated by the mean-field type calculations of correlators, thermodynamic potentials and phase diagrams for disordered alloys
Advanced classical thermodynamics
International Nuclear Information System (INIS)
Emanuel, G.
1987-01-01
The theoretical and mathematical foundations of thermodynamics are presented in an advanced text intended for graduate engineering students. Chapters are devoted to definitions and postulates, the fundamental equation, equilibrium, the application of Jacobian theory to thermodynamics, the Maxwell equations, stability, the theory of real gases, critical-point theory, and chemical thermodynamics. Diagrams, graphs, tables, and sample problems are provided. 38 references
Dewar, R
2003-01-01
Jaynes' information theory formalism of statistical mechanics is applied to the stationary states of open, non-equilibrium systems. First, it is shown that the probability distribution p subGAMMA of the underlying microscopic phase space trajectories GAMMA over a time interval of length tau satisfies p subGAMMA propor to exp(tau sigma subGAMMA/2k sub B) where sigma subGAMMA is the time-averaged rate of entropy production of GAMMA. Three consequences of this result are then derived: (1) the fluctuation theorem, which describes the exponentially declining probability of deviations from the second law of thermodynamics as tau -> infinity; (2) the selection principle of maximum entropy production for non-equilibrium stationary states, empirical support for which has been found in studies of phenomena as diverse as the Earth's climate and crystal growth morphology; and (3) the emergence of self-organized criticality for flux-driven systems in the slowly-driven limit. The explanation of these results on general inf...
A theory of power-law distributions in financial market fluctuations.
Gabaix, Xavier; Gopikrishnan, Parameswaran; Plerou, Vasiliki; Stanley, H Eugene
2003-05-15
Insights into the dynamics of a complex system are often gained by focusing on large fluctuations. For the financial system, huge databases now exist that facilitate the analysis of large fluctuations and the characterization of their statistical behaviour. Power laws appear to describe histograms of relevant financial fluctuations, such as fluctuations in stock price, trading volume and the number of trades. Surprisingly, the exponents that characterize these power laws are similar for different types and sizes of markets, for different market trends and even for different countries--suggesting that a generic theoretical basis may underlie these phenomena. Here we propose a model, based on a plausible set of assumptions, which provides an explanation for these empirical power laws. Our model is based on the hypothesis that large movements in stock market activity arise from the trades of large participants. Starting from an empirical characterization of the size distribution of those large market participants (mutual funds), we show that the power laws observed in financial data arise when the trading behaviour is performed in an optimal way. Our model additionally explains certain striking empirical regularities that describe the relationship between large fluctuations in prices, trading volume and the number of trades.
Suhasini, M.; Sailatha, E.; Gunasekaran, S.; Ramkumaar, G. R.
2015-11-01
The Fourier transform infrared (FT-IR) and FT-Raman spectra of Lornoxicam were recorded in the region 4000-450 cm-1 and 4000-50 cm-1 respectively. Density functional theory (DFT) has been used to calculate the optimized geometrical parameters, atomic charges, and vibrational wavenumbers and intensity of the vibrational bands. The computed vibrational wave numbers were compared with the FT-IR and FT-Raman experimental data. The computational calculations at DFT/B3LYP level with 6-31G(d,p) and 6-31++G(d,p) basis sets. The complete vibrational assignments were performed on the basis of the potential energy distribution (PED) of the Vibrational modes calculated using Vibrational Energy Distribution Analysis (VEDA 4) program. The oscillator's strength calculated by TD-DFT and Lornoxicam is approach complement with the experimental findings. The NMR chemical shifts 13C and 1H were recorded and calculated using the gauge independent atomic orbital (GIAO) method. The Natural charges and intermolecular contacts have been interpreted using Natural Bond orbital (NBO) analysis and the HOMO-LUMO energy gap has been calculated. The thermodynamic properties like Entropy, Enthalpy, Specific heat capacity and zero vibrational energy have been calculated. Besides, molecular electrostatic potential (MEP) was investigated using theoretical calculations.
Sphalerons, small fluctuations, and baryon-number violation in electroweak theory
International Nuclear Information System (INIS)
Arnold, P.; McLerran, L.
1987-01-01
We study the formalism of the sphaleron approximation to baryon-number violation in the standard model at temperatures near 1 TeV. We investigate small fluctuations of the sphaleron, the competition of large-scale sphalerons with thermal fluctuations, and the damping of the transition rate in the plasma. We find a suppression of the rate due to Landau damping and due to factors arising from zero modes. Our approximations are valid in the regime 2M/sub W/(T) 2 . We find that the rate of baryon-number violation is still significantly larger than the expansion rate of the Universe
A thermodynamically-consistent theory of the ferro/paramagnetic transition
Czech Academy of Sciences Publication Activity Database
Podio-Guidugli, P.; Roubíček, Tomáš; Tomassetti, G.
2010-01-01
Roč. 198, č. 3 (2010), s. 1057-1094 ISSN 0003-9527 Institutional research plan: CEZ:AV0Z20760514 Keywords : phase transitions * thermodynamics of continua * landau-lifshitz/gilbert equation Subject RIV: BJ - Thermodynamics Impact factor: 2.277, year: 2010 http://www.springerlink.com/content/u705l057177m6526/
An extension of Hewitt's inversion formula and its application to fluctuation theory
Badila, E.S.
2015-01-01
We analyze fluctuations of random walks with generally distributed increments. Integral representations for key performance measures are obtained by extending an inversion theorem of Hewitt [11] for Laplace-Stieltjes transforms. Another important part of the anal- ysis involves the so-called
SU(2 Yang–Mills Theory: Waves, Particles, and Quantum Thermodynamics
Directory of Open Access Journals (Sweden)
Ralf Hofmann
2016-08-01
Full Text Available We elucidate how Quantum Thermodynamics at temperature T emerges from pure and classical S U ( 2 Yang–Mills theory on a four-dimensional Euclidean spacetime slice S 1 × R 3 . The concept of a (deconfining thermal ground state, composed of certain solutions to the fundamental, classical Yang–Mills equation, allows for a unified addressation of both (classical wave- and (quantum particle-like excitations thereof. More definitely, the thermal ground state represents the interplay between nonpropagating, periodic configurations which are electric-magnetically (antiselfdual in a non-trivial way and possess topological charge modulus unity. Their trivial-holonomy versions—Harrington–Shepard (HS (anticalorons—yield an accurate a priori estimate of the thermal ground state in terms of spatially coarse-grained centers, each containing one quantum of action ℏ localized at its inmost spacetime point, which induce an inert adjoint scalar field ϕ ( | ϕ | spatio-temporally constant. The field ϕ , in turn, implies an effective pure-gauge configuration, a μ gs , accurately describing HS (anticaloron overlap. Spatial homogeneity of the thermal ground-state estimate ϕ , a μ gs demands that (anticaloron centers are densely packed, thus representing a collective departure from (antiselfduality. Effectively, such a “nervous” microscopic situation gives rise to two static phenomena: finite ground-state energy density ρ gs and pressure P gs with ρ gs = − P gs as well as the (adjoint Higgs mechanism. The peripheries of HS (anticalorons are static and resemble (antiselfdual dipole fields whose apparent dipole moments are determined by | ϕ | and T, protecting them against deformation potentially caused by overlap. Such a protection extends to the spatial density of HS (anticaloron centers. Thus the vacuum electric permittivity ϵ 0 and magnetic permeability μ 0 , supporting the propagation of wave-like disturbances in the U ( 1 Cartan
The theory of electromagnetic wave scattering by density fluctuations in nonequilibrium plasma
International Nuclear Information System (INIS)
Pavlenko, V.N.; Panchenko, V.G.
1993-01-01
Scattering of electromagnetic waves by density fluctuations in a magnetized plasma in the presence of the external pump field is investigated. The spectral density of electron density fluctuations is calculated. The pump wave is supposed to decay into a lower hybrid wave and low frequency oscillations (ion-acoustic wave, modified convective cell and ion-cyclotron wave with ion-temperature anisotropy). When the pump wave amplitude tends to the threshold strength of the electric field, the scattering cross section increases anomalously, i.e. there is the critical opalescence. The differential scattering cross section dependence on the pump amplitude and ion temperature anisotropy is obtained in the region above the parametric instability threshold. For characteristic parameters of fusion and space plasmas it is shown that the pump field terms considerably surmount the thermal noise contribution to the scattering cross section
Energy Technology Data Exchange (ETDEWEB)
Melnikov, N.B., E-mail: melnikov@cs.msu.su [Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Reser, B.I., E-mail: reser@imp.uran.ru [Miheev Institute of Metal Physics, Ural Branch of Russian Academy of Sciences, Ekaterinburg 620990 (Russian Federation); Paradezhenko, G.V., E-mail: gparadezhenko@cs.msu.su [Lomonosov Moscow State University, Moscow 119991 (Russian Federation)
2016-08-01
To study the spin-density correlations in the ferromagnetic metals above the Curie temperature, we relate the spin correlator and neutron scattering cross-section. In the dynamic spin-fluctuation theory, we obtain explicit expressions for the effective and local magnetic moments and spatial spin-density correlator. Our theoretical results are demonstrated by the example of bcc Fe. The effective and local moments are found in good agreement with results of polarized neutron scattering experiment over a wide temperature range. The calculated short-range order is small (up to 4 Å) and slowly decreases with temperature.
DEFF Research Database (Denmark)
Jørgensen, E.; Koshelets, V. P.; Monaco, Roberto
1982-01-01
The radiation emission from long and narrow Josephson tunnel junctions dc-current biased on zero-field steps has been ascribed to resonant motion of fluxons on the transmission line. Within this dynamic model a theoretical expression for the radiation linewidth is derived from a full statistical ...... treatment of thermal fluctuations in the fluxon velocity. The result appears to be very general and is corroborated by experimental determination of linewidth and frequency of radiation emitted from overlap Nb-I-Pb junctions....
Frank, T. D.; Patanarapeelert, K.; Beek, P. J.
2008-05-01
We derive a fundamental relationship between the mean and the variability of isometric force. The relationship arises from an optimal collection of active motor units such that the force variability assumes a minimum (optimal isometric force). The relationship is shown to be independent of the explicit motor unit properties and of the dynamical features of isometric force production. A constant coefficient of variation in the asymptotic regime and a nonequilibrium fluctuation-dissipation theorem for optimal isometric force are predicted.
International Nuclear Information System (INIS)
Frank, T.D.; Patanarapeelert, K.; Beek, P.J.
2008-01-01
We derive a fundamental relationship between the mean and the variability of isometric force. The relationship arises from an optimal collection of active motor units such that the force variability assumes a minimum (optimal isometric force). The relationship is shown to be independent of the explicit motor unit properties and of the dynamical features of isometric force production. A constant coefficient of variation in the asymptotic regime and a nonequilibrium fluctuation-dissipation theorem for optimal isometric force are predicted
Thermodynamics of SU(2) quantum Yang-Mills theory and CMB anomalies
Hofmann, Ralf
2014-04-01
A brief review of effective SU(2) Yang-Mills thermodynamics in the deconfining phase is given, including the construction of the thermal ground-state estimate in terms of an inert, adjoint scalar field φ, based on non-propagating (anti)selfdual field configurations of topological charge unity. We also discuss kinematic constraints on interacting propagating gauge fields implied by the according spatial coarse-graining, and we explain why the screening physics of an SU(2) photon is subject to an electric-magnetically dual interpretation. This argument relies on the fact that only (anti)calorons of scale parameter ρ ˜ |φ|-1 contribute to the coarse-graining required for thermal-ground-state emergence at temperature T. Thus, use of the effective gauge coupling e in the (anti)caloron action is justified, yielding the value ħ for the latter at almost all temperatures. As a consequence, the indeterministic transition of initial to final plane waves caused by an effective, pointlike vertex is fundamentally mediated in Euclidean time by a single (anti)caloron being part of the thermal ground state. Next, we elucidate how a low-frequency excess of line temperature in the Cosmic Microwave Background (CMB) determines the value of the critical temperature of the deconfining-preconfining phase transition of an SU(2) Yang-Mills theory postulated to describe photon propagation, and we describe how, starting at a redshift of about unity, SU(2) photons collectively work 3D temperature depressions into the CMB. Upon projection along a line of sight, a given depression influences the present CMB sky in a cosmologically local way, possibly explaining the large-angle anomalies confirmed recently by the Planck collaboration. Finally, six relativistic polarisations residing in the SU(2) vector modes roughly match the number of degrees of freedom in cosmic neutrinos (Planck) which would disqualify the latter as radiation. Indeed, if interpreted as single center-vortex loops in
Thermodynamics of SU(2 quantum Yang-Mills theory and CMB anomalies
Directory of Open Access Journals (Sweden)
Hofmann Ralf
2014-04-01
Full Text Available A brief review of effective SU(2 Yang-Mills thermodynamics in the deconfining phase is given, including the construction of the thermal ground-state estimate in terms of an inert, adjoint scalar field φ, based on non-propagating (antiselfdual field configurations of topological charge unity. We also discuss kinematic constraints on interacting propagating gauge fields implied by the according spatial coarse-graining, and we explain why the screening physics of an SU(2 photon is subject to an electric-magnetically dual interpretation. This argument relies on the fact that only (anticalorons of scale parameter ρ ∼ |φ|−1 contribute to the coarse-graining required for thermal-ground-state emergence at temperature T. Thus, use of the effective gauge coupling e in the (anticaloron action is justified, yielding the value ħ for the latter at almost all temperatures. As a consequence, the indeterministic transition of initial to final plane waves caused by an effective, pointlike vertex is fundamentally mediated in Euclidean time by a single (anticaloron being part of the thermal ground state. Next, we elucidate how a low-frequency excess of line temperature in the Cosmic Microwave Background (CMB determines the value of the critical temperature of the deconfining-preconfining phase transition of an SU(2 Yang-Mills theory postulated to describe photon propagation, and we describe how, starting at a redshift of about unity, SU(2 photons collectively work 3D temperature depressions into the CMB. Upon projection along a line of sight, a given depression influences the present CMB sky in a cosmologically local way, possibly explaining the large-angle anomalies confirmed recently by the Planck collaboration. Finally, six relativistic polarisations residing in the SU(2 vector modes roughly match the number of degrees of freedom in cosmic neutrinos (Planck which would disqualify the latter as radiation. Indeed, if interpreted as single center
Watanabe, Shinji; Miyake, Kazumasa
2018-03-01
The thermal expansion coefficient α and the Grüneisen parameter Γ near the magnetic quantum critical point (QCP) are derived on the basis of the self-consistent renormalization (SCR) theory of spin fluctuations. From the SCR entropy, the specific heat CV, α, and Γ are shown to be expressed in a simple form as CV = Ca - Cb, α = αa + αb, and Γ = Γa + Γb, respectively, where Ci, αi, and Γi (i = a, b) are related with each other. As the temperature T decreases, Ca, αb, and Γb become dominant in CV, α, and Γ, respectively. The inverse susceptibility of spin fluctuation coupled to the volume V in Γb is found to give rise to the divergence of Γ at the QCP for each class of ferromagnetism and antiferromagnetism (AFM) in spatial dimensions d = 3 and 2. This V-dependent inverse susceptibility in αb and Γb contributes to the T dependences of α and Γ, and even affects their criticality in the case of the AFM QCP in d = 2. Γa is expressed as Γ a(T = 0) = - V/T0( {partial T0}/{partial V} )T = 0 with T0 being the characteristic temperature of spin fluctuation, which has an enhanced value in heavy electron systems.
Gidoin, Cindy; Roques, Lionel; Boivin, Thomas
2015-03-01
Theories of species coexistence and invasion ecology are fundamentally connected and provide a common theoretical framework for studying the mechanisms underlying successful invasions and their ecological impacts. Temporal fluctuations in resource availability and differences in life-history traits between invasive and resident species are considered as likely drivers of the dynamics of invaded communities. Current critical issues in invasion ecology thus relate to the extent to which such mechanisms influence coexistence between invasive and resident species and to the ability of resident species to persist in an invasive-dominated ecosystem. We tested how a fluctuating resource, and species trait differences may explain and help predict long-term impacts of biological invasions in forest specialist insect communities. We used a simple invasion system comprising closely related invasive and resident seed-specialized wasps (Hymenoptera: Torymidae) competing for a well-known fluctuating resource and displaying divergent diapause, reproductive and phenological traits. Based on extensive long-term field observations (1977-2010), we developed a combination of mechanistic and statistical models aiming to (i) obtain a realistic description of the population dynamics of these interacting species over time, and (ii) clarify the respective contributions of fluctuation-dependent and fluctuation-independent mechanisms to long-term impact of invasion on the population dynamics of the resident wasp species. We showed that a fluctuation-dependent mechanism was unable to promote coexistence of the resident and invasive species. Earlier phenology of the invasive species was the main driver of invasion success, enabling the invader to exploit an empty niche. Phenology also had the greatest power to explain the long-term negative impact of the invasive on the resident species, through resource pre-emption. This study provides strong support for the critical role of species
Thibodeau, Lise; Lachaud, James
2016-01-01
Three theories have been proposed to explain the relationship between suicide and economic fluctuations, including the Durkheim (nonlinear), Ginsberg (procyclical), and Henry and Short (countercyclical) theories. This study tested the effect of economic fluctuations, measured by unemployment rate, on suicide rates in Canada from 1926 to 2008. Autoregressive integrated moving average time-series models were used. The results showed a significant relationship between suicide and economic fluctuation; this association was positive during the contraction period (1926-1950) and negative in the period of economic expansion (1951-1973). Males and females showed differential effects in the period of moderate unemployment (1974-2008). In addition, the suicide rate of mid-adults (45-64) was most impacted by economic fluctuations. Our study tends to support Durkheim's theory and suggests the need for public health responses in times of economic contraction and expansion.
Simulated pressure denaturation thermodynamics of ubiquitin.
Ploetz, Elizabeth A; Smith, Paul E
2017-12-01
Simulations of protein thermodynamics are generally difficult to perform and provide limited information. It is desirable to increase the degree of detail provided by simulation and thereby the potential insight into the thermodynamic properties of proteins. In this study, we outline how to analyze simulation trajectories to decompose conformation-specific, parameter free, thermodynamically defined protein volumes into residue-based contributions. The total volumes are obtained using established methods from Fluctuation Solution Theory, while the volume decomposition is new and is performed using a simple proximity method. Native and fully extended ubiquitin are used as the test conformations. Changes in the protein volumes are then followed as a function of pressure, allowing for conformation-specific protein compressibility values to also be obtained. Residue volume and compressibility values indicate significant contributions to protein denaturation thermodynamics from nonpolar and coil residues, together with a general negative compressibility exhibited by acidic residues. Copyright © 2017 Elsevier B.V. All rights reserved.
Theory of fluctuations and parametric noise in a point nuclear reactor model
International Nuclear Information System (INIS)
Rodriguez, M.A.; San Miguel, M.; Sancho, J.M.
1984-01-01
We present a joint description of internal fluctuations and parametric noise in a point nuclear reactor model in which delayed neutrons and a detector are considered. We obtain kinetic equations for the first moments and define effective kinetic parameters which take into account the effect of parametric Gaussian white noise. We comment on the validity of Langevin approximations for this problem. We propose a general method to deal with weak but otherwise arbitrary non-white parametric noise. Exact kinetic equations are derived for Gaussian non-white noise. (author)
Qi, Xin; Fichthorn, Kristen A
2017-10-19
Though many experimental studies have documented that certain solution-phase additives can play a key role in the shape-selective synthesis of metal nanocrystals, the origins and mechanisms of this shape selectivity are still unclear. One possible role of such molecules is to thermodynamically induce the equilibrium shape of a nanocrystal by altering the interfacial free energies of the facets. Using a multi-scheme thermodynamic integration method that we recently developed [J. Chem. Phys., 2016, 145, 194108], we calculate the solid-liquid interfacial free energies γ sl and investigate the propensity to achieve equilibrium shapes in such syntheses. We first apply this method to Ag(100) and Ag(111) facets in ethylene glycol solution containing polyvinylpyrrolidone (PVP), to mimic the environment in polyol synthesis of Ag nanocrystals. We find that although PVP has a preferred binding to Ag(100), its selectivity is not sufficient to induce a thermodynamic preference for {100}-faceted nanocubes, as has been observed experimentally. This indicates that PVP promotes Ag nanocube formation kinetically rather than thermodynamically. We further quantify the thermodynamic influence of adsorbed solution-phase additives for generic molecules, by building a γ sl ratio/nanocrystal shape map as a function of zero-temperature binding energies. This map can be used to gauge the efficacy of candidate additive molecules for producing targeted thermodynamic nanocrystal shapes. The results indicate that only additives with a strong facet selectivity can impart significant thermodynamic-shape change. Therefore, many of the nanocrystals observed in experiments are likely kinetic products.
de Oliveira, Mário J
2017-01-01
This textbook provides an exposition of equilibrium thermodynamics and its applications to several areas of physics with particular attention to phase transitions and critical phenomena. The applications include several areas of condensed matter physics and include also a chapter on thermochemistry. Phase transitions and critical phenomena are treated according to the modern development of the field, based on the ideas of universality and on the Widom scaling theory. For each topic, a mean-field or Landau theory is presented to describe qualitatively the phase transitions. These theories include the van der Waals theory of the liquid-vapor transition, the Hildebrand-Heitler theory of regular mixtures, the Griffiths-Landau theory for multicritical points in multicomponent systems, the Bragg-Williams theory of order-disorder in alloys, the Weiss theory of ferromagnetism, the Néel theory of antiferromagnetism, the Devonshire theory for ferroelectrics and Landau-de Gennes theory of liquid crystals. This new edit...
Cascade diffusion theory of sink capture fluctuations during irradiation of a solid
International Nuclear Information System (INIS)
Mansur, L.K.; Brailsford, A.D.; Coghlan, W.A.
1985-01-01
Fluctuations in the number of defects captured by sinks in an irradiated solid, that arise because of the stochastic nature of collision cascade events, are analyzed. Two types of sinks are considered, cavities (or voids) and dislocations. The importance of the physical size of the sink is emphasized, as also is the magnitude of the fluctuations in defect capture relative to the behavior of its statistical mean. In particular, it is shown that the ratio of the variance to the mean, for either a cavity or a dislocation segment, decreases rapidly as overall steady state is approached. Further analytical and computational aspects of a shell model that we introduced earlier are analyzed. The relationship of this model to a truly random system is established, and additional calculations are presented to exemplify some of the features predicted by the mathematical analysis. Importance functions describing the spatial origins of the point defects contributing to the average concentration and flux are described. The probabilities of special types of cascade coincidences are developed. The application of the present formalism to the problems of void nucleation, and dislocation climb over localized obstacles, in irradiated solids is indicated
International Nuclear Information System (INIS)
Yunfeng, Yang; Yongqiang, Xue; Zixiang, Cui; Miaozhi, Zhao
2014-01-01
The particle size of electrode materials has a significant influence on the standard electrode potential and the thermodynamic properties of electrode reactions. In this paper, the size-dependent electrochemical thermodynamics has been theoretically investigated and successfully deduced electrochemical thermodynamics equations for nanoparticles electrode. At the same time, the electrode potential and thermodynamical properties of Ag 2 O/Ag nanoparticles electrode constructed by the solid and spherical Ag 2 O nanoparticles with different sizes further testified that the particle size of nanoparticles has a significant effect on electrochemical thermodynamics. The results show that the electrode potential depends on that of the smallest nanoparticle in a nanoparticles electrode which consisted of different particle sizes of nano-Ag 2 O. When the size of Ag 2 O nanoparticles reduces, the standard electrode potentials and the equilibrium constants of the corresponding electrode reactions increase, and the temperature coefficient, the mole Gibbs energy change, the mole enthalpy change and the mole entropy change decrease. Moreover, these physical quantities are all linearly related with the reciprocal of average particle size (r > 10 nm). The experimental regularities coincide with the theoretical equations
Some aeroacoustic and aerodynamic applications of the theory of nonequilibrium thermodynamics
Horne, W. Clifton; Smith, Charles A.; Karamcheti, Krishnamurty
1990-01-01
An exact equation is derived for the dissipation function of a homogeneous, isotropic, Newtonian fluid, with terms associated with irreversible compression or expansion, wave radiation, and the square of the vorticity. This and other forms of the dissipation function are used to identify simple flows, such as incompressible channel flow, the potential vortex with rotational core, and incompressible, irrotational flow as minimally dissipative distributions. A comparison of the hydrodynamic and thermodynamic stability characteristics of a parallel shear flow suggests that an association exists between flow stability and the variation of net dissipation with disturbance amplitude, and that nonlinear effects, such as bounded disturbance amplitude, may be examined from a thermodynamic basis.
Theory of spin-fluctuation induced superconductivity in iron-based superconductors
International Nuclear Information System (INIS)
Zhang, Junhua
2011-01-01
In this dissertation we focus on the investigation of the pairing mechanism in the recently discovered high-temperature superconductor, iron pnictides. Due to the proximity to magnetic instability of the system, we considered short-range spin fluctuations as the major mediating source to induce superconductivity. Our calculation supports the magnetic fluctuations as a strong candidate that drives Cooper-pair formation in this material. We find the corresponding order parameter to be of the so-called ss-wave type and show its evolution with temperature as well as the capability of supporting high transition temperature up to several tens of Kelvin. On the other hand, our itinerant model calculation shows pronounced spin correlation at the observed antiferromagnetic ordering wave vector, indicating the underlying electronic structure in favor of antiferromagnetic state. Therefore, the electronic degrees of freedom could participate both in the magnetic and in the superconducting properties. Our work shows that the interplay between magnetism and superconductivity plays an important role to the understanding of the rich physics in this material. The magnetic-excitation spectrum carries important information on the nature of magnetism and the characteristics of superconductivity. We analyze the spin excitation spectrum in the normal and superconducting states of iron pnictides in the magnetic scenario. As a consequence of the sign-reversed gap structure obtained in the above, a spin resonance mode appears below the superconducting transition temperature. The calculated resonance energy, scaled with the gap magnitude and the magnetic correlation length, agrees well with the inelastic neutron scattering (INS) measurements. More interestingly, we find a common feature of those short-range spin fluctuations that are capable of inducing a fully gapped ss state is the momentum anisotropy with elongated span along the direction transverse to the antiferromagnetic momentum
Fluctuations of the baryonic flux-tube junction from effective string theory
International Nuclear Information System (INIS)
Pfeuffer, Melanie; Bali, Gunnar S.; Panero, Marco
2009-01-01
In quenched QCD, where the dynamic creation of quark-antiquark pairs out of the vacuum is neglected, a confined baryonic system composed of three static quarks exhibits stringlike behavior at large interquark separation, with the formation of flux tubes characterized by the geometry of the so-called Y ansatz. We study the fluctuations of the junction of the three flux tubes, assuming the dynamics to be governed by an effective bosonic string model. We show that the asymptotic behavior of the effective width of the junction grows logarithmically with the distance between the sources, with the coefficient depending on the number of joining strings, on the dimension of spacetime and on the string tension.
International Nuclear Information System (INIS)
Sai Venkata Ramana, A.
2014-01-01
The coupling parameter series expansion and the high temperature series expansion in the thermodynamic perturbation theory of fluids are shown to be equivalent if the interaction potential is pairwise additive. As a consequence, for the class of fluids with the potential having a hardcore repulsion, if the hard-sphere fluid is chosen as reference system, the terms of coupling parameter series expansion for radial distribution function, direct correlation function, and Helmholtz free energy follow a scaling law with temperature. The scaling law is confirmed by application to square-well fluids
DEFF Research Database (Denmark)
Shapiro, Alexander
2004-01-01
The theory of transport properties in multicomponent gas and liquid mixtures, which was previously developed for diffusion coefficients, is extended onto thermodiffusion coefficients and heat conductivities. The derivation of the expressions for transport properties is based on the general statis...... of the heat conductivity coefficient for ideal gas. (C) 2003 Elsevier B.V. All rights reserved.......The theory of transport properties in multicomponent gas and liquid mixtures, which was previously developed for diffusion coefficients, is extended onto thermodiffusion coefficients and heat conductivities. The derivation of the expressions for transport properties is based on the general...
Wei, Bo-Bo; Jiang, Zhan-Feng; Liu, Ren-Bao
2015-01-01
The holographic principle states that the information about a volume of a system is encoded on the boundary surface of the volume. Holography appears in many branches of physics, such as optics, electromagnetism, many-body physics, quantum gravity, and string theory. Here we show that holography is also an underlying principle in thermodynamics, a most important foundation of physics. The thermodynamics of a system is fully determined by its partition function. We prove that the partition function of a finite but arbitrarily large system is an analytic function on the complex plane of physical parameters, and therefore the partition function in a region on the complex plane is uniquely determined by its values along the boundary. The thermodynamic holography has applications in studying thermodynamics of nano-scale systems (such as molecule engines, nano-generators and macromolecules) and provides a new approach to many-body physics. PMID:26478214
Directory of Open Access Journals (Sweden)
Malykin G. B.
2009-01-01
Full Text Available Israel L. Bershtein (1908-2000 was one of the famous radio physicists in the world. He had constructed the theory of amplitude and frequency fluctuations for the electromagnetic wave generators working in the radio and optical scales. He also had developed numerous methods for precise measurement of the fluctuations, which also can be applied to ultimate small mechanical displacements. Besides these he was the first person among the scientists, who had registered the Sagnac effect at radiowaves.
International Nuclear Information System (INIS)
Stout, R B
2001-01-01
A theoretical expression is developed for the dissolution rate response for multi-component radioactive materials that have surface adsorption kinetics and radiolysis kinetics when wetted by a multi-component aqueous solution. An application for this type of dissolution response is the performance evaluation of multi-component spent nuclear fuels (SNFs) for long term interim storage and for geological disposition. Typically, SNF compositions depend on initial composition, uranium oxide and metal alloys being most common, and on reactor burnup which results in a wide range of fission product and actinide concentrations that decay by alpha, beta, and gamma radiation. These compositional/burnup ranges of SNFs, whether placed in interim storage or emplaced in a geologic repository, will potentially be wetted by multi-component aqueous solutions, and these solutions may be further altered by radiolytic aqueous species due to three radiation fields. The solid states of the SNFs are not thermodynamically stable when wetted and will dissolve, with or without radiolysis. The following development of a dissolution theory is based on a non-equilibrium thermodynamic analysis of energy reactions and energy transport across a solid-liquid phase change discontinuity that propagates at a quasi-steady, dissolution velocity. The integral form of the energy balance equation is used for this spatial surface discontinuity analysis. The integral formulation contains internal energy functional of classical thermodynamics for both the SNFs' solid state and surface adsorption species, and the adjacent liquid state, which includes radiolytic chemical species. The steady-state concentrations of radiolytic chemical species are expressed by an approximate analysis of the decay radiation transport equation. For purposes of illustration a modified Temkin adsorption isotherm was assumed for the surface adsorption kinetics on an arbitrary, finite area of the solid-liquid dissolution interface. For
Cosmological Inflation with Multiple Fields and the Theory of Density Fluctuations
Tent, B.J.W. van
2002-01-01
Inflation is a stage of extremely rapid expansion in the very early universe. It was proposed to solve a number of problems in the standard Big Bang theory. In particular it others an explanation for the origin of structures like (clusters of) galaxies on the one hand (by generating small density
International Nuclear Information System (INIS)
Maggiore, Michele; Riotto, Antonio
2010-01-01
A classic method for computing the mass function of dark matter halos is provided by excursion set theory, where density perturbations evolve stochastically with the smoothing scale, and the problem of computing the probability of halo formation is mapped into the so-called first-passage time problem in the presence of a barrier. While the full dynamical complexity of halo formation can only be revealed through N-body simulations, excursion set theory provides a simple analytic framework for understanding various aspects of this complex process. In this series of papers we propose improvements of both technical and conceptual aspects of excursion set theory, and we explore up to which point the method can reproduce quantitatively the data from N-body simulations. In Paper I of the series, we show how to derive excursion set theory from a path integral formulation. This allows us both to derive rigorously the absorbing barrier boundary condition, that in the usual formulation is just postulated, and to deal analytically with the non-Markovian nature of the random walk. Such a non-Markovian dynamics inevitably enters when either the density is smoothed with filters such as the top-hat filter in coordinate space (which is the only filter associated with a well-defined halo mass) or when one considers non-Gaussian fluctuations. In these cases, beside 'Markovian' terms, we find 'memory' terms that reflect the non-Markovianity of the evolution with the smoothing scale. We develop a general formalism for evaluating perturbatively these non-Markovian corrections, and in this paper we perform explicitly the computation of the halo mass function for Gaussian fluctuations, to first order in the non-Markovian corrections due to the use of a top-hat filter in coordinate space. In Paper II of this series we propose to extend excursion set theory by treating the critical threshold for collapse as a stochastic variable, which better captures some of the dynamical complexity of the
Directory of Open Access Journals (Sweden)
Takashi Arima
2018-04-01
Full Text Available After summarizing the present status of Rational Extended Thermodynamics (RET of gases, which is an endeavor to generalize the Navier–Stokes and Fourier (NSF theory of viscous heat-conducting fluids, we develop the molecular RET theory of rarefied polyatomic gases with 15 independent fields. The theory is justified, at mesoscopic level, by a generalized Boltzmann equation in which the distribution function depends on two internal variables that take into account the energy exchange among the different molecular modes of a gas, that is, translational, rotational, and vibrational modes. By adopting the generalized Bhatnagar, Gross and Krook (BGK-type collision term, we derive explicitly the closed system of field equations with the use of the Maximum Entropy Principle (MEP. The NSF theory is derived from the RET theory as a limiting case of small relaxation times via the Maxwellian iteration. The relaxation times introduced in the theory are shown to be related to the shear and bulk viscosities and heat conductivity.
Topological fluctuations in SU(2) gauge theory with staggered fermions: An exploratory study
International Nuclear Information System (INIS)
Kogut, J.B.; Sinclair, D.K.; Teper, M.; Oxford Univ.
1991-01-01
We investigate some basic aspects of topological fluctuations in lattice QCD, in the version with two colours and four light flavours; and we do so in both the confining, chiral symmetry broken phase in the non-confining, chirally symmetric phase. This latter phase is found to occur not only at high temperatures, just as in the pure gauge system, but also in small spatial volumes, which is unlike the pure gauge case. We derive the way the topological susceptibility should vary with quark mass at small quark masses. We find that the calculated topological susceptibility decreases to zero with the quark mass, with the theoretically expected powers except - in the symmetric phase - at the very smallest values of the quark mass. We demonstrate that this anomalous behaviour can be understood as arising from the fact that the lattice topological 'zero modes' are in fact sufficiently far from being zero. We also show, in the chirally symmetric phase, that, just as expected, the average distance between instantons and anti-instantons decreases with decreasing quark mass. We finish with a new and more precise estimate of the location of the finite-temperature transition in SU(2) with four light flavours. (orig.)
Effective field theory of an anomalous Hall metal from interband quantum fluctuations
Chua, Victor; Assawasunthonnet, Wathid; Fradkin, Eduardo
2017-07-01
We construct an effective field theory, a two-dimensional two-component metallic system described by a model with two Fermi surfaces ("pockets"). This model describes a translationally invariant metallic system with two types of fermions, each with its own Fermi surface, with forward scattering interactions. This model, in addition to the O (2 ) rotational invariance, has a U (1 )×U (1 ) symmetry of separate charge conservation for each Fermi surface. For sufficiently attractive interactions in the d -wave (quadrupolar) channel, this model has an interesting phase diagram that includes a spontaneously generated anomalous Hall metal phase. We derive the Landau-Ginzburg effective action of quadrupolar order parameter fields which enjoys an O (2 )×U (1 ) global symmetry associated to spatial isotropy and the internal U (1 ) relative phase symmetries, respectively. We show that the order parameter theory is dynamically local with a dynamical scaling of z =2 and perform a one-loop renormalization group analysis of the Landau-Ginzburg theory. The electronic liquid crystal phases that result from spontaneous symmetry breaking are studied and we show the presence of Landau damped Nambu-Goldstone modes at low momenta that is a signature of non-Fermi-liquid behavior. Electromagnetic linear response is also analyzed in both the normal and symmetry broken phases from the point of view of the order parameter theory. The nature of the coupling of electromagnetism to the order parameter fields in the normal phase is non-minimal and decidedly contains a precursor to the anomalous Hall response in the form of a order-parameter-dependent Chern-Simons term in the effective action.
On determining absolute entropy without quantum theory or the third law of thermodynamics
Steane, Andrew M.
2016-04-01
We employ classical thermodynamics to gain information about absolute entropy, without recourse to statistical methods, quantum mechanics or the third law of thermodynamics. The Gibbs-Duhem equation yields various simple methods to determine the absolute entropy of a fluid. We also study the entropy of an ideal gas and the ionization of a plasma in thermal equilibrium. A single measurement of the degree of ionization can be used to determine an unknown constant in the entropy equation, and thus determine the absolute entropy of a gas. It follows from all these examples that the value of entropy at absolute zero temperature does not need to be assigned by postulate, but can be deduced empirically.
Fluctuation effects in bulk polymer phase behavior
International Nuclear Information System (INIS)
Bates, F.S.; Rosedale, J.H.; Stepanek, P.; Lodge, T.P.; Wiltzius, P.; Hjelm R, Jr.; Fredrickson, G.H.
1990-01-01
Bulk polymer-polymer, and block copolymer, phase behaviors have traditionally been interpreted using mean-field theories. Recent small-angle neutron scattering (SANS) studies of critical phenomena in model binary polymer mixtures confirm that non-mean-field behavior is restricted to a narrow range of temperatures near the critical point, in close agreement with the Ginzburg criterion. In contrast, strong derivations from mean-field behavior are evident in SANS and rheological measurements on model block copolymers more than 50C above the order-disorder transition (ODT), which can be attributed to sizeable composition fluctuations. Such fluctuation effects undermine the mean-field assumption, conventionally applied to bulk polymers, and result in qualitative changes in phase behavior, such as the elimination of a thermodynamic stability limit in these materials. The influence of fluctuation effects on block copolymer and binary mixture phase behavior is compared and contrasted in this presentation
Energy Technology Data Exchange (ETDEWEB)
Mitra, Sukanya [Indian Institute of Technology Gandhinagar, Gandhinagar, Gujarat (India)
2018-01-15
The thermodynamics and covariant kinetic theory are elaborately investigated in a non-extensive environment considering the non-extensive generalization of Bose-Einstein (BE) and Fermi-Dirac (FD) statistics. Starting with Tsallis' entropy formula, the fundamental principles of thermostatistics are established for a grand canonical system having q-generalized BE/FD degrees of freedom. Many particle kinetic theory is set up in terms of the relativistic transport equation with q-generalized Uehling-Uhlenbeck collision term. The conservation laws are realized in terms of appropriate moments of the transport equation. The thermodynamic quantities are obtained in a weak non-extensive environment for a massive pion-nucleon and a massless quark-gluon system with non-zero baryon chemical potential. In order to get an estimate of the impact of non-extensivity on the system dynamics, the q-modified Debye mass and hence the q-modified effective coupling are estimated for a quark-gluon system. (orig.)
Mitra, Sukanya
2018-01-01
The thermodynamics and covariant kinetic theory are elaborately investigated in a non-extensive environment considering the non-extensive generalization of Bose-Einstein (BE) and Fermi-Dirac (FD) statistics. Starting with Tsallis' entropy formula, the fundamental principles of thermostatistics are established for a grand canonical system having q-generalized BE/FD degrees of freedom. Many particle kinetic theory is set up in terms of the relativistic transport equation with q-generalized Uehling-Uhlenbeck collision term. The conservation laws are realized in terms of appropriate moments of the transport equation. The thermodynamic quantities are obtained in a weak non-extensive environment for a massive pion-nucleon and a massless quark-gluon system with non-zero baryon chemical potential. In order to get an estimate of the impact of non-extensivity on the system dynamics, the q-modified Debye mass and hence the q-modified effective coupling are estimated for a quark-gluon system.
Nonlinear field theories and non-Gaussian fluctuations for near-critical many-body systems
International Nuclear Information System (INIS)
Tuszynski, J.A.; Dixon, J.M.; Grundland, A.M.
1994-01-01
This review article outlines a number of efforts made over the past several decades to understand the physics of near critical many-body systems. Beginning with the phenomenological theories of Landau and Ginzburg the paper discusses the two main routes adopted in the past. The first approach is based on statistical calculations while the second investigates the underlying nonlinear field equations. In the last part of the paper we outline a generalisation of these methods which combines classical and quantum properties of the many-body systems studied. (orig.)
Fluctuations When Driving Between Nonequilibrium Steady States
Riechers, Paul M.; Crutchfield, James P.
2017-08-01
Maintained by environmental fluxes, biological systems are thermodynamic processes that operate far from equilibrium without detailed-balanced dynamics. Yet, they often exhibit well defined nonequilibrium steady states (NESSs). More importantly, critical thermodynamic functionality arises directly from transitions among their NESSs, driven by environmental switching. Here, we identify the constraints on excess heat and dissipated work necessary to control a system that is kept far from equilibrium by background, uncontrolled "housekeeping" forces. We do this by extending the Crooks fluctuation theorem to transitions among NESSs, without invoking an unphysical dual dynamics. This and corresponding integral fluctuation theorems determine how much work must be expended when controlling systems maintained far from equilibrium. This generalizes thermodynamic feedback control theory, showing that Maxwellian Demons can leverage mesoscopic-state information to take advantage of the excess energetics in NESS transitions. We also generalize an approach recently used to determine the work dissipated when driving between functionally relevant configurations of an active energy-consuming complex system. Altogether, these results highlight universal thermodynamic laws that apply to the accessible degrees of freedom within the effective dynamic at any emergent level of hierarchical organization. By way of illustration, we analyze a voltage-gated sodium ion channel whose molecular conformational dynamics play a critical functional role in propagating action potentials in mammalian neuronal membranes.
OPEC's production under fluctuating oil prices. Further test of the target revenue theory
International Nuclear Information System (INIS)
Ramcharran, H.
2001-01-01
Oil production cutbacks in recent years by OPEC members to stabilize price and to increase revenues warrant further empirical verification of the target revenue theory (TRT). We estimate a modified version of Griffin (1985) target revenue model using data from 1973 to 2000. The sample period, unlike previous investigations, includes phases of both price increase (1970s) and price decrease (1980s-1990s), thus providing a better framework for examining production behavior. The results, like the earlier study, are not supportive of the strict version of the TRT, however, evidence (negative and significant elasticity of supply) of the partial version are substantiated. Further empirical estimates do not support the competitive pricing model, hypothesizing a positive elasticity of supply. OPEC's loss of market share and the drop in the share of oil-based energy should signal an adjustment in pricing and production strategies
Rational extended thermodynamics
Müller, Ingo
1998-01-01
Ordinary thermodynamics provides reliable results when the thermodynamic fields are smooth, in the sense that there are no steep gradients and no rapid changes. In fluids and gases this is the domain of the equations of Navier-Stokes and Fourier. Extended thermodynamics becomes relevant for rapidly varying and strongly inhomogeneous processes. Thus the propagation of high frequency waves, and the shape of shock waves, and the regression of small-scale fluctuation are governed by extended thermodynamics. The field equations of ordinary thermodynamics are parabolic while extended thermodynamics is governed by hyperbolic systems. The main ingredients of extended thermodynamics are • field equations of balance type, • constitutive quantities depending on the present local state and • entropy as a concave function of the state variables. This set of assumptions leads to first order quasi-linear symmetric hyperbolic systems of field equations; it guarantees the well-posedness of initial value problems and f...
A New Perspective on Thermodynamics
Lavenda, Bernard H
2010-01-01
Dr. Bernard H. Lavenda has written A New Perspective on Thermodynamics to combine an old look at thermodynamics with a new foundation. The book presents a historical perspective, which unravels the current presentation of thermodynamics found in standard texts, and which emphasizes the fundamental role that Carnot played in the development of thermodynamics. A New Perspective on Thermodynamics will: Chronologically unravel the development of the principles of thermodynamics and how they were conceived by their discoverers Bring the theory of thermodynamics up to the present time and indicate areas of further development with the union of information theory and the theory of means and their inequalities. New areas include nonextensive thermodynamics, the thermodynamics of coding theory, multifractals, and strange attractors. Reintroduce important, yet nearly forgotten, teachings of N.L. Sardi Carnot Highlight conceptual flaws in timely topics such as endoreversible engines, finite-time thermodynamics, geometri...
Brandow, B. H.
1986-01-01
A variational study of ground states of the orbitally nondegenerate Anderson lattice model, using a wave function with one variational parameter per Bloch state k, has been extended to deal with essentially metallic systems having a nonintegral number of electrons per site. Quasiparticle excitations are obtained by direct appeal to Landau's original definition for interacting Fermi liquids, scrEqp(k,σ)=δEtotal/δn qp(k,σ). This approach provides a simple and explicit realization of the Luttinger picture of a periodic Fermi liquid. A close correspondence is maintained between the ``interacting'' (U=∞) system and the corresponding ``noninteracting'' (U=0) case, i.e., ordinary band theory; the result can be described as a renormalized band or renormalized hybridization theory. The occupation-number distribution for the conduction orbitals displays a finite discontinuity at the Fermi surface. If the d-f hybridization is nonzero throughout the Brillouin zone, the quasiparticle spectrum will always exhibit a gap, although this gap becomes exponentially small (i.e., of order TK) in the Kondo-lattice regime. In the ``ionic'' case with precisely two electrons per site, such a system may therefore exhibit an insulating (semiconducting) gap. The quasiparticle state density exhibits a prominent spike on each side of the spectral gap, just as in the elementary hybridization model (the U=0 case). For the metallic case, with a nonintegral number of electrons per site, the Fermi level falls within one of the two sharp density peaks. The effective mass at the Fermi surface tends to be very large; enhancements by a factor >~102 are quite feasible. The foregoing variational theory has also been refined by means of a trial wave function having two variational parameters per Bloch state k. The above qualitative features are all retained, with some quantitative differences, but there are also some qualitatively new features. The most interesting of these is the appearance, within
Study of Thermodynamics of Liquid Noble-Metals Alloys Through a Pseudopotential Theory
International Nuclear Information System (INIS)
Vora, Aditya M.
2010-01-01
The Gibbs-Bogoliubov (GB) inequality is applied to investigate the thermodynamic properties of some equiatomic noble metal alloys in liquid phase such as Au-Cu, Ag-Cu, and Ag-Au using well recognized pseudopotential formalism. For description of the structure, well known Percus-Yevick (PY) hard sphere model is used as a reference system. By applying a variation method the best hard core diameters have been found which correspond to minimum free energy. With this procedure the thermodynamic properties such as entropy and heat of mixing have been computed. The influence of local field correction function viz; Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F), and Sarkar et al. (S) is also investigated. The computed results of the excess entropy compares favourably in the case of liquid alloys while the agreement with experiment is poor in the case of heats of mixing. This may be due to the sensitivity of the heats of mixing with the potential parameters and the dielectric function. (condensed matter: electronic structure, electrical, magnetic, and optical properties)
Saxena, A K
2014-01-01
Heat and thermodynamics aims to serve as a textbook for Physics, Chemistry and Engineering students. The book covers basic ideas of Heat and Thermodynamics, Kinetic Theory and Transport Phenomena, Real Gases, Liquafaction and Production and Measurement of very Low Temperatures, The First Law of Thermodynamics, The Second and Third Laws of Thermodynamics and Heat Engines and Black Body Radiation. KEY FEATURES Emphasis on concepts Contains 145 illustrations (drawings), 9 Tables and 48 solved examples At the end of chapter exercises and objective questions
New Insight into Short-Wavelength Solar Wind Fluctuations from Vlasov Theory
Sahraoui, Fouad; Belmont, G.; Goldstein, M. L.
2012-01-01
The nature of solar wind (SW) turbulence below the proton gyroscale is a topic that is being investigated extensively nowadays, both theoretically and observationally. Although recent observations gave evidence of the dominance of kinetic Alfven waves (KAWs) at sub-ion scales with omega omega (sub ci)) is more relevant. Here, we study key properties of the short-wavelength plasma modes under limited, but realistic, SW conditions, Typically Beta(sub i) approx. > Beta (sub e) 1 and for high oblique angles of propagation 80 deg theory, we discuss the relevance of each plasma mode (fast, Bernstein, KAW, whistler) in carrying the energy cascade down to electron scales. We show, in particular, that the shear Alfven mode (known in the magnetohydrodynamic limit) extends at scales kappa rho (sub i) approx. > 1 to frequencies either larger or smaller than omega (sub ci), depending on the anisotropy kappa (parallel )/ kappa(perpendicular). This extension into small scales is more readily called whistler (omega > omega (sub ci)) or KAW (omega < omega (sub ci)) although the mode is essentially the same. This contrasts with the well-accepted idea that the whistler branch always develops as a continuation at high frequencies of the fast magnetosonic mode. We show, furthermore, that the whistler branch is more damped than the KAW one, which makes the latter the more relevant candidate to carry the energy cascade down to electron scales. We discuss how these new findings may facilitate resolution of the controversy concerning the nature of the small-scale turbulence, and we discuss the implications for present and future spacecraft wave measurements in the SW.
Thermodynamic perturbation theory for associating fluids confined in a one-dimensional pore
Energy Technology Data Exchange (ETDEWEB)
Marshall, Bennett D. [ExxonMobil Research and Engineering, 22777 Springwoods Village Parkway, Spring, Texas 77389 (United States)
2015-06-21
In this paper, a new theory is developed for the self-assembly of associating molecules confined to a single spatial dimension, but allowed to explore all orientation angles. The interplay of the anisotropy of the pair potential and the low dimensional space results in orientationally ordered associated clusters. This local order enhances association due to a decrease in orientational entropy. Unlike bulk 3D fluids which are orientationally homogeneous, association in 1D necessitates the self-consistent calculation of the orientational distribution function. To test the new theory, Monte Carlo simulations are performed and the theory is found to be accurate. It is also shown that the traditional treatment in first order perturbation theory fails to accurately describe this system. The theory developed in this paper may be used as a tool to study hydrogen bonding of molecules in 1D zeolites as well as the hydrogen bonding of molecules in carbon nanotubes.
Directory of Open Access Journals (Sweden)
Ying Jiang
2017-02-01
Full Text Available This paper presents a theoretical formalism for describing systems of semiflexible polymers, which can have density variations due to finite compressibility and exhibit an isotropic-nematic transition. The molecular architecture of the semiflexible polymers is described by a continuum wormlike-chain model. The non-bonded interactions are described through a functional of two collective variables, the local density and local segmental orientation tensor. In particular, the functional depends quadratically on local density-variations and includes a Maier–Saupe-type term to deal with the orientational ordering. The specified density-dependence stems from a free energy expansion, where the free energy of an isotropic and homogeneous homopolymer melt at some fixed density serves as a reference state. Using this framework, a self-consistent field theory is developed, which produces a Helmholtz free energy that can be used for the calculation of the thermodynamics of the system. The thermodynamic properties are analysed as functions of the compressibility of the model, for values of the compressibility realizable in mesoscopic simulations with soft interactions and in actual polymeric materials.
Energy Technology Data Exchange (ETDEWEB)
Schweingruber, M
1981-11-01
The computer code MINEQL was adapted and extended to assess the solubility and speciation of radioactive waste nuclides in groundwaters under conditions which are expected to exist in the surroundings of planned underground repositories. By means of an additional data base including standard reaction enthalpies and heat capacities at 25/sup 0/C, the relevant equilibrium constants at 25/sup 0/C can be converted to other temperatures using Ulich's formulae. The activitiy coefficients for dissolved species are modelled with a temperature dependent function of the Davies' approximation type. The report is segmented in three main parts: (1) a review of the MINEQL fundamentals and a summary of the theory needed for the extensions; (2) an outline of the general program structure and of criteria applied to the selection of thermodynamic data; (3) a discussion of the results from first model applications to evaluate the solubility and speciation of U, Pu, Np and Th in two Swiss groundwaters, based either on the approach of negligible chemical disturbance or on a solid/solution titration concept. All thermodynamic data involved in this study are collected in an appendix, together with a compilation of references.
Thermodynamics and statistical physics. 2. rev. ed.
International Nuclear Information System (INIS)
Schnakenberg, J.
2002-01-01
This textbook covers tthe following topics: Thermodynamic systems and equilibrium, irreversible thermodynamics, thermodynamic potentials, stability, thermodynamic processes, ideal systems, real gases and phase transformations, magnetic systems and Landau model, low temperature thermodynamics, canonical ensembles, statistical theory, quantum statistics, fermions and bosons, kinetic theory, Bose-Einstein condensation, photon gas
Ben-Naim, Arieh
2017-01-01
This textbook introduces thermodynamics with a modern approach, starting from four fundamental physical facts (the atomic nature of matter, the indistinguishability of atoms and molecules of the same species, the uncertainty principle, and the existence of equilibrium states) and analyzing the behavior of complex systems with the tools of information theory, in particular with Shannon's measure of information (or SMI), which can be defined on any probability distribution. SMI is defined and its properties and time evolution are illustrated, and it is shown that the entropy is a particular type of SMI, i.e. the SMI related to the phase-space distribution for a macroscopic system at equilibrium. The connection to SMI allows the reader to understand what entropy is and why isolated systems follow the Second Law of Thermodynamics. The Second Llaw is also formulated for other systems, not thermally isolated and even open with respect to the transfer of particles. All the fundamental aspects of thermodynamics are d...
International Nuclear Information System (INIS)
Gomez Palacio, German Rau
1998-01-01
Ecology is no more a descriptive and self-sufficient science. Many viewpoints are needed simultaneously to give a full coverage of such complex systems: ecosystems. These viewpoints come from physics, chemistry, and nuclear physics, without a new far from equilibrium thermodynamics and without new mathematical tools such as catastrophe theory, fractal theory, cybernetics and network theory, the development of ecosystem science would never have reached the point of today. Some ideas are presented about the importance that concept such as energy, entropy, exergy information and none equilibrium have in the analysis of processes taking place in ecosystems
Wieser, R
2017-05-04
A self-consistent mean field theory is introduced and used to investigate the thermodynamics and spin dynamics of an S = 1 quantum spin system with a magnetic Skyrmion. The temperature dependence of the Skyrmion profile as well as the phase diagram are calculated. In addition, the spin dynamics of a magnetic Skyrmion is described by solving the time dependent Schrödinger equation with additional damping term. The Skyrmion annihilation process driven by an electric field is used to compare the trajectories of the quantum mechanical simulation with a semi-classical description for the spin expectation values using a differential equation similar to the classical Landau-Lifshitz-Gilbert equation.
Di Stefano, Stefano; Ercolani, Gianfranco
2017-01-26
An extension of the Jacobson-Stockmayer theory is presented to include the reversible formation of [2]catenanes in a ring-chain system under thermodynamic control. The extended theory is based on the molar catenation constant, measuring the ease of catenation of two ring oligomers, whose expression was obtained in a previous work. Two scenarios have been considered: that of "thick" (hydrocarbon-like) chains and that of "thin" (DNA-like) chains. In the case of "thick" chains, the formation of catenanes can be neglected, unless in the unlikely case of a very large value of the equilibrium constant for linear propagation (K ≈ 10 8 mol -1 L, or larger). For K tending to infinity, the system becomes a chain-free system where only ring-catenane equilibria occur. Under this condition, there is a critical concentration below which only rings are present at equilibrium and above which the ring fraction remains constant, and the excess monomer is converted only into catenanes. In the case of "thin" chains, the formation of catenanes cannot be neglected even for values of K as low as 10 2 mol -1 L, thus justifying the use of the extended theory.
Self-interacting, boson, quantum field theory, and the thermodynamic limit in d dimensions
International Nuclear Information System (INIS)
Baker, G.A. Jr.
1975-01-01
By use of a finite volume, lattice approximation, an approximation to the analytic continuation of a polynomial, self-interacting boson quantum field theory from Minkowski space to Euclidean space was set up. The infinite volume limit for various boundary conditions is shown to exist and to be asymptotic to the perturbation expansion in the coupling constant g at g = 0. For g: phi 4 : d theory mass renormalizability is proved and it is shown how, by use of Nelson's reconstruction theorem, the corresponding Minkowski space quantum field theory can be obtained. It is discussed, at least for d greater than or equal to 4, how statistical mechanical techniques, used to analyze the Ising model in the critical region just above the critical temperature, can be used to compute the properties of quantum field theory. (U.S.)
Thermodynamically efficient solar concentrators
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.
Jagannathan, Srinivasan; Küsel, Elizabeth T; Ratilal, Purnima; Makris, Nicholas C
2012-08-01
Bistatic, long-range measurements of acoustic scattered returns from vertically extended, air-filled tubular targets were made during three distinct field experiments in fluctuating continental shelf waveguides. It is shown that Sonar Equation estimates of mean target-scattered intensity lead to large errors, differing by an order of magnitude from both the measurements and waveguide scattering theory. The use of the Ingenito scattering model is also shown to lead to significant errors in estimating mean target-scattered intensity in the field experiments because they were conducted in range-dependent ocean environments with large variations in sound speed structure over the depth of the targets, scenarios that violate basic assumptions of the Ingenito model. Green's theorem based full-field modeling that describes scattering from vertically extended tubular targets in range-dependent ocean waveguides by taking into account nonuniform sound speed structure over the target's depth extent is shown to accurately describe the statistics of the targets' scattered field in all three field experiments. Returns from the man-made targets are also shown to have a very different spectral dependence from the natural target-like clutter of the dominant fish schools observed, suggesting that judicious multi-frequency sensing may often provide a useful means of distinguishing fish from man-made targets.
No pion condensate in nuclear matter due to fluctuations
International Nuclear Information System (INIS)
Kleinert, H.
1981-01-01
We show that if pion condensation occurs in a mean-field theory of infinite nuclear matter, fluctuations completely prevent the formation of a condensate as well as of the associated Goldstone mode. Thus if an increase of opalescence should ever be observed experimentally, it is these fluctuations which are measured rather than the scattering on the Goldstone modes. They preserve isotopic symmetry and increase very smoothly as the density passes the formerly critical density. There are no discontinuities in any thermodynamic quantitiy. (orig.)
International Nuclear Information System (INIS)
Rama Mohana Rao, D.; Rawat, Neetika; Manna, D.; Sawant, R.M.; Ghanty, T.K.; Tomar, B.S.
2013-01-01
Highlights: ► The thermodynamic parameters have been determined for the first time. ► The Th-picolinate complexation was exothermic in nature. ► The complexation of Th(IV) with the other two isomers was endothermic process. ► Isonicotinate forms stronger complexes than nicotinate with Th(IV). ► The theoretically calculated values are in line with the experimental results. -- Abstract: Complexation of thorium with pyridine monocarboxylates namely picolinic acid (pyridine-2-carboxylic acid), nicotinic acid (pyridine-3-carboxylic acid) and isonicotinic acid (pyridine-4-carboxylic acid) has been studied by potentiometry and calorimetry to determine the thermodynamic parameters (log K, ΔG, ΔH and ΔS) of complexation. All the studies were carried out at 1.0 M ionic strength adjusted by NaClO 4 and at a temperature of 298 K. The detailed analysis of potentiometric data by Hyperquad confirmed the formation of four complexes, ML i (i = 1–4) in case of picolinate but only one complex (ML) in case of nicotinate and isonicotinate. The stepwise formation constant for ML complex (log K ML ) of thorium-picolinate is higher than those of thorium-nicotinate and thorium-isonicotinate complexes. Further the changes in enthalpy during formation of thorium-picolinate complexes are negative whereas the same for the complexes of thorium with the other two isomers was positive. This difference in the complexation process is attributed to chelate formation in case of thorium-picolinate complexes in which the thorium ion is bound to the picolinate through both the nitrogen in the pyridyl ring and one of the carboxylate oxygen atoms. The complexation process of thorium-nicotinate and thorium-isonicotinate are found to be endothermic in nature and are entropy driven confirming the similar binding nature as in simple carboxylate complexes of thorium. The complexation energies, bond lengths and charges on each atom in the complexes of various possible geometries were calculated
Thermodynamic properties of and Nuclei using modified Ginzburg-Landau theory
Directory of Open Access Journals (Sweden)
V Dehghani
2016-09-01
Full Text Available In this paper, formulation of Modified Ginsberg – Landau theory of second grade phase transitions has been expressed. Using this theory, termodynamic properties, such as heat capacity, energy, entropy and order parameters ofandnuclei has been investigated. In the heat capacity curve, calculated according to tempreture, a smooth peak is observed which is assumed to be a signature of transition from the paired phase to the normal phase of the nuclei. The same pattern is also observed in the experimental data of the heat capacity of the studied nuclei. Calculations of this model shows that, by increasing tempreture, expectation value of the order parameter tends to zero with smoother slip, comparing with Ginsberg – Landau theory. This indicates that the pairing effect exists between nucleons even at high temperatures. The experimental data obtained confirms the results of the model qualitatively.
Apol, M.E F; Amadei, A; Berendsen, H.J.C.
1996-01-01
In this article we investigate the applicability of the statistical Gamma state as following from the quasi-Gaussian entropy theory, where all thermodynamic properties at every temperature are obtained from the knowledge of the potential energy distribution at one temperature. We compared for a
Quantum fluctuations from thermal fluctuations in Jacobson formalism
Energy Technology Data Exchange (ETDEWEB)
Faizal, Mir [University of British Columbia-Okanagan, Irving K. Barber School of Arts and Sciences, Kelowna, BC (Canada); University of Lethbridge, Department of Physics and Astronomy, Lethbridge, AB (Canada); Ashour, Amani; Alcheikh, Mohammad [Damascus University, Mathematics Department, Faculty of Science, Damascus (Syrian Arab Republic); Alasfar, Lina [Universite Clermont Auvergne, Laboratoire de Physique Corpusculaire de Clermont-Ferrand, Aubiere (France); Alsaleh, Salwa; Mahroussah, Ahmed [King Saud University, Department of Physics and Astronomy, Riyadh (Saudi Arabia)
2017-09-15
In the Jacobson formalism general relativity is obtained from thermodynamics. This is done by using the Bekenstein-Hawking entropy-area relation. However, as a black hole gets smaller, its temperature will increase. This will cause the thermal fluctuations to also increase, and these will in turn correct the Bekenstein-Hawking entropy-area relation. Furthermore, with the reduction in the size of the black hole, quantum effects will also start to dominate. Just as the general relativity can be obtained from thermodynamics in the Jacobson formalism, we propose that the quantum fluctuations to the geometry can be obtained from thermal fluctuations. (orig.)
International Nuclear Information System (INIS)
El Naschie, M.S.
2003-01-01
The paper is a rather informal introduction to the concepts and results of the E-infinity Cantorian theory of quantum physics. The fundamental tools of complexity theory and non-linear dynamics (Hausdorff dimensions, fat fractals, etc.) are used to give what we think to be a new interpretation of high energy physics and to determine the corresponding mass-spectrum. Particular attention is paid to the role played by the VAK, KAM theorem, Arnold diffusion, Newhaus sinks and knot theory in determining the stability of an elementary 'particle-wave' which emerges in self-organizatory manner out of sizzling vacuum fluctuation
Hou, Ling; Li, Wei-Dong; Wang, Fangwei; Eriksson, Olle; Wang, Bao-Tian
2017-12-01
We present a systematic investigation of the structural, magnetic, electronic, mechanical, and thermodynamic properties of CmO2 with the local density approximation (LDA)+U and the generalized gradient approximation (GGA)+U approaches. The strong Coulomb repulsion and the spin-orbit coupling (SOC) effects on the lattice structures, electronic density of states, and band gaps are carefully studied, and compared with other A O2 (A =U , Np, Pu, and Am). The ferromagnetic configuration with half-metallic character is predicted to be energetically stable while a charge-transfer semiconductor is predicted for the antiferromagnetic configuration. The elastic constants and phonon spectra show that the fluorite structure is mechanically and dynamically stable. Based on the first-principles phonon density of states, the lattice vibrational energy is calculated using the quasiharmonic approximation. Then, the Gibbs free energy, thermal expansion coefficient, specific heat, and entropy are obtained and compared with experimental data. The mode Grüneisen parameters are presented to analyze the anharmonic properties. The Slack relation is applied to obtain the lattice thermal conductivity in temperature range of 300-1600 K. The phonon group velocities are also calculated to investigate the heat transfer. For all these properties, if available, we compare the results of CmO2 with other A O2 .
Towards an evolutionary theory of the origin of life based on kinetics and thermodynamics.
Pascal, Robert; Pross, Addy; Sutherland, John D
2013-11-06
A sudden transition in a system from an inanimate state to the living state-defined on the basis of present day living organisms-would constitute a highly unlikely event hardly predictable from physical laws. From this uncontroversial idea, a self-consistent representation of the origin of life process is built up, which is based on the possibility of a series of intermediate stages. This approach requires a particular kind of stability for these stages-dynamic kinetic stability (DKS)-which is not usually observed in regular chemistry, and which is reflected in the persistence of entities capable of self-reproduction. The necessary connection of this kinetic behaviour with far-from-equilibrium thermodynamic conditions is emphasized and this leads to an evolutionary view for the origin of life in which multiplying entities must be associated with the dissipation of free energy. Any kind of entity involved in this process has to pay the energetic cost of irreversibility, but, by doing so, the contingent emergence of new functions is made feasible. The consequences of these views on the studies of processes by which life can emerge are inferred.
Thermodynamics of SU(N) Yang-Mills theories in 2+1 dimensions II. The Deconfined phase
Caselle, Michele; Feo, Alessandra; Gliozzi, Ferdinando; Gursoy, Umut; Panero, Marco; Schafer, Andreas
2012-01-01
We present a non-perturbative study of the equation of state in the deconfined phase of Yang-Mills theories in D=2+1 dimensions. We introduce a holographic model, based on the improved holographic QCD model, from which we derive a non-trivial relation between the order of the deconfinement phase transition and the behavior of the trace of the energy-momentum tensor as a function of the temperature T. We compare the theoretical predictions of this holographic model with a new set of high-precision numerical results from lattice simulations of SU(N) theories with N=2, 3, 4, 5 and 6 colors. The latter reveal that, similarly to the D=3+1 case, the bulk equilibrium thermodynamic quantities (pressure, trace of the energy-momentum tensor, energy density and entropy density) exhibit nearly perfect proportionality to the number of gluons, and can be successfully compared with the holographic predictions in a broad range of temperatures. Finally, we also show that, again similarly to the D=3+1 case, the trace of the en...
Learning in neural networks based on a generalized fluctuation theorem
Hayakawa, Takashi; Aoyagi, Toshio
2015-11-01
Information maximization has been investigated as a possible mechanism of learning governing the self-organization that occurs within the neural systems of animals. Within the general context of models of neural systems bidirectionally interacting with environments, however, the role of information maximization remains to be elucidated. For bidirectionally interacting physical systems, universal laws describing the fluctuation they exhibit and the information they possess have recently been discovered. These laws are termed fluctuation theorems. In the present study, we formulate a theory of learning in neural networks bidirectionally interacting with environments based on the principle of information maximization. Our formulation begins with the introduction of a generalized fluctuation theorem, employing an interpretation appropriate for the present application, which differs from the original thermodynamic interpretation. We analytically and numerically demonstrate that the learning mechanism presented in our theory allows neural networks to efficiently explore their environments and optimally encode information about them.
Non-equilibrium thermodynamics theory of econometric source discovery for large data analysis
van Bergem, Rutger; Jenkins, Jeffrey; Benachenhou, Dalila; Szu, Harold
2014-05-01
Almost all consumer and firm transactions are achieved using computers and as a result gives rise to increasingly large amounts of data available for analysts. The gold standard in Economic data manipulation techniques matured during a period of limited data access, and the new Large Data Analysis (LDA) paradigm we all face may quickly obfuscate most tools used by Economists. When coupled with an increased availability of numerous unstructured, multi-modal data sets, the impending 'data tsunami' could have serious detrimental effects for Economic forecasting, analysis, and research in general. Given this reality we propose a decision-aid framework for Augmented-LDA (A-LDA) - a synergistic approach to LDA which combines traditional supervised, rule-based Machine Learning (ML) strategies to iteratively uncover hidden sources in large data, the artificial neural network (ANN) Unsupervised Learning (USL) at the minimum Helmholtz free energy for isothermal dynamic equilibrium strategies, and the Economic intuitions required to handle problems encountered when interpreting large amounts of Financial or Economic data. To make the ANN USL framework applicable to economics we define the temperature, entropy, and energy concepts in Economics from non-equilibrium molecular thermodynamics of Boltzmann viewpoint, as well as defining an information geometry, on which the ANN can operate using USL to reduce information saturation. An exemplar of such a system representation is given for firm industry equilibrium. We demonstrate the traditional ML methodology in the economics context and leverage firm financial data to explore a frontier concept known as behavioral heterogeneity. Behavioral heterogeneity on the firm level can be imagined as a firm's interactions with different types of Economic entities over time. These interactions could impose varying degrees of institutional constraints on a firm's business behavior. We specifically look at behavioral heterogeneity for firms
Gravity as a thermodynamic phenomenon
Moustos, Dimitris
2017-01-01
The analogy between the laws of black hole mechanics and the laws of thermodynamics led Bekenstein and Hawking to argue that black holes should be considered as real thermodynamic systems that are characterised by entropy and temperature. Black hole thermodynamics indicates a deeper connection between thermodynamics and gravity. We review and examine in detail the arguments that suggest an interpretation of gravity itself as a thermodynamic theory.
International Nuclear Information System (INIS)
Puchkov, V.A.
1998-01-01
A method for calculation of non-equilibrium fluctuations in a totally ionized stable plasma with taking into account the particle collisions is proposed. The spectrum of high-frequency fluctuations of the electric field is calculated by the developed method. The formula obtained for the spectrum takes into consideration both the Coulomb collisions and influence of collective effects on the collisions and is applicable for stable arbitrary distributions of electrons and ions
Thermodynamic Lattice Study for Preconformal Dynamics in Strongly Flavored Gauge Theory
International Nuclear Information System (INIS)
Miura, Kohtaroh
2013-01-01
By using the lattice Monte-Carlo simulation, we investigate the finite temperature chiral phase transition in color SU(3) gauge theories with various species of fundamental fermions, and discuss the signals of the (pre-)conformality at large N f (number of flavors) via their comparisons. With increasing N f , we confirm stronger fermion screening which results from a larger fermion multiplicity. We investigate a finite T step-scaling which is attributed to the uniqueness of the critical temperature (T c ) at each N f , then the vanishing step-scaling signals the emergence of the conformality around N* f ∼ 10−12. Further, motivated by the recent functional renormalization group analyses, we examine the N f dependence of T c , whose vanishing behavior indicates that the conformal phase sets in around N* f ∼ 9 − 10.
The zero-action hypothesis and high-temperature thermodynamics in the heterotic superstring theory
Pollock, M. D.
2005-07-01
The effective action S for the Einstein theory of gravity coupled to massless scalar fields phi, spinor fields ψ and gauge vector fields Fij describing radiation, so that FijFij = 0, vanishes identically after substitution from the classical equations of motion, thus allowing a perfect fluid for which the energy density ρ and pressure p = (γ - 1)ρ are related by values of the adiabatic index throughout the range 4/3 high-temperature limit T Gt TH, after Euclideanizing the time coordinate, where TH is the Hagedorn temperature. The response of the action to the operators T, C and P is also discussed, T-invariance requiring γ = 2 and hence S = 0, and P-invariance requiring S = 0, showing that the zero-action hypothesis can be understood in terms of these discrete symmetries.
International Nuclear Information System (INIS)
Badirkhan, Z.; Pastore, G.; Tosi, M.P.
1991-06-01
Calculations of the thermodynamic properties and pair distribution function of a one-component classical fluid of charged hard spheres in a uniform neutralizing background are reported and compared with Monte Carlo results of Hansen and Weis. Thermodynamic selfconsistence between the virial pressure and the fluctuations formula for the isothermal compressibility is enforced in the calculations by various alternative approaches. The role of thermodynamic selfconsistence is crucial to obtain a satisfactory quantitative description of this model fluid, in view of its applications in the theory of liquid metals and of dispersions of charged colloidal particles. (author). 23 refs, 4 figs, 3 tabs
Directory of Open Access Journals (Sweden)
Trevor J. McDougall
2017-04-01
Full Text Available Tailleux has written about the concept of epineutral mixing and has attempted to justify it from an energetic viewpoint. However, Tailleux’s approach is incorrect because it ignores the unsteady nature of the density field during baroclinic motions, which in turn leads to incorrect conclusions. Tailleux also asserts that “adiabatic and isohaline parcel exchanges can only be meaningfully defined on material surfaces” that are functions of only Absolute Salinity and Conservative Temperature and are not separately a function of pressure. We disagree with this assertion because there is no physical reason why the ocean should care about a globally-defined function of Absolute Salinity and Conservative Temperature that we construct. Rather, in order to understand and justify the concept of epineutral mixing, we consider the known physical processes that occur at the in situ pressure of the mixing. The Tailleux paper begins with two incorrect equations that ignore the transience of the ocean. These errors echo throughout Tailleux, leading to sixteen conclusions, most of which we show are incorrect. (Comment on Tailleux, R. Neutrality Versus Materiality: A Thermodynamic Theory of Neutral Surfaces. Fluids 2016, 1, 32, doi:10.3390/fluids1040032.
International Nuclear Information System (INIS)
Zhou Mu; Wang Feng; Zheng Zhou; Liu Xiankun; Jiang Tao
2013-01-01
The elastic and thermodynamic properties of UO 2 under extreme physical condition are studied by using the density functional theory and quasi-harmonic Debye model. Results show that UO 2 is still stable ionic crystal under high temperatures, and pressures. Tetragonal shear constant is steady under high pressures and temperatures, while elastic constant C 44 is stable under high temperatures, but rises with pressure sharply. Bulk modulus, shear modulus and Young's modulus increase with pressure rapidly, but temperature would not cause evident debasement of the moduli, all of which indicate that UO 2 has excellent mechanical properties. Heat capacity of different pressures increases with temperature and is close to the Dulong-Petit limit near 1000 K. Debye temperature decreases with temperature, and increases with pressure. Under low pressure, thermal expansion coefficient raises with temperature rapidly, and then gets slow at higher pressure and temperature. Besides, the thermal expansion coefficient of UO 2 is much lower than that of other nuclear materials. (authors)
Extended irreversible thermodynamics and non-equilibrium temperature
Directory of Open Access Journals (Sweden)
Casas-Vazquez, Jose'
2008-02-01
Full Text Available We briefly review the concept of non-equilibrium temperature from the perspectives of extended irreversible thermodynamics, fluctuation theory, and statistical mechanics. The relations between different proposals are explicitly examined in two especially simple systems: an ideal gas in steady shear flow and a forced harmonic oscillator in a thermal bath. We examine with special detail temperatures related to the average molecular kinetic energy along different spatial directions, to the average configurational energy, to the derivative of the entropy with respect to internal energy, to fluctuation-dissipation relation and discuss their measurement.
International Nuclear Information System (INIS)
Kim, Jiwoong
2015-01-01
In theoretical calculations, expressing the random distribution of atoms in a certain crystal structure is still challenging. The special quasi-random structure (SQS) model is effective for depicting such random distributions. The SQS model has not been applied to semi-empirical thermodynamic calculations; however, Debye–Grüneisen theory (DGT), a semi-empirical method, was used here for that purpose. The model reliability was obtained by comparing supercell models of various sizes. The results for chemical bonds, pair correlation, and elastic properties demonstrated the reliability of the SQS models. Thermodynamic calculations using density functional perturbation theory (DFPT) and DGT assessed the applicability of the SQS models. DGT and DFPT led to similar variations of the mixing and formation energies. This study provides guidelines for theoretical assessments to obtain the reliable SQS models and to calculate the thermodynamic properties of numerous materials with a random atomic distribution. - Highlights: • Various material properties are used to examine reliability of special quasi-random structures. • SQS models are applied to thermodynamic calculations by semi-empirical methods. • Basic calculation guidelines for materials with random atomic distribution are given.
Black Holes and Thermodynamics
Wald, Robert M.
1997-01-01
We review the remarkable relationship between the laws of black hole mechanics and the ordinary laws of thermodynamics. It is emphasized that - in analogy with the laws of thermodynamics - the validity the laws of black hole mechanics does not appear to depend upon the details of the underlying dynamical theory (i.e., upon the particular field equations of general relativity). It also is emphasized that a number of unresolved issues arise in ``ordinary thermodynamics'' in the context of gener...
Nonequilibrium thermodynamic potentials for continuous-time Markov chains.
Verley, Gatien
2016-01-01
We connect the rare fluctuations of an equilibrium (EQ) process and the typical fluctuations of a nonequilibrium (NE) stationary process. In the framework of large deviation theory, this observation allows us to introduce NE thermodynamic potentials. For continuous-time Markov chains, we identify the relevant pairs of conjugated variables and propose two NE ensembles: one with fixed dynamics and fluctuating time-averaged variables, and another with fixed time-averaged variables, but a fluctuating dynamics. Accordingly, we show that NE processes are equivalent to conditioned EQ processes ensuring that NE potentials are Legendre dual. We find a variational principle satisfied by the NE potentials that reach their maximum in the NE stationary state and whose first derivatives produce the NE equations of state and second derivatives produce the NE Maxwell relations generalizing the Onsager reciprocity relations.
Contact symmetries and Hamiltonian thermodynamics
International Nuclear Information System (INIS)
Bravetti, A.; Lopez-Monsalvo, C.S.; Nettel, F.
2015-01-01
It has been shown that contact geometry is the proper framework underlying classical thermodynamics and that thermodynamic fluctuations are captured by an additional metric structure related to Fisher’s Information Matrix. In this work we analyse several unaddressed aspects about the application of contact and metric geometry to thermodynamics. We consider here the Thermodynamic Phase Space and start by investigating the role of gauge transformations and Legendre symmetries for metric contact manifolds and their significance in thermodynamics. Then we present a novel mathematical characterization of first order phase transitions as equilibrium processes on the Thermodynamic Phase Space for which the Legendre symmetry is broken. Moreover, we use contact Hamiltonian dynamics to represent thermodynamic processes in a way that resembles the classical Hamiltonian formulation of conservative mechanics and we show that the relevant Hamiltonian coincides with the irreversible entropy production along thermodynamic processes. Therefore, we use such property to give a geometric definition of thermodynamically admissible fluctuations according to the Second Law of thermodynamics. Finally, we show that the length of a curve describing a thermodynamic process measures its entropy production
Liang, L. L.; Arcus, V. L.; Heskel, M.; O'Sullivan, O. S.; Weerasinghe, L. K.; Creek, D.; Egerton, J. J. G.; Tjoelker, M. G.; Atkin, O. K.; Schipper, L. A.
2017-12-01
Temperature is a crucial factor in determining the rates of ecosystem processes such as leaf respiration (R) - the flux of plant respired carbon dioxide (CO2) from leaves to the atmosphere. Generally, respiration rate increases exponentially with temperature as modelled by the Arrhenius equation, but a recent study (Heskel et al., 2016) showed a universally convergent temperature response of R using an empirical exponential/polynomial model whereby the exponent in the Arrhenius model is replaced by a quadratic function of temperature. The exponential/polynomial model has been used elsewhere to describe shoot respiration and plant respiration. What are the principles that underlie these empirical observations? Here, we demonstrate that macromolecular rate theory (MMRT), based on transition state theory for chemical kinetics, is equivalent to the exponential/polynomial model. We re-analyse the data from Heskel et al. 2016 using MMRT to show this equivalence and thus, provide an explanation based on thermodynamics, for the convergent temperature response of R. Using statistical tools, we also show the equivalent explanatory power of MMRT when compared to the exponential/polynomial model and the superiority of both of these models over the Arrhenius function. Three meaningful parameters emerge from MMRT analysis: the temperature at which the rate of respiration is maximum (the so called optimum temperature, Topt), the temperature at which the respiration rate is most sensitive to changes in temperature (the inflection temperature, Tinf) and the overall curvature of the log(rate) versus temperature plot (the so called change in heat capacity for the system, ). The latter term originates from the change in heat capacity between an enzyme-substrate complex and an enzyme transition state complex in enzyme-catalysed metabolic reactions. From MMRT, we find the average Topt and Tinf of R are 67.0±1.2 °C and 41.4±0.7 °C across global sites. The average curvature (average
Statistical mechanics and the foundations of thermodynamics
International Nuclear Information System (INIS)
Martin-Loef, A.
1979-01-01
These lectures are designed as an introduction to classical statistical mechanics and its relation to thermodynamics. They are intended to bridge the gap between the treatment of the subject in physics text books and the modern presentations of mathematically rigorous results. We shall first introduce the probability distributions, ensembles, appropriate for describing systems in equilibrium and consider some of their basic physical applications. We also discuss the problem of approach to equilibrium and how irreversibility comes into the dynamics. We then give a detailed description of how the law of large numbers for macrovariables in equilibrium is derived from the fact that entropy is an extensive quantity in the thermodynamic limit. We show in a natural way how to split the energy changes in an thermodynamical process into work and heat leading to a derivation of the first and second laws of thermodynamics from the rules of thermodynamical equilibrium. We have elaborated this part in detail because we feel it is quite satisfactory, that the establishment of the limit of thermodynamic functions as achieved in the modern development of the mathematical aspects of statistical mechanics allows a more general and logically clearer presentation of the bases of thermodynamics. We close these lectures by presenting the basic facts about fluctuation theory. The treatment aims to be reasonably self-contained both concerning the physics and mathematics needed. No knowledge of quantum mechanics is presupposed. Since we spent a large part on mathematical proofs and give many technical facts these lectures are probably most digestive for the mathematically inclined reader who wants to understand the physics of the subject. (HJ)
International Nuclear Information System (INIS)
Mansson, B.A.
1990-01-01
Economics, as the social science most concerned with the use and distribution of natural resources, must start to make use of the knowledge at hand in the natural sciences about such resources. In this, thermodynamics is an essential part. In a physicists terminology, human economic activity may be described as a dissipative system which flourishes by transforming and exchanging resources, goods and services. All this involves complex networks of flows of energy and materials. This implies that thermodynamics, the physical theory of energy and materials flows, must have implications for economics. On another level, thermodynamics has been recognized as a physical theory of value, with value concepts similar to those of economic theory. This paper discusses some general aspects of the significance of non-equilibrium thermodynamics for economics. The role of exergy, probably the most important of the physical measures of value, is elucidated. Two examples of integration of thermodynamics with economic theory are reviewed. First, a simple model of a steady-state production system is sued to illustrate the effects of thermodynamic process constraints. Second, the framework of a simple macroeconomic growth model is used to illustrate how some thermodynamic limitations may be integrated in macroeconomic theory
Directory of Open Access Journals (Sweden)
Tommaso Ruggeri
2008-09-01
Full Text Available We discuss the different roles of the entropy principle in modern thermodynamics. We start with the approach of rational thermodynamics in which the entropy principle becomes a selection rule for physical constitutive equations. Then we discuss the entropy principle for selecting admissible discontinuous weak solutions and to symmetrize general systems of hyperbolic balance laws. A particular attention is given on the local and global well-posedness of the relative Cauchy problem for smooth solutions. Examples are given in the case of extended thermodynamics for rarefied gases and in the case of a multi-temperature mixture of fluids.
Effects of thermal fluctuations on non-minimal regular magnetic black hole
International Nuclear Information System (INIS)
Jawad, Abdul; Shahzad, M.U.
2017-01-01
We analyze the effects of thermal fluctuations on a regular black hole (RBH) of the non-minimal Einstein-Yang-Mill theory with gauge field of magnetic Wu-Yang type and a cosmological constant. We consider the logarithmic corrected entropy in order to analyze the thermal fluctuations corresponding to non-minimal RBH thermodynamics. In this scenario, we develop various important thermodynamical quantities, such as entropy, pressure, specific heats, Gibb's free energy and Helmholtz free energy. We investigate the first law of thermodynamics in the presence of logarithmic corrected entropy and non-minimal RBH. We also discuss the stability of this RBH using various frameworks such as the γ factor (the ratio of heat capacities), phase transition, grand canonical ensemble and canonical ensemble. It is observed that the non-minimal RBH becomes globally and locally more stable if we increase the value of the cosmological constant. (orig.)
Effects of thermal fluctuations on non-minimal regular magnetic black hole
Energy Technology Data Exchange (ETDEWEB)
Jawad, Abdul [COMSATS Institute of Information Technology, Department of Mathematics, Lahore (Pakistan); Shahzad, M.U. [COMSATS Institute of Information Technology, Department of Mathematics, Lahore (Pakistan); University of Central Punjab, CAMS, UCP Business School, Lahore (Pakistan)
2017-05-15
We analyze the effects of thermal fluctuations on a regular black hole (RBH) of the non-minimal Einstein-Yang-Mill theory with gauge field of magnetic Wu-Yang type and a cosmological constant. We consider the logarithmic corrected entropy in order to analyze the thermal fluctuations corresponding to non-minimal RBH thermodynamics. In this scenario, we develop various important thermodynamical quantities, such as entropy, pressure, specific heats, Gibb's free energy and Helmholtz free energy. We investigate the first law of thermodynamics in the presence of logarithmic corrected entropy and non-minimal RBH. We also discuss the stability of this RBH using various frameworks such as the γ factor (the ratio of heat capacities), phase transition, grand canonical ensemble and canonical ensemble. It is observed that the non-minimal RBH becomes globally and locally more stable if we increase the value of the cosmological constant. (orig.)
Charge-Induced Fluctuation Forces in Graphitic Nanostructures
Directory of Open Access Journals (Sweden)
D. Drosdoff
2016-01-01
Full Text Available Charge fluctuations in nanocircuits with capacitor components are shown to give rise to a novel type of long-ranged interaction, which coexist with the regular Casimir–van der Waals force. The developed theory distinguishes between thermal and quantum mechanical effects, and it is applied to capacitors involving graphene nanostructures. The charge fluctuations mechanism is captured via the capacitance of the system with geometrical and quantum mechanical components. The dependence on the distance separation, temperature, size, and response properties of the system shows that this type of force can have a comparable and even dominant effect to the Casimir interaction. Our results strongly indicate that fluctuation-induced interactions due to various thermodynamic quantities can have important thermal and quantum mechanical contributions at the microscale and the nanoscale.
Kim, Sunghee; Kim, Ki Chul; Lee, Seung Woo; Jang, Seung Soon
2016-07-27
Understanding the thermodynamic stability and redox properties of oxygen functional groups on graphene is critical to systematically design stable graphene-based positive electrode materials with high potential for lithium-ion battery applications. In this work, we study the thermodynamic and redox properties of graphene functionalized with carbonyl and hydroxyl groups, and the evolution of these properties with the number, types and distribution of functional groups by employing the density functional theory method. It is found that the redox potential of the functionalized graphene is sensitive to the types, number, and distribution of oxygen functional groups. First, the carbonyl group induces higher redox potential than the hydroxyl group. Second, more carbonyl groups would result in higher redox potential. Lastly, the locally concentrated distribution of the carbonyl group is more beneficial to have higher redox potential compared to the uniformly dispersed distribution. In contrast, the distribution of the hydroxyl group does not affect the redox potential significantly. Thermodynamic investigation demonstrates that the incorporation of carbonyl groups at the edge of graphene is a promising strategy for designing thermodynamically stable positive electrode materials with high redox potentials.
Energy fluctuations in a biharmonically driven nonlinear system
Indian Academy of Sciences (India)
analyse the nature of work and heat fluctuations and show that the steady state fluctuation .... The above equation is the statement of the first law of thermodynamics and ..... One of the authors (AMJ) thanks DST, India for financial support.
Thermodynamics of quantum strings
Morgan, M J
1994-01-01
A statistical mechanical analysis of an ideal gas of non-relativistic quantum strings is presented, in which the thermodynamic properties of the string gas are calculated from a canonical partition function. This toy model enables students to gain insight into the thermodynamics of a simple 'quantum field' theory, and provides a useful pedagogical introduction to the more complicated relativistic string theories. A review is also given of the thermodynamics of the open bosonic string gas and the type I (open) superstring gas. (author)
A Hamiltonian approach to Thermodynamics
Energy Technology Data Exchange (ETDEWEB)
Baldiotti, M.C., E-mail: baldiotti@uel.br [Departamento de Física, Universidade Estadual de Londrina, 86051-990, Londrina-PR (Brazil); Fresneda, R., E-mail: rodrigo.fresneda@ufabc.edu.br [Universidade Federal do ABC, Av. dos Estados 5001, 09210-580, Santo André-SP (Brazil); Molina, C., E-mail: cmolina@usp.br [Escola de Artes, Ciências e Humanidades, Universidade de São Paulo, Av. Arlindo Bettio 1000, CEP 03828-000, São Paulo-SP (Brazil)
2016-10-15
In the present work we develop a strictly Hamiltonian approach to Thermodynamics. A thermodynamic description based on symplectic geometry is introduced, where all thermodynamic processes can be described within the framework of Analytic Mechanics. Our proposal is constructed on top of a usual symplectic manifold, where phase space is even dimensional and one has well-defined Poisson brackets. The main idea is the introduction of an extended phase space where thermodynamic equations of state are realized as constraints. We are then able to apply the canonical transformation toolkit to thermodynamic problems. Throughout this development, Dirac’s theory of constrained systems is extensively used. To illustrate the formalism, we consider paradigmatic examples, namely, the ideal, van der Waals and Clausius gases. - Highlights: • A strictly Hamiltonian approach to Thermodynamics is proposed. • Dirac’s theory of constrained systems is extensively used. • Thermodynamic equations of state are realized as constraints. • Thermodynamic potentials are related by canonical transformations.
A Hamiltonian approach to Thermodynamics
International Nuclear Information System (INIS)
Baldiotti, M.C.; Fresneda, R.; Molina, C.
2016-01-01
In the present work we develop a strictly Hamiltonian approach to Thermodynamics. A thermodynamic description based on symplectic geometry is introduced, where all thermodynamic processes can be described within the framework of Analytic Mechanics. Our proposal is constructed on top of a usual symplectic manifold, where phase space is even dimensional and one has well-defined Poisson brackets. The main idea is the introduction of an extended phase space where thermodynamic equations of state are realized as constraints. We are then able to apply the canonical transformation toolkit to thermodynamic problems. Throughout this development, Dirac’s theory of constrained systems is extensively used. To illustrate the formalism, we consider paradigmatic examples, namely, the ideal, van der Waals and Clausius gases. - Highlights: • A strictly Hamiltonian approach to Thermodynamics is proposed. • Dirac’s theory of constrained systems is extensively used. • Thermodynamic equations of state are realized as constraints. • Thermodynamic potentials are related by canonical transformations.
Directory of Open Access Journals (Sweden)
M Aghaei Abchouyeh
2015-01-01
Full Text Available The future singularities are possible in a universe that is described by F(R theory. In previous studies the occurrence of the singularities in F(R theory have been considered by using a special function for the Hubble parameter and calculating the F(R function for each of the singularities. Using the specified Hubble parameter causes some difficulties in the study of the second law of thermodynamics. In this paper by using the scale factor, the behavior of F(R function near each type of the singularities is considered. We can check the validity of the second law of thermodynamics near the singularities. At first we study the Little Rip and then the other types of singularities are considered. The results show that the second law of thermodynamics is satisfied near the singularity type (I with some special conditions and is violated with some other conditions. it is satisfied near the Little Rip, type (II, (III and (IV singularities
Thermodynamics for the practicing engineer
Theodore, Louis; Vanvliet, Timothy
2009-01-01
This book concentrates specifically on the applications of thermodynamics, rather than the theory. It addresses both technical and pragmatic problems in the field, and covers such topics as enthalpy effects, equilibrium thermodynamics, non-ideal thermodynamics and energy conversion applications. Providing the reader with a working knowledge of the principles of thermodynamics, as well as experience in their application, it stands alone as an easy-to-follow self-teaching aid to practical applications and contains worked examples.
Weck, Philippe F.; Kim, Eunja; Greathouse, Jeffery A.; Gordon, Margaret E.; Bryan, Charles R.
2018-04-01
Elastic and thermodynamic properties of negative thermal expansion (NTE) α -ZrW2O8 have been calculated using PBEsol and PBE exchange-correlation functionals within the framework of density functional perturbation theory (DFPT). Measured elastic constants are reproduced within ∼ 2 % with PBEsol and ∼ 6 % with PBE. The thermal evolution of the Grüneisen parameter computed within the quasi-harmonic approximation exhibits negative values below the Debye temperature, consistent with observation. The standard molar heat capacity is predicted to be CP0 = 192.2 and 193.8 J mol-1K-1 with PBEsol and PBE, respectively. These results suggest superior accuracy of DFPT/PBEsol for studying the lattice dynamics, elasticity and thermodynamics of NTE materials.
2013-01-01
This book offers a comprehensive picture of nonequilibrium phenomena in nanoscale systems. Written by internationally recognized experts in the field, this book strikes a balance between theory and experiment, and includes in-depth introductions to nonequilibrium fluctuation relations, nonlinear dynamics and transport, single molecule experiments, and molecular diffusion in nanopores. The authors explore the application of these concepts to nano- and biosystems by cross-linking key methods and ideas from nonequilibrium statistical physics, thermodynamics, stochastic theory, and dynamical s
International Nuclear Information System (INIS)
Duthil, P
2014-01-01
The goal of this paper is to present a general thermodynamic basis that is useable in the context of superconductivity and particle accelerators. The first part recalls the purpose of thermodynamics and summarizes its important concepts. Some applications, from cryogenics to magnetic systems, are covered. In the context of basic thermodynamics, only thermodynamic equilibrium is considered
Energy Technology Data Exchange (ETDEWEB)
Duthil, P [Orsay, IPN (France)
2014-07-01
The goal of this paper is to present a general thermodynamic basis that is useable in the context of superconductivity and particle accelerators. The first part recalls the purpose of thermodynamics and summarizes its important concepts. Some applications, from cryogenics to magnetic systems, are covered. In the context of basic thermodynamics, only thermodynamic equilibrium is considered.
International Nuclear Information System (INIS)
Clarke, J.
1980-01-01
This paper briefly reviews sources of noise in Josephson junctions, and the limits they impose on the sensitivity of dc and rf SQUIDS. The results are strictly valid only for a resistively shunted junction (RSJ) with zero capacitance, but should be applicable to point contact junctions and microbridges in so far as these devices can be approximated by the RSJ model. Fluctuations arising from Nyquist noise in the resistive shunt of a single junction are discussed in the limit eI/sub o/R/k/sub B/T << 1 in which a classical treatment is appropriate, and then extend the treatment to the limit eI/sub o/R/k/sub B/T greater than or equal to 1 in which quantum effects become important. The Nyquist limit theory is used to calculate the noise in a dc SQUID, and the results are compared with a number of practical devices. The quantum limit is briefly considered. Results for the predicted sensitivity of rf SQUIDS are presented, and also compared with a number of practical devices. Finally, the importance of l/f noise (f is the frequency) in limiting the low frequency performance of SQUIDS is discussed
International Nuclear Information System (INIS)
Yang Xi; Liu Hui; Hou Haifeng; Flamm, Alison; Zhang Xuesheng; Wang Zunyao
2010-01-01
The thermodynamic properties of 75 polyfluorinated dibenzo-p-dioxins (PFDDs) in the ideal gas state at 298.15 K and 1.013 x 10 5 Pa have been calculated at the B3LYP/6-311G* level using Gaussian 03 program. The isodesmic reactions were designed to calculate standard enthalpy of formation (ΔH f o ) and standard free energy of formation (ΔG f o ) of PFDDs congeners. The relations of these thermodynamic parameters with the number and position of fluorine atom substitution (N PFS ) were discussed, and it was found that there exist high correlations between thermodynamic parameters (entropy (S o ), ΔH f o and ΔG f o ) and N PFS . According to the relative magnitude of their ΔG f o , the relative stability order of PFDD congeners was theoretically proposed.
Random-matrix physics: spectrum and strength fluctuations
International Nuclear Information System (INIS)
Brody, T.A.; Flores, J.; French, J.B.; Mello, P.A.; Pandey, A.; Wong, S.S.M.
1981-01-01
It now appears that the general nature of the deviations from uniformity in the spectrum of a complicated nucleus is essentially the same in all regions of the spectrum and over the entire Periodic Table. This behavior, moreover, is describable in terms of standard Hamiltonian ensembles which could be generated on the basis of simple information-theory concepts, and which give also a good account of fluctuation phenomena of other kinds and, apparently, in other many-body systems besides nuclei. The main departures from simple behavior are ascribable to the moderation of the level repulsion by effects due to symmetries and collectivities, for the description of which more complicated ensembles are called for. One purpose of this review is to give a self-contained account of the theory, using methods: sometimes approximate: which are consonant with the usual theory of stochastic processes. Another purpose is to give a proper foundation for the use of ensemble theory, to make clear the origin of the simplicities in the observable fluctuations, and to derive other general fluctuation results. In comparing theory and experiment, the authors give an analysis of much of the nuclear-energy-level data, as well as an extended discussion of observable effects in nuclear transitions and reactions and in the low-temperature thermodynamics of aggregates of small metallic particles
Bansal, Artee; Valiya Parambathu, Arjun; Asthagiri, D.; Cox, Kenneth R.; Chapman, Walter G.
2017-04-01
We present a theory to predict the structure and thermodynamics of mixtures of colloids of different diameters, building on our earlier work [A. Bansal et al., J. Chem. Phys. 145, 074904 (2016)] that considered mixtures with all particles constrained to have the same size. The patchy, solvent particles have short-range directional interactions, while the solute particles have short-range isotropic interactions. The hard-sphere mixture without any association site forms the reference fluid. An important ingredient within the multi-body association theory is the description of clustering of the reference solvent around the reference solute. Here we account for the physical, multi-body clusters of the reference solvent around the reference solute in terms of occupancy statistics in a defined observation volume. These occupancy probabilities are obtained from enhanced sampling simulations, but we also present statistical mechanical models to estimate these probabilities with limited simulation data. Relative to an approach that describes only up to three-body correlations in the reference, incorporating the complete reference information better predicts the bonding state and thermodynamics of the physical solute for a wide range of system conditions. Importantly, analysis of the residual chemical potential of the infinitely dilute solute from molecular simulation and theory shows that whereas the chemical potential is somewhat insensitive to the description of the structure of the reference fluid, the energetic and entropic contributions are not, with the results from the complete reference approach being in better agreement with particle simulations.
Energy Technology Data Exchange (ETDEWEB)
Sarmah, Amrit; Roy, Ram Kinkar, E-mail: rkroy2@rediffmail.com
2016-06-15
Highlights: • Kinetic and thermodynamic aspects of the interaction between fullerene (C{sub 32}) and SWCNT using CDASE scheme. • Role of symmetry of fullerenes as well as the site of covalent attachment to the SWCNT in the structural stability of the NanoBud structure. • Increase in the fullerene symmetry improves the relative stability of hybrid NanoBud structure. - Abstract: In the present study, we have rationalized the effect of variation in the symmetry of relatively smaller fullerene (C{sub 32}) on the mode of its interaction with semi-conducting Single-Walled Carbon Nanotubes (SWCNTs) in the process of formation of stable hybrid carbon NanoBuds. Thermodynamic and kinetic parameters, along with the charge transfer values associated with the interaction between fullerene and SWCNTs, have been evaluated using an un-conventional and computationally cost–effective method based on density functional reactivity theory (DFRT). In addition to this, conventional DFT based studies are also performed to substantiate the growth of NanoBud structures formed by the interaction between fullerene and SWCNTs. The findings of the present study suggest that the kinetic, thermodynamic and structural aspects of hybrid carbon NanoBuds are significantly influenced by both the symmetry of C{sub 32} fullerene and its site of covalent attachment to the SWCNT.
Nonequilibrium fluctuations in a resistor.
Garnier, N; Ciliberto, S
2005-06-01
In small systems where relevant energies are comparable to thermal agitation, fluctuations are of the order of average values. In systems in thermodynamical equilibrium, the variance of these fluctuations can be related to the dissipation constant in the system, exploiting the fluctuation-dissipation theorem. In nonequilibrium steady systems, fluctuations theorems (FT) additionally describe symmetry properties of the probability density functions (PDFs) of the fluctuations of injected and dissipated energies. We experimentally probe a model system: an electrical dipole driven out of equilibrium by a small constant current I, and show that FT are experimentally accessible and valid. Furthermore, we stress that FT can be used to measure the dissipated power P = R I2 in the system by just studying the PDFs' symmetries.
Directory of Open Access Journals (Sweden)
Frédéric Barbaresco
2016-11-01
Full Text Available We introduce the symplectic structure of information geometry based on Souriau’s Lie group thermodynamics model, with a covariant definition of Gibbs equilibrium via invariances through co-adjoint action of a group on its moment space, defining physical observables like energy, heat, and moment as pure geometrical objects. Using geometric Planck temperature of Souriau model and symplectic cocycle notion, the Fisher metric is identified as a Souriau geometric heat capacity. The Souriau model is based on affine representation of Lie group and Lie algebra that we compare with Koszul works on G/K homogeneous space and bijective correspondence between the set of G-invariant flat connections on G/K and the set of affine representations of the Lie algebra of G. In the framework of Lie group thermodynamics, an Euler-Poincaré equation is elaborated with respect to thermodynamic variables, and a new variational principal for thermodynamics is built through an invariant Poincaré-Cartan-Souriau integral. The Souriau-Fisher metric is linked to KKS (Kostant–Kirillov–Souriau 2-form that associates a canonical homogeneous symplectic manifold to the co-adjoint orbits. We apply this model in the framework of information geometry for the action of an affine group for exponential families, and provide some illustrations of use cases for multivariate gaussian densities. Information geometry is presented in the context of the seminal work of Fréchet and his Clairaut-Legendre equation. The Souriau model of statistical physics is validated as compatible with the Balian gauge model of thermodynamics. We recall the precursor work of Casalis on affine group invariance for natural exponential families.
Extended Irreversible Thermodynamics
Jou, David
2010-01-01
This is the 4th edition of the highly acclaimed monograph on Extended Irreversible Thermodynamics, a theory that goes beyond the classical theory of irreversible processes. In contrast to the classical approach, the basic variables describing the system are complemented by non-equilibrium quantities. The claims made for extended thermodynamics are confirmed by the kinetic theory of gases and statistical mechanics. The book covers a wide spectrum of applications, and also contains a thorough discussion of the foundations and the scope of the current theories on non-equilibrium thermodynamics. For this new edition, the authors critically revised existing material while taking into account the most recent developments in fast moving fields such as heat transport in micro- and nanosystems or fast solidification fronts in materials sciences. Several fundamental chapters have been revisited emphasizing physics and applications over mathematical derivations. Also, fundamental questions on the definition of non-equil...
Granet, Irving
2014-01-01
Fundamental ConceptsIntroductionThermodynamic SystemsTemperatureForce and MassElementary Kinetic Theory of GasesPressureReviewKey TermsEquations Developed in This ChapterQuestionsProblemsWork, Energy, and HeatIntroductionWorkEnergyInternal EnergyPotential EnergyKinetic EnergyHeatFlow WorkNonflow WorkReviewKey TermsEquations Developed in This ChapterQuestionsProblemsFirst Law of ThermodynamicsIntroductionFirst Law of ThermodynamicsNonflow SystemSteady-Flow SystemApplications of First Law of ThermodynamicsReviewKey TermsEquations Developed in This ChapterQuestionsProblemsThe Second Law of ThermodynamicsIntroductionReversibility-Second Law of ThermodynamicsThe Carnot CycleEntropyReviewKey TermsEquations Developed in This ChapterQuestionsProblemsProperties of Liquids and GasesIntroductionLiquids and VaporsThermodynamic Properties of SteamComputerized PropertiesThermodynamic DiagramsProcessesReviewKey TermsEquations Developed in This ChapterQuestionsProblemsThe Ideal GasIntroductionBasic ConsiderationsSpecific Hea...
Shchekin, Alexander K; Shabaev, Ilya V; Hellmuth, Olaf
2013-02-07
Thermodynamic and kinetic peculiarities of nucleation, deliquescence and efflorescence transitions in the ensemble of droplets formed on soluble condensation nuclei from a solvent vapor have been considered. The interplay of the effects of solubility and the size of condensation nuclei has been analyzed. Activation barriers for the deliquescence and phase transitions and for the reverse efflorescence transition have been determined as functions of the relative humidity of the vapor-gas atmosphere, initial size, and solubility of condensation nuclei. It has been demonstrated that, upon variations in the relative humidity of the atmosphere, the crossover in thermodynamically stable and unstable variables of the droplet state takes place. The physical meaning of stable and unstable variables has been clarified. The kinetic equations for establishing equilibrium and steady distributions of binary droplets have been solved. The specific times for relaxation, deliquescence and efflorescence transitions have been calculated.
Energy Technology Data Exchange (ETDEWEB)
Bansal, Artee; Asthagiri, D.; Cox, Kenneth R.; Chapman, Walter G., E-mail: wgchap@rice.edu [Department of Chemical and Biomolecular Engineering, Rice University, Houston, Texas 77251 (United States)
2016-08-21
A mixture of solvent particles with short-range, directional interactions and solute particles with short-range, isotropic interactions that can bond multiple times is of fundamental interest in understanding liquids and colloidal mixtures. Because of multi-body correlations, predicting the structure and thermodynamics of such systems remains a challenge. Earlier Marshall and Chapman [J. Chem. Phys. 139, 104904 (2013)] developed a theory wherein association effects due to interactions multiply the partition function for clustering of particles in a reference hard-sphere system. The multi-body effects are incorporated in the clustering process, which in their work was obtained in the absence of the bulk medium. The bulk solvent effects were then modeled approximately within a second order perturbation approach. However, their approach is inadequate at high densities and for large association strengths. Based on the idea that the clustering of solvent in a defined coordination volume around the solute is related to occupancy statistics in that defined coordination volume, we develop an approach to incorporate the complete information about hard-sphere clustering in a bulk solvent at the density of interest. The occupancy probabilities are obtained from enhanced sampling simulations but we also develop a concise parametric form to model these probabilities using the quasichemical theory of solutions. We show that incorporating the complete reference information results in an approach that can predict the bonding state and thermodynamics of the colloidal solute for a wide range of system conditions.
Czech Academy of Sciences Publication Activity Database
Šesták, Jaroslav; Mareš, Jiří J.; Hubík, Pavel; Proks, I.
2009-01-01
Roč. 97, č. 2 (2009), s. 679-683 ISSN 1388-6150 R&D Projects: GA AV ČR IAA1010404; GA AV ČR IAA100100639 Institutional research plan: CEZ:AV0Z10100521 Keywords : caloric as entropy * Carnot * efficiency * history * thermal analysis * thermodynamics Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.587, year: 2009
International Nuclear Information System (INIS)
Garcia-Moliner, F.
1975-01-01
Basic thermodynamics of a system consisting of two bulk phases with an interface. Solid surfaces: general. Discussion of experimental data on surface tension and related concepts. Adsorption thermodynamics in the Gibbsian scheme. Adsorption on inert solid adsorbents. Systems with electrical charges: chemistry and thermodynamics of imperfect crystals. Thermodynamics of charged surfaces. Simple models of charge transfer chemisorption. Adsorption heat and related concepts. Surface phase transitions
International Nuclear Information System (INIS)
Tserkovnikov, Yu.A.
2001-01-01
The regular method for deriving the equations for the Green functions in the tasks on the molecular hydrodynamics and kinetics, making it possible to account consequently the contribution into the generalized kinetics coefficients, conditioned by interaction of two, three and more hydrodynamic modes. In contrast to the general theory of perturbations by the interaction constant the consequent approximations are accomplished by the degree of accounting for the higher correlations, described by the irreducible functions [ru
Molecular thermodynamics of nonideal fluids
Lee, Lloyd L
2013-01-01
Molecular Thermodynamics of Nonideal Fluids serves as an introductory presentation for engineers to the concepts and principles behind and the advances in molecular thermodynamics of nonideal fluids. The book covers related topics such as the laws of thermodynamics; entropy; its ensembles; the different properties of the ideal gas; and the structure of liquids. Also covered in the book are topics such as integral equation theories; theories for polar fluids; solution thermodynamics; and molecular dynamics. The text is recommended for engineers who would like to be familiarized with the concept
Elastic constants from microscopic strain fluctuations
Sengupta; Nielaba; Rao; Binder
2000-02-01
Fluctuations of the instantaneous local Lagrangian strain epsilon(ij)(r,t), measured with respect to a static "reference" lattice, are used to obtain accurate estimates of the elastic constants of model solids from atomistic computer simulations. The measured strains are systematically coarse-grained by averaging them within subsystems (of size L(b)) of a system (of total size L) in the canonical ensemble. Using a simple finite size scaling theory we predict the behavior of the fluctuations as a function of L(b)/L and extract elastic constants of the system in the thermodynamic limit at nonzero temperature. Our method is simple to implement, efficient, and general enough to be able to handle a wide class of model systems, including those with singular potentials without any essential modification. We illustrate the technique by computing isothermal elastic constants of "hard" and "soft" disk triangular solids in two dimensions from Monte Carlo and molecular dynamics simulations. We compare our results with those from earlier simulations and theory.
Thermodynamic Geometry and Hawking Radiation
Bellucci, S
2010-01-01
This work explores the role of thermodynamic fluctuations in the two parameter Hawking radiating black hole configurations. The system is characterized by an ensemble of arbitrary mass and radiation frequency of the black holes. In the due course of the Hawking radiations, we find that the intrinsic geometric description exhibits an intriguing set of exact pair correction functions and global correlation lengths. We investigate the nature of the constant amplitude radiation and find that it's not stable under fluctuations of the mass and frequency. Subsequently, the consideration of the York model decreasing amplitude radiation demonstrates that thermodynamic fluctuations are globally stable in the small frequency region. In connection with quantum gravity refinements, we take an account of the logarithmic correction into the constant amplitude and York amplitude over the Hawking radiation. In both considerations, we notice that the nature of the possible parametric fluctuations may precisely be ascertained w...
Big Bang or vacuum fluctuation
International Nuclear Information System (INIS)
Zel'dovich, Ya.B.
1980-01-01
Some general properties of vacuum fluctuations in quantum field theory are described. The connection between the ''energy dominance'' of the energy density of vacuum fluctuations in curved space-time and the presence of singularity is discussed. It is pointed out that a de-Sitter space-time (with the energy density of the vacuum fluctuations in the Einstein equations) that matches the expanding Friedman solution may describe the history of the Universe before the Big Bang. (P.L.)
Nonequilibrium quantum fluctuations of work.
Allahverdyan, A E
2014-09-01
The concept of work is basic for statistical thermodynamics. To gain a fuller understanding of work and its (quantum) features, it needs to be represented as an average of a fluctuating quantity. Here I focus on the work done between two moments of time for a thermally isolated quantum system driven by a time-dependent Hamiltonian. I formulate two natural conditions needed for the fluctuating work to be physically meaningful for a system that starts its evolution from a nonequilibrium state. The existing definitions do not satisfy these conditions due to issues that are traced back to noncommutativity. I propose a definition of fluctuating work that is free of previous drawbacks and that applies for a wide class of nonequilibrium initial states. It allows the deduction of a generalized work-fluctuation theorem that applies for an arbitrary (out-of-equilibrium) initial state.
Kalikmanov, V.I.; De Leeuw, S.W.
2002-01-01
We propose a self-consistent mean-field lattice-gas theory of intercalation compounds based on effective interactions between interstitials in the presence of the host atoms. In addition to short-range screened Coulomb repulsions, usually discussed in the lattice gas models, the present theory takes
Stochastic deformation of a thermodynamic symplectic structure
Kazinski, P. O.
2008-01-01
A stochastic deformation of a thermodynamic symplectic structure is studied. The stochastic deformation procedure is analogous to the deformation of an algebra of observables like deformation quantization, but for an imaginary deformation parameter (the Planck constant). Gauge symmetries of thermodynamics and corresponding stochastic mechanics, which describes fluctuations of a thermodynamic system, are revealed and gauge fields are introduced. A physical interpretation to the gauge transform...
Lin, Shan; Lü, Tianquan; Jin, Changqing; Wang, Xiaohui
2006-10-01
Grain size effects on the dielectric properties of BaTiO3 nanoceramics have been studied by using the modified Ginsburg-Landau-Devonshire (GLD) thermodynamic theory. Considering the existence of internal stresses, it is found that with decreasing grain size the transition temperature of cubic-tetragonal phase decreases, while those of tetragonal-orthorhombic and orthorhombic-rhombohedral phases increase. With further reducing grain size, our model predicts that the two ferroelectric structures of orthorhombic and tetragonal phases will become unstable and disappear at a critical size, leaving only one stable ferroelectric phase of rhombohedral structure. Consequently, a theoretical phase diagram of the transition temperature versus grain size is established wherein two triple points and a reentrance behavior are indicated. The results are compared with experimental data.
Antari, A. El; Zahir, H.; Hasnaoui, A.; Hachem, N.; Alrajhi, A.; Madani, M.; Bouziani, M. El
2018-04-01
Using the renormalization group approximation, specifically the Migdal-Kadanoff technique, we investigate the Blume-Capel model with mixed spins S = 1/2 and S = 5/2 on d-dimensional hypercubic lattice. The flow in the parameter space of the Hamiltonian and the thermodynamic functions are determined. The phase diagram of this model is plotted in the (anisotropy, temperature) plane for both cases d = 2 and d = 3 in which the system exhibits the first and second order phase transitions and critical end-points. The associated fixed points are drawn up in a table, and by linearizing the transformation at the vicinity of these points, we determine the critical exponents for d = 2 and d = 3. We have also presented a variation of the free energy derivative at the vicinity of the first and second order transitions. Finally, this work is completed by a discussion and comparison with other approximation.
International Nuclear Information System (INIS)
Reynaud, S.; Giacobino, S.; Zinn-Justin, J.
1997-01-01
This course is dedicated to present in a pedagogical manner the recent developments in peculiar fields concerned by quantum fluctuations: quantum noise in optics, light propagation through dielectric media, sub-Poissonian light generated by lasers and masers, quantum non-demolition measurements, quantum electrodynamics applied to cavities and electrical circuits involving superconducting tunnel junctions. (A.C.)
Universal mesoscopic conductance fluctuations
International Nuclear Information System (INIS)
Evangelou, S.N.
1992-01-01
The theory of conductance fluctuations in disordered metallic systems with size large compared to the mean free path of the electron but small compared to localization length is considered. It is demonstrates that fluctuations have an universal character and are due to repulsion between levels and spectral rigidity. The basic fluctuation measures for the energy spectrum in the mesoscopic regime of disordered systems are consistent with the Gaussian random matrix ensemble predictions. Although our disordered electron random matrix ensemble does not belong to the Gaussian ensemble the two ensembles turn out to be essentially similar. The level repulsion and the spectral rigidity found in nuclear spectra should also be observed in the metallic regime of Anderson localization. 7 refs. (orig.)
Microscopic thermodynamics with levitated nanoparticles (Conference Presentation)
Gieseler, Jan; Jain, Vijay; Moritz, Clemens; Dellago, Christoph; Quidant, Romain; Novotny, Lukas
2016-09-01
Micsospheres trapped in liquid by so called optical tweezers have been established as useful tools to study microscopic thermodynamics. Since the sphere is in direct contact with the liquid, it is strongly coupled to the thermal bath and its dynamics is dominated by thermal fluctuations. In contrast, here we use an optically trapped nanoparticle in vacuum to study fluctuations of a system that is coupled only weakly to the thermal bath. The weak coupling allows us to resolve the ballistic dynamics and to control its motion via modulation of the trapping beam, thereby preparing it in a highly non-thermal state. We develop a theory for the effective Hamiltonian that describes the system dynamics in this state and show that all the relevant parameters can be controlled in situ. This tunability allows us to study classical fluctuation theorems for different effective Hamiltonians and for varying coupling to the thermal bath ranging over several orders of magnitude. The ultimate goal, however, is to completely suppress the effect of the thermal bath and to prepare the levitated nanoparticle in a quantum mechanical state. Our most recent result indicate that this regime is now within reach.
Fluctuation theorems and atypical trajectories
International Nuclear Information System (INIS)
Sahoo, M; Lahiri, S; Jayannavar, A M
2011-01-01
In this work, we have studied simple models that can be solved analytically to illustrate various fluctuation theorems. These fluctuation theorems provide symmetries individually to the distributions of physical quantities such as the classical work (W c ), thermodynamic work (W), total entropy (Δs tot ) and dissipated heat (Q), when the system is driven arbitrarily out of equilibrium. All these quantities can be defined for individual trajectories. We have studied the number of trajectories which exhibit behaviour unexpected at the macroscopic level. As the time of observation increases, the fraction of such atypical trajectories decreases, as expected at the macroscale. The distributions for the thermodynamic work and entropy production in nonlinear models may exhibit a peak (most probable value) in the atypical regime without violating the expected average behaviour. However, dissipated heat and classical work exhibit a peak in the regime of typical behaviour only.
A commentary on thermodynamics
Day, William Alan
1988-01-01
The aim of this book is to comment on, and clarify, the mathematical aspects of the theory of thermodynamics. The standard presentations of the subject are often beset by a number of obscurities associated with the words "state", "reversible", "irreversible", and "quasi-static". This book is written in the belief that such obscurities are best removed not by the formal axiomatization of thermodynamics, but by setting the theory in the wider context of a genuine field theory which incorporates the effects of heat conduction and intertia, and proving appropriate results about the governing differential equations of this field theory. Even in the simplest one-dimensional case it is a nontrivial task to carry through the details of this program, and many challenging problems remain open.
Fluctuation spectroscopy: From Rayleigh-Jeans waves to Abrikosov vortex clusters
Varlamov, A. A.; Galda, A.; Glatz, A.
2018-01-01
Superconducting (SC) fluctuations, discovered in the late 1960s, have constituted an important research area in superconductivity as they are manifest in a variety of phenomena. Indeed, the underlying physics of SC fluctuations makes it possible to elucidate the fundamental properties of the superconducting state. The interest in SC fluctuation phenomena was further enhanced with the discovery of cuprate high-temperature superconductors (HTSs). In these materials, superconducting fluctuations appear over a wide range of temperatures due to the superconductors extremely short coherence lengths and low effective dimensionality of the electron systems. These strong fluctuations lead to anomalous properties of the normal state in some HTS materials. Within the framework of the phenomenological Ginzburg-Landau theory, and more extensively in the diagrammatic microscopic approach based on BCS theory, SC fluctuations as well as other quantum contributions (weak localization, etc.) enabled a new way to investigate and characterize disordered electron systems, granular metals, Josephson structures, artificial superlattices, and others. The characteristic feature of SC fluctuations is its strong dependence on temperature and magnetic field in the vicinity of the superconducting phase transition. This dependence allows the separation of fluctuation effects from other contributions and provides information about the microscopic parameters of a material, in particular, the critical temperature and the zero-temperature critical magnetic field. As such, SC fluctuations are very sensitive to the relaxation processes that break phase coherence and can be used as a versatile characterization instrument for SCs: Fluctuation spectroscopy has emerged as a powerful tool for studying the properties of superconducting systems on a quantitative level. Here the physics of SC fluctuations is reviewed, commencing from a qualitative description of thermodynamic fluctuations close to the
Thermodynamic properties of a quasi-harmonic model for ferroelectric transitions
International Nuclear Information System (INIS)
Mkam Tchouobiap, S E; Mashiyama, H
2011-01-01
Within a framework of a quasi-harmonic model for quantum particles in a local potential of the double Morse type and within the mean-field approximation for interactions between particles, we investigate the thermodynamic properties of ferroelectric materials. A quantum thermodynamic treatment gives analytic expressions for the internal energy, the entropy, the specific heat, and the static susceptibility. The calculated thermodynamic characteristics are studied as a function of temperature and energy barrier, where it is shown that at the proper choice of the theory parameters, particularly the energy barrier, the model system exhibits characteristic features of either second-order tricritical or first-order phase transitions. Our results indicate that the barrier energy seems to be an important criterion for the character of the structural phase transition. The influence of quantum fluctuations manifested on zero-point energy on the phase transition and thermodynamic properties is analyzed and discussed. This leads to several quantum effects, including the existence of a saturation regime at low temperatures, where the order parameter saturates giving thermodynamic saturation of the calculated thermodynamic quantities. It is found that both quantum effects and energy barrier magnitude have an important influence on the thermodynamic properties of the ferroelectric materials and on driving the phase transition at low temperatures. Also, the analytical parameters' effect on the transition temperature is discussed, which seems to give a general insight into the structural phase transition and its nature.
Debbasch, F.
2011-01-01
The logical structure of classical thermodynamics is presented in a modern, geometrical manner. The first and second law receive clear, operatively oriented statements and the Gibbs free energy extremum principle is fully discussed. Applications relevant to chemistry, such as phase transitions, dilute solutions theory and, in particular, the law…
Yourgrau, Wolfgang; Raw, Gough
2002-01-01
Extensively revised edition of a much-respected work examines thermodynamics of irreversible processes, general principles of statistical thermodynamics, assemblies of noninteracting structureless particles, and statistical theory. 1966 edition.
International Nuclear Information System (INIS)
Qu, Ruijuan; Liu, Hongxia; Zhang, Qi; Flamm, Alison; Yang, Xi; Wang, Zunyao
2012-01-01
Highlights: ► The strength of the hydrogen bonds existed in PHOXTHs is ascertained. ► Good linear relations exist between the thermodynamic properties and N PHOS . ► The relative stability order of PHOXTH congeners is theoretically proposed. ► There is a good relation between C p,m and the temperature. - Abstract: There are three types of intramolecular hydrogen bonds with bond energy about 52 kJ mol −1 , 12 kJ mol −1 , 20 kJ mol −1 , respectively in PHOXTHs which were determined by computation on B3LYP/6-311G** level. The internal rotational potentials of the hydroxy group of 1-MHOXTH and 4′-MHOXTH are evaluated, and the influences of the spatial orientation of the hydroxy groups on the intramolecular hydrogen bonds and molecular stability are illustrated. The standard enthalpy of formation (Δ f H θ ) and standard Gibbs energy of formation (Δ f G θ ) for the most stable conformation of 135 PHOXTHs are calculated by the combination of Gaussian 03 and isodesmic reactions and the theoretical order of relative stability is proposed according to the relative magnitude of calculated Δ f G θ values. In addition, the values of molar heat capacities at constant pressure (C p,m ) from 200 to 1000 K for PHOXTH congeners are calculated.
Energy Technology Data Exchange (ETDEWEB)
Cao, Xiaobin
2011-01-15
quasi-particle peak broadens and splits into two bands, which indicates a break down of the Fermi liquid picture. The comparison between our results and those obtained using the second-order Born approximation shows that the perturbation theory is unreliable near the Fermi surface. Also with our non-Gaussian fluctuations, our calculation of spectral functions can explain the experimental angle-resolved photoemission spectroscopy (ARPES) data in a reasonable way. At last, the optical conductivity calculation confirms a zero dc conductivity in our model, and suggests that a finite dc conductivity obtained in a former calculation is just an artifact of the perturbation theory. (orig.)
International Nuclear Information System (INIS)
Cao, Xiaobin
2011-01-01
-particle peak broadens and splits into two bands, which indicates a break down of the Fermi liquid picture. The comparison between our results and those obtained using the second-order Born approximation shows that the perturbation theory is unreliable near the Fermi surface. Also with our non-Gaussian fluctuations, our calculation of spectral functions can explain the experimental angle-resolved photoemission spectroscopy (ARPES) data in a reasonable way. At last, the optical conductivity calculation confirms a zero dc conductivity in our model, and suggests that a finite dc conductivity obtained in a former calculation is just an artifact of the perturbation theory. (orig.)
International Nuclear Information System (INIS)
Bernhoeft, N.; Lander, G.H.; Colineau, E.
2003-01-01
An asymmetric shift in the position of the magnetic Bragg peak with respect to the fiducial lattice has been observed by resonant X-ray scattering in a diverse series of antiferromagnetic compounds. This apparent violation of Bragg's law is interpreted in terms of a dynamically phased order parameter. We demonstrate the use of this effect as a novel probe of fragile or dynamic thermodynamic order in strongly correlated electronic systems. In particular, fresh light is shed on the paradoxical situation encountered in URu 2 Si 2 where the measured entropy gain on passing through T Neel is incompatible with the ground state moment estimated by neutron diffraction. The intrinsic space-time averaging of the probe used to characterise the thermodynamic macroscopic state may play a crucial and previously neglected role. In turn, this suggests the further use of resonant X-ray scattering in investigations of systems dominated by quantum fluctuations. (author)
Non-classical homogeneous precipitation mediated by compositional fluctuations in titanium alloys
International Nuclear Information System (INIS)
Nag, S.; Zheng, Y.; Williams, R.E.A.; Devaraj, A.; Boyne, A.; Wang, Y.; Collins, P.C.; Viswanathan, G.B.; Tiley, J.S.; Muddle, B.C.; Banerjee, R.
2012-01-01
This paper presents experimental evidence of homogeneous precipitation of the α-phase within the β matrix of a titanium alloy, and then accounts for this phase transformation by a new, non-classical mechanism involving compositional fluctuations, based on the pseudo-spinodal concept [1]. This mechanism involves local compositional fluctuations of small amplitude which, when of a certain magnitude, can favor thermodynamically certain regions of the β matrix to transform congruently to the α-phase but with compositions far from equilibrium. Subsequently, as measured experimentally using the tomographical atom probe, continuous diffusional partitioning between the parent β- and product α-phases during isothermal annealing drives their compositions towards equilibrium. For a given alloy composition, the decomposition mechanism is strongly temperature dependent, which would be expected for homogeneous precipitation via the compositional fluctuation-mediated mechanism but not necessarily for one based on classical nucleation theory. The applicability of this mechanism to phase transformations in general is noted.
Directory of Open Access Journals (Sweden)
Clênia Rodrigues Alcântara
2008-03-01
Full Text Available O objetivo deste trabalho foi testar uma teoria termodinâmica em brisas marítimas-terrestres acopladas com brisas de vale-montanha através de simulações numéricas tridimensionais em uma região da costa leste do Nordeste Brasileiro, considerando a presença e a ausência da topografia. Embora o contraste de temperatura entre as superfícies seja importante na formação da brisa, a eficiência termodinâmica é fundamental na determinação da sua intensidade. Tem-se que a inclinação faz com que a diferença de pressão entre dois pontos fique maior durante o dia e menor durante a noite contribuindo para a formação de brisas marítimas mais intensas e de brisas terrestres menos intensas, respectivamente. A máxima queda de pressão ocorre por volta de três horas antes da máxima intensidade da brisa. Isso porque grande parte da energia disponibilizada para as circulações é gasta para vencer dissipação, principalmente, no período diurno, quando esses processos são realmente efetivos. Do ponto de vista puramente termodinâmico a inclinação da montanha atua para intensificar a brisa durante o dia e para enfraquecê-la durante a noite.In this work we test a thermodynamic theory for sea-land breeze coupled with valley-mountain breeze through tri-dimensional numeric simulations. We verify the presence of such a breeze in Northeast Brazil's east coast and perform experiments with and without the topography of the region. Although the temperature contrast between two surfaces is important in forming the breezes, the thermodynamic efficiency is a key parameter for the breeze intensity. The presence of the slope causes the pressure difference between two points to increase during the day and to decrease during the night. This contributes for more intense daytime breeze and less intense nighttime ones. The maximum pressure drop occurs about three hours prior the maximum intensity of the sea breeze. This is because most of the available
Some aspects of plasma thermodynamics
International Nuclear Information System (INIS)
Gorgoraki, V.I.
1986-01-01
The objective reasons which have inhibited the development of a plasma-thermodynamics theory are discussed and the authors formulate the fundamental principles which can be the basis of a common plasma-thermodynamics theory. Two kinds of thermodynamic equilibrium plasmas are discussed, an isothermal plasma and a nonisothermal plasma. An isothermal plasma is a high-temperature plasma; the Saha-Eggert equation describes its behavior. A nonisothermal plasma is a low-temperature plasma, and the reactions taking place therein are purely plasma-chemical. The ionization equilibrium and the composition of such a plasma can be found with the aid of the equations presented in this paper
Thermodynamic instabilities in hot and dense nuclear matter
Directory of Open Access Journals (Sweden)
Lavagno A.
2016-01-01
Full Text Available We study the presence of thermodynamic instabilities in a hot and dense nuclear medium where a nuclear phase transition can take place. Similarly to the low density nuclear liquid-gas phase transition, we show that such a phase transition is characterized by pure hadronic matter with both mechanical instability (fluctuations on the baryon density that by chemical-diffusive instability (fluctuations on the strangeness concentration. The analysis is performed by requiring the global conservation of baryon number and zero net strangeness in the framework of an effective relativistic mean field theory with the inclusion of the Δ(1232-isobars, hyperons and the lightest pseudoscalar and vector meson degrees of freedom. It turns out that in this situation hadronic phases with different values of strangeness content may coexist, altering significantly meson-antimeson ratios.
Fluctuation relations for anomalous dynamics
International Nuclear Information System (INIS)
Chechkin, A V; Klages, R
2009-01-01
We consider work fluctuation relations (FRs) for generic types of dynamics generating anomalous diffusion: Lévy flights, long-correlated Gaussian processes and time-fractional kinetics. By combining Langevin and kinetic approaches we calculate the probability distributions of mechanical and thermodynamical work in two paradigmatic nonequilibrium situations, respectively: a particle subject to a constant force and a particle in a harmonic potential dragged by a constant force. We check the transient FR for two models exhibiting superdiffusion, where a fluctuation-dissipation relation does not exist, and for two other models displaying subdiffusion, where there is a fluctuation-dissipation relation. In the two former cases the conventional transient FR is not recovered, whereas in the latter two it holds either exactly or in the long-time limit. (letter)
Mechanics, Waves and Thermodynamics
Ranjan Jain, Sudhir
2016-05-01
Figures; Preface; Acknowledgement; 1. Energy, mass, momentum; 2. Kinematics, Newton's laws of motion; 3. Circular motion; 4. The principle of least action; 5. Work and energy; 6. Mechanics of a system of particles; 7. Friction; 8. Impulse and collisions; 9. Central forces; 10. Dimensional analysis; 11. Oscillations; 12. Waves; 13. Sound of music; 14. Fluid mechanics; 15. Water waves; 16. The kinetic theory of gases; 17. Concepts and laws of thermodynamics; 18. Some applications of thermodynamics; 19. Basic ideas of statistical mechanics; Bibliography; Index.
Statistical thermodynamics of alloys
International Nuclear Information System (INIS)
Gokcen, N.A.
1986-01-01
This book presents information on the following topics: consequences of laws of thermodynamics; Helmholtz and Gibbs energies; analytical forms of excess partial molar properties; single-component and multicomponent equilibria; phase rules and diagrams; lever rule; fermions, bosons, and Boltzons; approximate equations; enthalpy and heat capacity; Pd-H system; hydrogen-metal systems; limitations of Wagner model; energy of electrons and hols; dopants in semiconductors; derived thermodynamic properties; simple equivalent circuit; calculation procedure; multicompoent diagrams re; Engel-Brewer theories; p-n junctions; and solar cells
Energy Technology Data Exchange (ETDEWEB)
Schweingruber, M
1981-11-01
The computer code MINEQL was adapted and extended to assess the solubility and speciation of radioactive waste nuclides in groundwaters under conditions which are expected to exist in the surroundings of planned underground repositories. By means of an additional data base including standard reaction enthalpies and heat capacities at 25 degrees C, the relevant equilibrium constants at 25 degrees C can be converted to other temperatures using Ulich's formulae. The activity coefficients for dissolved species are modelled with a temperature dependent function of the Davies' approximation type. The report is segmented in three main parts: (1) a review of the MINEQL fundamentals and a summary of the theory needed for the extensions; (2) an outline of the general programme structure and of criteria applied to the selection of thermodynamic data; (3) a discussion of the results from first model applications to evaluate the solubility and speciation of U, Pu, Np and Th in two Swiss groundwaters, based either on the approach of negligible chemical disturbance or on a solid/solution titration concept. All thermodynamic data involved in this study are collected in an appendix, together with a compilation of references.
Contact Geometry of Mesoscopic Thermodynamics and Dynamics
Directory of Open Access Journals (Sweden)
Miroslav Grmela
2014-03-01
Full Text Available The time evolution during which macroscopic systems reach thermodynamic equilibrium states proceeds as a continuous sequence of contact structure preserving transformations maximizing the entropy. This viewpoint of mesoscopic thermodynamics and dynamics provides a unified setting for the classical equilibrium and nonequilibrium thermodynamics, kinetic theory, and statistical mechanics. One of the illustrations presented in the paper is a new version of extended nonequilibrium thermodynamics with fluxes as extra state variables.
Thermal fluctuations in a hyperscaling-violation background
Energy Technology Data Exchange (ETDEWEB)
Pourhassan, Behnam [Damghan University, School of Physics, Damghan (Iran, Islamic Republic of); Faizal, Mir [University of British Columbia-Okanagan, Irving K. Barber School of Arts and Sciences, Kelowna, BC (Canada); University of Lethbridge, Department of Physics and Astronomy, Lethbridge, AB (Canada); Upadhyay, Sudhaker [Indian Institute of Technology Kharagpur, Centre for Theoretical Studies, Kharagpur (India); Al Asfar, Lina [Universite Blaise Pascal, Laboratoire de Physique Corpusculaire de Clermont-Ferrand, Aubiere (France)
2017-08-15
In this paper, we study the effect of thermal fluctuations on the thermodynamics of a black geometry with hyperscaling violation. These thermal fluctuations in the thermodynamics of this system are produced from quantum corrections of geometry describing this system. We discuss the stability of this system using specific heat and the entire Hessian matrix of the free energy. We will analyze the effects of thermal fluctuations on the stability of this system. We also analyze the effects of thermal fluctuations on the criticality of the hyperscaling-violation background. (orig.)
Kröner, Nico; Kotlarski, Sven; Fischer, Erich; Lüthi, Daniel; Zubler, Elias; Schär, Christoph
2017-05-01
Climate models robustly project a strong overall summer warming across Europe showing a characteristic north-south gradient with enhanced warming and drying in southern Europe. However, the processes that are responsible for this pattern are not fully understood. We here employ an extended surrogate or pseudo-warming approach to disentangle the contribution of different mechanisms to this response pattern. The basic idea of the surrogate technique is to use a regional climate model and apply a large-scale warming to the lateral boundary conditions of a present-day reference simulation, while maintaining the relative humidity (and thus implicitly increasing the specific moisture content). In comparison to previous studies, our approach includes two important extensions: first, different vertical warming profiles are applied in order to separate the effects of a mean warming from lapse-rate effects. Second, a twin-design is used, in which the climate change signals are not only added to present-day conditions, but also subtracted from a scenario experiment. We demonstrate that these extensions provide an elegant way to separate the full climate change signal into contributions from large-scale thermodynamic (TD), lapse-rate (LR), and circulation and other remaining effects (CO). The latter in particular include changes in land-ocean contrast and spatial variations of the SST warming patterns. We find that the TD effect yields a large-scale warming across Europe with no distinct latitudinal gradient. The LR effect, which is quantified for the first time in our study, leads to a stronger warming and some drying in southern Europe. It explains about 50 % of the warming amplification over the Iberian Peninsula, thus demonstrating the important role of lapse-rate changes. The effect is linked to an extending Hadley circulation. The CO effect as inherited from the driving GCM is shown to further amplify the north-south temperature change gradient. In terms of mean summer
Iribarne, J V
1973-01-01
The thermodynamics of the atmosphere is the subject of several chapters in most textbooks on dynamic meteorology, but there is no work in English to give the subject a specific and more extensive treatment. In writing the present textbook, we have tried to fill this rather remarkable gap in the literature related to atmospheric sciences. Our aim has been to provide students of meteorology with a book that can playa role similar to the textbooks on chemical thermodynamics for the chemists. This implies a previous knowledge of general thermodynamics, such as students acquire in general physics courses; therefore, although the basic principles are reviewed (in the first four chapters), they are only briefly discussed, and emphasis is laid on those topics that will be useful in later chapters, through their application to atmospheric problems. No attempt has been made to introduce the thermodynamics of irreversible processes; on the other hand, consideration of heterogeneous and open homogeneous systems permits a...
Quantum fluctuations in insulating ferroelectrics
International Nuclear Information System (INIS)
Riseborough, Peter S.
2010-01-01
Graphical abstract: It has been proposed that in a ferroelectric insulator, an applied magnetic field may couple the transverse phonon modes and produce left and right circularly polarized phonon modes which are no longer degenerate. We quantize the theory and examine the effects of quantal fluctuations. In particular, we show that the zero point fluctuations result in a large diamagnetic contribution to the magnetic susceptibility. - Abstract: It has been proposed that in a ferroelectric insulator, an applied magnetic field may couple the transverse phonon modes and produce left and right circularly polarized phonon modes which are no longer degenerate. We quantize the theory and examine the effects of quantal fluctuations. In particular, we show that the zero-point fluctuations result in a large diamagnetic contribution to the magnetic susceptibility.
Work extraction from quantum systems with bounded fluctuations in work
Richens, Jonathan G.; Masanes, Lluis
2016-11-01
In the standard framework of thermodynamics, work is a random variable whose average is bounded by the change in free energy of the system. This average work is calculated without regard for the size of its fluctuations. Here we show that for some processes, such as reversible cooling, the fluctuations in work diverge. Realistic thermal machines may be unable to cope with arbitrarily large fluctuations. Hence, it is important to understand how thermodynamic efficiency rates are modified by bounding fluctuations. We quantify the work content and work of formation of arbitrary finite dimensional quantum states when the fluctuations in work are bounded by a given amount c. By varying c we interpolate between the standard and minimum free energies. We derive fundamental trade-offs between the magnitude of work and its fluctuations. As one application of these results, we derive the corrected Carnot efficiency of a qubit heat engine with bounded fluctuations.
Sergiievskyi, Volodymyr P; Jeanmairet, Guillaume; Levesque, Maximilien; Borgis, Daniel
2014-06-05
Molecular density functional theory (MDFT) offers an efficient implicit-solvent method to estimate molecule solvation free-energies, whereas conserving a fully molecular representation of the solvent. Even within a second-order approximation for the free-energy functional, the so-called homogeneous reference fluid approximation, we show that the hydration free-energies computed for a data set of 500 organic compounds are of similar quality as those obtained from molecular dynamics free-energy perturbation simulations, with a computer cost reduced by 2-3 orders of magnitude. This requires to introduce the proper partial volume correction to transform the results from the grand canonical to the isobaric-isotherm ensemble that is pertinent to experiments. We show that this correction can be extended to 3D-RISM calculations, giving a sound theoretical justification to empirical partial molar volume corrections that have been proposed recently.
Thermodynamics of nuclear materials
International Nuclear Information System (INIS)
1962-01-01
The first session of the symposium discussed in general the thermodynamic properties of actinides, including thorium, uranium and Plutonium which provide reactor fuel. The second session was devoted to applications of thermodynamic theory to the study of nuclear materials, while the experimental techniques for the determination of thermodynamic data were examined at the next session. The thermodynamic properties of alloys were considered at a separate session, and another session was concerned with solids other than alloys. Vaporization processes, which are of special interest in the development of high-temperature reactors, were discussed at a separate session. The discussions on the methods of developing the data and ascertaining their accuracy were especially useful in highlighting the importance of determining whether any given data are reliable before they can be put to practical application. Many alloys and refractory materials (i. e. materials which evaporate only at very high temperatures) are of great importance in nuclear technology, and some of these substances are extremely complex in their chemical composition. For example, until recently the phase composition of the oxides of thorium, uranium and plutonium had been only very imperfectly understood, and the same was true of the carbides of these elements. Recent developments in experimental techniques have made it possible to investigate the phase composition of these complex materials as well as the chemical species of these materials in the gaseous phase. Recent developments in measuring techniques, such as fluorine bomb calorimetry and Knudsen effusion technique, have greatly increased the accuracy of thermodynamic data
International Nuclear Information System (INIS)
Chieux, P.; Damay, P.
1978-01-01
A quantitative comparison is made between the thermodynamics as obtained from the long wavelength limit of a small angle neutron scattering experiment in the vicinity of a liquid-liquid critical point for the Li-ND 3 system and the data obtained from vapour pressure measurements. The agreement is fair. It is shown how the comparison always implies an underlying model of the interacting species leading to the liquid-liquid phase separation. (Auth.)
Thermodynamics of de Sitter universes
International Nuclear Information System (INIS)
Huang Chaoguang; Liu Liao; Wang Bobo
2002-01-01
It is shown that the first law of thermodynamics can be applied to the de Sitter universe to relate its vacuum energy, pressure, entropy of horizon, chemical potential, etc., when the cosmological constant changes due to the fluctuation of the vacuum or other reasons. The second law should be reformulated in the form that the spontaneous decay of the vacuum never makes the entropy of the de Sitter universe decrease. The third law of thermodynamics, applying to the de Sitter universe, implies that the cosmological constant cannot reach zero by finite physical processes. The relation to the holographic principle is also briefly discussed
Nakano, Miki; Tateishi-Karimata, Hisae; Tanaka, Shigenori; Tama, Florence; Miyashita, Osamu; Nakano, Shu-ichi; Sugimoto, Naoki
2015-01-01
In conditions that mimic those of the living cell, where various biomolecules and other components are present, DNA strands can adopt many structures in addition to the canonical B-form duplex. Previous studies in the presence of cosolutes that induce molecular crowding showed that thermal stabilities of DNA structures are associated with the properties of the water molecules around the DNAs. To understand how cosolutes, such as ethylene glycol, affect the thermal stability of DNA structures, we investigated the thermodynamic properties of water molecules around a hairpin duplex and a G-quadruplex using grid inhomogeneous solvation theory (GIST) with or without cosolutes. Our analysis indicated that (i) cosolutes increased the free energy of water molecules around DNA by disrupting water–water interactions, (ii) ethylene glycol more effectively disrupted water–water interactions around Watson–Crick base pairs than those around G-quartets or non-paired bases, (iii) due to the negative electrostatic potential there was a thicker hydration shell around G-quartets than around Watson–Crick-paired bases. Our findings suggest that the thermal stability of the hydration shell around DNAs is one factor that affects the thermal stabilities of DNA structures under the crowding conditions. PMID:26538600
International Nuclear Information System (INIS)
Hu, Shenyang; Setyawan, Wahyu; Van Ginhoven, Renee M.; Jiang, Weilin; Henager, Charles H.; Kurtz, Richard J.
2014-01-01
Density functional theory (DFT) is used to calculate the thermodynamic and kinetic properties of transmutant Mg in 3C–SiC due to high-energy neutron irradiation associated with the fusion nuclear environment. The formation and binding energies of intrinsic defects, Mg-related defects, and clusters in 3C–SiC are systematically calculated. The minimum energy paths and activation energies during point defect migration and small cluster evolution are studied using a generalized solid-state nudged elastic band (G-SSNEB) method with DFT energy calculations. Stable defect structures and possible defect migration mechanisms are identified. The evolution of binding energies during Mg 2 Si formation demonstrates that the formation of Mg 2 Si needs to overcome a critical nucleus size and nucleation barrier. It is found that C vacancies promote the formation of the Mg 2 Si nucleus, and formation of which results in a compressive stress field around the nucleus. These data are important inputs in meso- and macro-scale modeling and experiments to understand and predict the impact of Mg on phase stability, microstructure evolution, and performance of SiC and SiC-based materials during long-term neutron exposures
Ren, Hai-Sheng; Ming, Mei-Jun; Ma, Jian-Yi; Li, Xiang-Yuan
2013-08-22
Within the framework of constrained density functional theory (CDFT), the diabatic or charge localized states of electron transfer (ET) have been constructed. Based on the diabatic states, inner reorganization energy λin has been directly calculated. For solvent reorganization energy λs, a novel and reasonable nonequilibrium solvation model is established by introducing a constrained equilibrium manipulation, and a new expression of λs has been formulated. It is found that λs is actually the cost of maintaining the residual polarization, which equilibrates with the extra electric field. On the basis of diabatic states constructed by CDFT, a numerical algorithm using the new formulations with the dielectric polarizable continuum model (D-PCM) has been implemented. As typical test cases, self-exchange ET reactions between tetracyanoethylene (TCNE) and tetrathiafulvalene (TTF) and their corresponding ionic radicals in acetonitrile are investigated. The calculated reorganization energies λ are 7293 cm(-1) for TCNE/TCNE(-) and 5939 cm(-1) for TTF/TTF(+) reactions, agreeing well with available experimental results of 7250 cm(-1) and 5810 cm(-1), respectively.
Liu, Min Hsien; Chen, Cheng; Hong, Yaw Shun
2005-02-08
A three-parametric modification equation and the least-squares approach are adopted to calibrating hybrid density-functional theory energies of C(1)-C(10) straight-chain aldehydes, alcohols, and alkoxides to accurate enthalpies of formation DeltaH(f) and Gibbs free energies of formation DeltaG(f), respectively. All calculated energies of the C-H-O composite compounds were obtained based on B3LYP6-311++G(3df,2pd) single-point energies and the related thermal corrections of B3LYP6-31G(d,p) optimized geometries. This investigation revealed that all compounds had 0.05% average absolute relative error (ARE) for the atomization energies, with mean value of absolute error (MAE) of just 2.1 kJ/mol (0.5 kcal/mol) for the DeltaH(f) and 2.4 kJ/mol (0.6 kcal/mol) for the DeltaG(f) of formation.
Schoen, Martin; Haslam, Andrew J; Jackson, George
2017-10-24
The phase behavior and structure of a simple square-well bulk fluid with anisotropic interactions is described in detail. The orientation dependence of the intermolecular interactions allows for the formation of a nematic liquid-crystalline phase in addition to the more conventional isotropic gas and liquid phases. A version of classical density functional theory (DFT) is employed to determine the properties of the model, and comparisons are made with the corresponding data from Monte Carlo (MC) computer simulations in both the grand canonical and canonical ensembles, providing a benchmark to assess the adequacy of the DFT results. A novel element of the DFT approach is the assumption that the structure of the fluid is dominated by intermolecular interactions in the isotropic fluid. A so-called augmented modified mean-field (AMMF) approximation is employed accounting for the influence of anisotropic interactions. The AMMF approximation becomes exact in the limit of vanishing density. We discuss advantages and disadvantages of the AMMF approximation with respect to an accurate description of isotropic and nematic branches of the phase diagram, the degree of orientational order, and orientation-dependent pair correlations. The performance of the AMMF approximations is found to be good in comparison with the MC data; the AMMF approximation has clear advantages with respect to an accurate and more detailed description of the fluid structure. Possible strategies to improve the DFT are discussed.
Thermodynamics of pairing phase transition in nuclei
International Nuclear Information System (INIS)
Karim, Afaque; Ahmad, Shakeb
2014-01-01
The pairing gaps, pairing energy, heat capacity and entropy are calculated within BCS (Bardeen- Cooper-Schrieffer) based quasi particle approach, including thermal fluctuations on pairing field within pairing model for all nuclei (light, medium, heavy and super heavy nuclei). Quasi particles approach in BCS theory was introduced and reformulated to study various properties. For thermodynamic behavior of nuclei at finite temperatures, the anomalous averages of creation and annihilation operators are introduced. It is solved self consistently at finite temperatures to obtain BCS Hamiltonian. After doing unitary transformation, we obtained the Hamiltonian in the diagonal form. Thus, one gets temperature dependence gap parameter and pairing energy for nuclei. Moreover, the energy at finite temperatures is the sum of the condensation energy and the thermal energy of fermionic quasi particles. With the help of BCS Hamiltonian, specific heat, entropy and free energy are calculated for different nuclei. In this paper the gap parameter occupation number and pairing energy as a function of temperature which is important for all the light, medium, heavy and super heavy nuclei is calculated. Moreover, the various thermo dynamical quantities like specific heat, entropy and free energy is also obtained for different nuclei. Thus, the thermodynamics of pairing phase transition in nuclei is studied
Role of fluctuations in the phase transitions of coupled plaquette spin models of glasses
Directory of Open Access Journals (Sweden)
Giulio Biroli, Charlotte Rulquin, Gilles Tarjus, Marco Tarzia
2016-10-01
Full Text Available We study the role of fluctuations on the thermodynamic glassy properties of plaquette spin models, more specifically on the transition involving an overlap order parameter in the presence of an attractive coupling between different replicas of the system. We consider both short-range fluctuations associated with the local environment on Bethe lattices and long-range fluctuations that distinguish Euclidean from Bethe lattices with the same local environment. We find that the phase diagram in the temperature-coupling plane is very sensitive to the former but, at least for the $3$-dimensional (square pyramid model, appears qualitatively or semi-quantitatively unchanged by the latter. This surprising result suggests that the mean-field theory of glasses provides a reasonable account of the glassy thermodynamics of models otherwise described in terms of the kinetically constrained motion of localized defects and taken as a paradigm for the theory of dynamic facilitation. We discuss the possible implications for the dynamical behavior.
Directory of Open Access Journals (Sweden)
Robitaille P.-M.
2011-07-01
Full Text Available In this work, the development of solar theory is followed from the concept that the Sun was an ethereal nuclear body with a partially condensed photosphere to the creation of a fully gaseous object. An overview will be presented of the liquid Sun. A powerful lineage has brought us the gaseous Sun and two of its main authors were the direct sci- entific descendants of Gustav Robert Kirchhoff: Franz Arthur Friedrich Schuster and Arthur Stanley Eddington. It will be discovered that the seminal ideas of Father Secchi and Herv ́ e Faye were not abandoned by astronomy until the beginning of 20th century. The central role of carbon in early solar physics will also be highlighted by revisit- ing George Johnstone Stoney. The evolution of the gaseous models will be outlined, along with the contributions of Johann Karl Friedrich Z ̈ ollner, James Clerk Maxwell, Jonathan Homer Lane, August Ritter, William Thomson, William Huggins, William Edward Wilson, George Francis FitzGerald, Jacob Robert Emden, Frank Washington Very, Karl Schwarzschild, and Edward Arthur Milne. Finally, with the aid of Edward Arthur Milne, the work of James Hopwood Jeans, the last modern advocate of a liquid Sun, will be rediscovered. Jeans was a staunch advocate of the condensed phase, but deprived of a proper building block, he would eventually abandon his non-gaseous stars. For his part, Subrahmanyan Chandrasekhar would spend nine years of his life studying homogeneous liquid masses. These were precisely the kind of objects which Jeans had considered for his liquid stars.
Energy Technology Data Exchange (ETDEWEB)
Duan, Yuhua; Parlinski, K.
2011-01-01
The structural, electronic, lattice dynamical, optical, thermodynamic, and CO{sub 2} capture properties of monoclinic and triclinic phases of Li{sub 4}SiO{sub 4} are investigated by combining density functional theory with phonon lattice dynamics calculations. We found that these two phases have some similarities in their bulk and thermodynamic properties. The calculated bulk modulus and the cohesive energies of these two phases are close to each other. Although both of them are insulators, the monoclinic phase of Li{sub 4}SiO{sub 4} has a direct band gap of 5.24 eV while the triclinic Li{sub 4}SiO{sub 4} phase has an indirect band gap of 4.98 eV. In both phases of Li{sub 4}SiO{sub 4}, the s orbital of O mainly contributes to the lower-energy second valence band (VB{sub 2}) and the p orbitals contribute to the fist valence band (VB{sub 1}) and the conduction bands (CBs). The s orbital of Si mainly contributes to the lower portions of the VB1 and VB{sub 2}, and Si p orbitals mainly contribute to the higher portions of the VB{sub 1} and VB{sub 2}. The s and p orbitals of Li contribute to both VBs and to CBs, and Li p orbitals have a higher contribution than the Li s orbital. There is possibly a phonon soft mode existing in triclinic {gamma}-Li{sub 4}SiO{sub 4}; in the monoclinic Li{sub 4}SiO{sub 4}, there are three phonon soft modes, which correspond to the one type of Li disordered over a few sites. Their LO-TO splitting indicates that both phases of Li{sub 4}SiO{sub 4} are polar anisotropic materials. The calculated infrared absorption spectra for LO and TO modes are different for these two phases of Li{sub 4}SiO{sub 4}. The calculated relationships of the chemical potential versus temperature and CO{sub 2} pressure for reaction of Li{sub 4}SiO{sub 4} with CO{sub 2} shows that Li{sub 4}SiO{sub 4} could be a good candidate for a high-temperature CO{sub 2} sorbent while used for postcombustion capture technology.
Origin of fluctuations in atmospheric pressure arc plasma devices
International Nuclear Information System (INIS)
Ghorui, S.; Das, A.K.
2004-01-01
Fluctuations in arc plasma devices are extremely important for any technological application in thermal plasma. The origin of such fluctuations remains unexplained. This paper presents a theory for observed fluctuations in atmospheric pressure arc plasma devices. A qualitative explanation for observed behavior on atmospheric pressure arc plasma fluctuations, reported in the literature, can be obtained from the theory. The potential of the theory is demonstrated through comparison of theoretical predictions with reported experimental observations
Thermodynamic origin of nonimaging optics
Jiang, Lun; Winston, Roland
2016-10-01
Nonimaging 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 the designs of thermal and even photovoltaic systems. This 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. Much of the paper is pedagogical and retrospective. Some of the development of flowline designs will be introduced at the end and the connection between the thermodynamics and flowline design will be graphically presented. We will conclude with some speculative directions of where the ideas might lead.
Statistical Thermodynamics of Disperse Systems
DEFF Research Database (Denmark)
Shapiro, Alexander
1996-01-01
Principles of statistical physics are applied for the description of thermodynamic equilibrium in disperse systems. The cells of disperse systems are shown to possess a number of non-standard thermodynamic parameters. A random distribution of these parameters in the system is determined....... On the basis of this distribution, it is established that the disperse system has an additional degree of freedom called the macro-entropy. A large set of bounded ideal disperse systems allows exact evaluation of thermodynamic characteristics. The theory developed is applied to the description of equilibrium...
Quark-number susceptibility, thermodynamic sum rule, and the hard thermal loop approximation
International Nuclear Information System (INIS)
Chakraborty, Purnendu; Mustafa, Munshi G.; Thoma, Markus H.
2003-01-01
The quark number susceptibility, associated with the conserved quark number density, is closely related to the baryon and charge fluctuations in the quark-gluon plasma, which might serve as signature for the quark-gluon plasma formation in ultrarelativistic heavy-ion collisions. In addition to QCD lattice simulations, the quark number susceptibility has been calculated recently using a resummed perturbation theory (hard thermal loop resummation). In the present work we show, based on general arguments, that the computation of this quantity neglecting hard thermal loop vertices contradicts the Ward identity and violates the thermodynamic sum rule following from quark number conservation. We further show that the hard thermal loop perturbation theory is consistent with the thermodynamic sum rule
One-parameter Darboux transformations in thermodynamics
International Nuclear Information System (INIS)
Rosu, Haret C.
2002-01-01
The quantum oscillator thermodynamic actions are the conjugate intensive parameters for the frequency in any frequency changing process. These oscillator actions fulfill simple Riccati equations. Interesting Darboux transformations of the fundamental Planck and pure vacuum actions are discussed here in some detail. It is shown that the one-parameter 'Darboux-Transformed-Thermodynamics' refers to superpositions of boson and fermion excitations of positive and negative absolute temperature, respectively. A Darboux generalization of the fluctuation-dissipation theorem is also briefly sketched
[Thermodynamics of the origin of life, evolution and aging].
Gladyshev, G P
2014-01-01
Briefly discusses the history of the search of thermodynamic approach to explain the origin of life, evolution and aging of living beings. The origin of life is the result of requirement by the quasi-equilibrium hierarchical thermodynamics, in particular, the supramolecular thermodynamics. The evolution and aging of living beings is accompanied with changes of chemical and supramolecular compositions of living bodies, as well as with changes in the composition and structure of all hierarchies of the living world. The thermodynamic principle of substance stability predicts the existence of a single genetic code in our universe. The thermodynamic theory optimizes physiology and medicine and recommends antiaging diets and medicines. Hierarchical thermodynamics forms the design diversity of culture and art. The thermodynamic theory of origin of life, evolution and aging is the development of Clausius-Gibbs thermodynamics. Hierarchical thermodynamics is the mirror of Darwin-Wallace's-theory.
Black hole thermodynamical entropy
International Nuclear Information System (INIS)
Tsallis, Constantino; Cirto, Leonardo J.L.
2013-01-01
As early as 1902, Gibbs pointed out that systems whose partition function diverges, e.g. gravitation, lie outside the validity of the Boltzmann-Gibbs (BG) theory. Consistently, since the pioneering Bekenstein-Hawking results, physically meaningful evidence (e.g., the holographic principle) has accumulated that the BG entropy S BG of a (3+1) black hole is proportional to its area L 2 (L being a characteristic linear length), and not to its volume L 3 . Similarly it exists the area law, so named because, for a wide class of strongly quantum-entangled d-dimensional systems, S BG is proportional to lnL if d=1, and to L d-1 if d>1, instead of being proportional to L d (d ≥ 1). These results violate the extensivity of the thermodynamical entropy of a d-dimensional system. This thermodynamical inconsistency disappears if we realize that the thermodynamical entropy of such nonstandard systems is not to be identified with the BG additive entropy but with appropriately generalized nonadditive entropies. Indeed, the celebrated usefulness of the BG entropy is founded on hypothesis such as relatively weak probabilistic correlations (and their connections to ergodicity, which by no means can be assumed as a general rule of nature). Here we introduce a generalized entropy which, for the Schwarzschild black hole and the area law, can solve the thermodynamic puzzle. (orig.)
Statistical thermodynamics of nonequilibrium processes
Keizer, Joel
1987-01-01
The structure of the theory ofthermodynamics has changed enormously since its inception in the middle of the nineteenth century. Shortly after Thomson and Clausius enunciated their versions of the Second Law, Clausius, Maxwell, and Boltzmann began actively pursuing the molecular basis of thermo dynamics, work that culminated in the Boltzmann equation and the theory of transport processes in dilute gases. Much later, Onsager undertook the elucidation of the symmetry oftransport coefficients and, thereby, established himself as the father of the theory of nonequilibrium thermodynamics. Com bining the statistical ideas of Gibbs and Langevin with the phenomenological transport equations, Onsager and others went on to develop a consistent statistical theory of irreversible processes. The power of that theory is in its ability to relate measurable quantities, such as transport coefficients and thermodynamic derivatives, to the results of experimental measurements. As powerful as that theory is, it is linear and...
Principle of minimal work fluctuations.
Xiao, Gaoyang; Gong, Jiangbin
2015-08-01
Understanding and manipulating work fluctuations in microscale and nanoscale systems are of both fundamental and practical interest. For example, in considering the Jarzynski equality 〈e-βW〉=e-βΔF, a change in the fluctuations of e-βW may impact how rapidly the statistical average of e-βW converges towards the theoretical value e-βΔF, where W is the work, β is the inverse temperature, and ΔF is the free energy difference between two equilibrium states. Motivated by our previous study aiming at the suppression of work fluctuations, here we obtain a principle of minimal work fluctuations. In brief, adiabatic processes as treated in quantum and classical adiabatic theorems yield the minimal fluctuations in e-βW. In the quantum domain, if a system initially prepared at thermal equilibrium is subjected to a work protocol but isolated from a bath during the time evolution, then a quantum adiabatic process without energy level crossing (or an assisted adiabatic process reaching the same final states as in a conventional adiabatic process) yields the minimal fluctuations in e-βW, where W is the quantum work defined by two energy measurements at the beginning and at the end of the process. In the classical domain where the classical work protocol is realizable by an adiabatic process, then the classical adiabatic process also yields the minimal fluctuations in e-βW. Numerical experiments based on a Landau-Zener process confirm our theory in the quantum domain, and our theory in the classical domain explains our previous numerical findings regarding the suppression of classical work fluctuations [G. Y. Xiao and J. B. Gong, Phys. Rev. E 90, 052132 (2014)].
Poshiwa, X.; Groeneveld, R.A.; Heitkonig, I.M.A.; Prins, H.H.T.; Ierland, van E.C.
2013-01-01
Annual rural incomes in Southern Africa show large rainfall-induced fluctuations. Variable rainfall has serious implications for agro-pastoral activities (crop cultivation and livestock keeping), whereas wildlife and tourism are less affected. The aim of this paper is to investigate the role of
Ben-Naim, Arieh
1987-01-01
This book deals with a subject that has been studied since the beginning of physical chemistry. Despite the thousands of articles and scores of books devoted to solvation thermodynamics, I feel that some fundamen tal and well-established concepts underlying the traditional approach to this subject are not satisfactory and need revision. The main reason for this need is that solvation thermodynamics has traditionally been treated in the context of classical (macroscopic) ther modynamics alone. However, solvation is inherently a molecular pro cess, dependent upon local rather than macroscopic properties of the system. Therefore, the starting point should be based on statistical mechanical methods. For many years it has been believed that certain thermodynamic quantities, such as the standard free energy (or enthalpy or entropy) of solution, may be used as measures of the corresponding functions of solvation of a given solute in a given solvent. I first challenged this notion in a paper published in 1978 b...
International Nuclear Information System (INIS)
Casati, G.; Chirikov, B.V.
1996-01-01
Various fluctuations in quantum systems with discrete spectrum are discussed, including recent unpublished results. Open questions and unexplained peculiarities of quantum fluctuations are formulated [ru
Nuclear thermodynamics below particle threshold
International Nuclear Information System (INIS)
Schiller, A.; Agvaanluvsan, U.; Algin, E.; Bagheri, A.; Chankova, R.; Guttormsen, M.; Hjorth-Jensen, M.; Rekstad, J.; Siem, S.; Sunde, A. C.; Voinov, A.
2005-01-01
From a starting point of experimentally measured nuclear level densities, we discuss thermodynamical properties of nuclei below the particle emission threshold. Since nuclei are essentially mesoscopic systems, a straightforward generalization of macroscopic ensemble theory often yields unphysical results. A careful critique of traditional thermodynamical concepts reveals problems commonly encountered in mesoscopic systems. One of which is the fact that microcanonical and canonical ensemble theory yield different results, another concerns the introduction of temperature for small, closed systems. Finally, the concept of phase transitions is investigated for mesoscopic systems
Quantum thermodynamics of nanoscale steady states far from equilibrium
Taniguchi, Nobuhiko
2018-04-01
We develop an exact quantum thermodynamic description for a noninteracting nanoscale steady state that couples strongly with multiple reservoirs. We demonstrate that there exists a steady-state extension of the thermodynamic function that correctly accounts for the multiterminal Landauer-Büttiker formula of quantum transport of charge, energy, or heat via the nonequilibrium thermodynamic relations. Its explicit form is obtained for a single bosonic or fermionic level in the wide-band limit, and corresponding thermodynamic forces (affinities) are identified. Nonlinear generalization of the Onsager reciprocity relations are derived. We suggest that the steady-state thermodynamic function is also capable of characterizing the heat current fluctuations of the critical transport where the thermal fluctuations dominate. Also, the suggested nonequilibrium steady-state thermodynamic relations seemingly persist for a spin-degenerate single level with local interaction.
Quantum thermodynamics: a nonequilibrium Green's function approach.
Esposito, Massimiliano; Ochoa, Maicol A; Galperin, Michael
2015-02-27
We establish the foundations of a nonequilibrium theory of quantum thermodynamics for noninteracting open quantum systems strongly coupled to their reservoirs within the framework of the nonequilibrium Green's functions. The energy of the system and its coupling to the reservoirs are controlled by a slow external time-dependent force treated to first order beyond the quasistatic limit. We derive the four basic laws of thermodynamics and characterize reversible transformations. Stochastic thermodynamics is recovered in the weak coupling limit.
Energy Technology Data Exchange (ETDEWEB)
Yuan, Ke, E-mail: keyuan@umich.edu [Department of Earth and Environmental Sciences, University of Michigan, Ann Arbor, MI 48109 (United States); Ewing, Rodney C. [Department of Earth and Environmental Sciences, University of Michigan, Ann Arbor, MI 48109 (United States); Department of Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor, MI 48109 (United States); Department of Materials Science and Engineering, University of Michigan, Ann Arbor, MI 48109 (United States); Becker, Udo [Department of Earth and Environmental Sciences, University of Michigan, Ann Arbor, MI 48109 (United States)
2015-03-15
HfO{sub 2} is a neutron absorber and has been mechanically mixed with UO{sub 2} in nuclear fuel in order to control the core power distribution. During nuclear fission, the temperature at the center of the fuel pellet can reach above 1300 K, where hafnium may substitute uranium and form the binary solid solution of UO{sub 2}–HfO{sub 2}. UO{sub 2} adopts the cubic fluorite structure, but HfO{sub 2} can occur in monoclinic, tetragonal, and cubic structures. The distribution of Hf and U ions in the UO{sub 2}–HfO{sub 2} binary and its atomic structure influence the thermal conductivity and melting point of the fuel. However, experimental data on the UO{sub 2}–HfO{sub 2} binary are limited. Therefore, the enthalpies of mixing of the UO{sub 2}–HfO{sub 2} binary with three different structures were calculated in this study using density functional theory and subsequent Monte Carlo simulations. The free energy of mixing was obtained from thermodynamic integration of the enthalpy of mixing over temperature. From the ΔG of mixing, a phase diagram of the binary was obtained. The calculated UO{sub 2}–HfO{sub 2} binary forms extensive solid solution across the entire compositional range, but there are a variety of possible exsolution phenomena associated with the different HfO{sub 2} polymorphs. As the structure of the HfO{sub 2} end member adopts lower symmetry and becomes less similar to cubic UO{sub 2}, the miscibility gap of the phase diagram expands, accompanied by an increase in cell volume by 7–10% as the structure transforms from cubic to monoclinic. Close to the UO{sub 2} end member, which is relevant to the nuclear fuel, the isometric uranium-rich solid solutions exsolve as the fuel cools, and there is a tendency to form the monoclinic hafnium-rich phase in the matrix of the isometric, uranium-rich solid solution phase.
Thermodynamics of Error Correction
Directory of Open Access Journals (Sweden)
Pablo Sartori
2015-12-01
Full Text Available Information processing at the molecular scale is limited by thermal fluctuations. This can cause undesired consequences in copying information since thermal noise can lead to errors that can compromise the functionality of the copy. For example, a high error rate during DNA duplication can lead to cell death. Given the importance of accurate copying at the molecular scale, it is fundamental to understand its thermodynamic features. In this paper, we derive a universal expression for the copy error as a function of entropy production and work dissipated by the system during wrong incorporations. Its derivation is based on the second law of thermodynamics; hence, its validity is independent of the details of the molecular machinery, be it any polymerase or artificial copying device. Using this expression, we find that information can be copied in three different regimes. In two of them, work is dissipated to either increase or decrease the error. In the third regime, the protocol extracts work while correcting errors, reminiscent of a Maxwell demon. As a case study, we apply our framework to study a copy protocol assisted by kinetic proofreading, and show that it can operate in any of these three regimes. We finally show that, for any effective proofreading scheme, error reduction is limited by the chemical driving of the proofreading reaction.
Generation of thermodynamic data for organic liquid mixtures from molecular simulations
DEFF Research Database (Denmark)
Christensen, Steen; Peters, Günther H.j.; Hansen, Flemming Yssing
2007-01-01
Fluctuation solution theory (FST) is employed to analyze results of molecular dynamics (MD) simulations of liquid mixtures. The objective is to generate parameters for macroscopic thermodynamic property models. Two benchmark systems, benzene-methyl acetate at 303.15 K and benzene-ethanol at 298.......15 K, are used. MD simulations are performed in the isobaric-isothermal ensemble (NPT) at the respective temperatures and at a pressure of 1 atm. We use the CHARMM27 force field at different mixing ratios. We sample positions to determine the binary (between the centers-of-mass of molecules of a pair...
Entropic Repulsion Between Fluctuating Surfaces
Janke, W.
The statistical mechanics of fluctuating surfaces plays an important role in a variety of physical systems, ranging from biological membranes to world sheets of strings in theories of fundamental interactions. In many applications it is a good approximation to assume that the surfaces possess no tension. Their statistical properties are then governed by curvature energies only, which allow for gigantic out-of-plane undulations. These fluctuations are the “entropic” origin of long-range repulsive forces in layered surface systems. Theoretical estimates of these forces for simple model surfaces are surveyed and compared with recent Monte Carlo simulations.
Statistical thermodynamics of clustered populations.
Matsoukas, Themis
2014-08-01
We present a thermodynamic theory for a generic population of M individuals distributed into N groups (clusters). We construct the ensemble of all distributions with fixed M and N, introduce a selection functional that embodies the physics that governs the population, and obtain the distribution that emerges in the scaling limit as the most probable among all distributions consistent with the given physics. We develop the thermodynamics of the ensemble and establish a rigorous mapping to regular thermodynamics. We treat the emergence of a so-called giant component as a formal phase transition and show that the criteria for its emergence are entirely analogous to the equilibrium conditions in molecular systems. We demonstrate the theory by an analytic model and confirm the predictions by Monte Carlo simulation.
The thermodynamic-buffer enzymes.
Stucki, J W
1980-08-01
Oxidative phosphorylation operates at optimal efficiency if and only if the condition of conductance matching L33/L11 = square root 1-q2 is fulfilled. In this relation L11 is the phenomenological conductance of phosphorylation, L33 the phenomenological conductance of the load, i.e. the irreversible ATP-utilizing processes in the cell, and q the degree of coupling of oxidative phosphorylation driven by respiration. Since during short time intervals L11 and q are constant whereas L33 fluctuates in the cell, oxidative phosphorylation would only rarely operate at optimal efficiency due to violation of conductance matching. This paper demonstrates that the reversible ATP-utilizing reaction catalyzed by adenylate kinase can effectively compensate deviations from conductance matching in the presence of a fluctuating L33 and hence allows oxidative phosphorylation to operate at optimal efficiency in the cell. Since the adenylate kinase reaction was found to buffer a thermodynamic potential, i.e. the phosphate potential, this finding was generalized to the concept of thermodynamic buffering. The thermodynamic buffering ability of the adenylate kinase reaction was demonstrated by experiments with incubated rat-liver mitochondria. Considerations of changes introduced in the entropy production by the adenylate kinase reaction allowed to establish the theoretical framework for thermodynamic buffering. The ability of thermodynamic buffering to compensate deviations from conductance matching in the presence of fluctuating loads was demonstrated by computer simulations. The possibility of other reversible ATP-utilizing reactions, like the ones catalyzed by creatine kinase and arginine kinase, to contribute to thermodynamic buffering is discussed. Finally, the comparison of the theoretically calculated steady-stae cytosolic adenine nucleotide concentrations with experimental data from perfused livers demonstrated that in livers from fed rats conductance matching is fulfilled on a
Thermodynamics Far from the Thermodynamic Limit.
de Miguel, Rodrigo; Rubí, J Miguel
2017-11-16
Understanding how small systems exchange energy with a heat bath is important to describe how their unique properties can be affected by the environment. In this contribution, we apply Landsberg's theory of temperature-dependent energy levels to describe the progressive thermalization of small systems as their spectrum is perturbed by a heat bath. We propose a mechanism whereby the small system undergoes a discrete series of excitations and isentropic spectrum adjustments leading to a final state of thermal equilibrium. This produces standard thermodynamic results without invoking system size. The thermal relaxation of a single harmonic oscillator is analyzed as a model example of a system with a quantized spectrum than can be embedded in a thermal environment. A description of how the thermal environment affects the spectrum of a small system can be the first step in using environmental factors, such as temperature, as parameters in the design and operation of nanosystem properties.
Interfacial solvation thermodynamics
International Nuclear Information System (INIS)
Ben-Amotz, Dor
2016-01-01
Previous studies have reached conflicting conclusions regarding the interplay of cavity formation, polarizability, desolvation, and surface capillary waves in driving the interfacial adsorptions of ions and molecules at air–water interfaces. Here we revisit these questions by combining exact potential distribution results with linear response theory and other physically motivated approximations. The results highlight both exact and approximate compensation relations pertaining to direct (solute–solvent) and indirect (solvent–solvent) contributions to adsorption thermodynamics, of relevance to solvation at air–water interfaces, as well as a broader class of processes linked to the mean force potential between ions, molecules, nanoparticles, proteins, and biological assemblies. (paper)
Kaufman, Myron
2002-01-01
Ideal for one- or two-semester courses that assume elementary knowledge of calculus, This text presents the fundamental concepts of thermodynamics and applies these to problems dealing with properties of materials, phase transformations, chemical reactions, solutions and surfaces. The author utilizes principles of statistical mechanics to illustrate key concepts from a microscopic perspective, as well as develop equations of kinetic theory. The book provides end-of-chapter question and problem sets, some using Mathcad™ and Mathematica™; a useful glossary containing important symbols, definitions, and units; and appendices covering multivariable calculus and valuable numerical methods.
Quantum corrections to thermodynamics of quasitopological black holes
Directory of Open Access Journals (Sweden)
Sudhaker Upadhyay
2017-12-01
Full Text Available Based on the modification to area-law due to thermal fluctuation at small horizon radius, we investigate the thermodynamics of charged quasitopological and charged rotating quasitopological black holes. In particular, we derive the leading-order corrections to the Gibbs free energy, charge and total mass densities. In order to analyze the behavior of the thermal fluctuations on the thermodynamics of small black holes, we draw a comparative analysis between the first-order corrected and original thermodynamical quantities. We also examine the stability and bound points of such black holes under effect of leading-order corrections.
Thermodynamic evolution far from equilibrium
Khantuleva, Tatiana A.
2018-05-01
The presented model of thermodynamic evolution of an open system far from equilibrium is based on the modern results of nonequilibrium statistical mechanics, the nonlocal theory of nonequilibrium transport developed by the author and the Speed Gradient principle introduced in the theory of adaptive control. Transition to a description of the system internal structure evolution at the mesoscopic level allows a new insight at the stability problem of non-equilibrium processes. The new model is used in a number of specific tasks.
Thermalization vs. isotropization and azimuthal fluctuations
International Nuclear Information System (INIS)
Mrowczynski, Stanislaw
2005-01-01
Hydrodynamic description requires a local thermodynamic equilibrium of the system under study but an approximate hydrodynamic behaviour is already manifested when a momentum distribution of liquid components is not of equilibrium form but merely isotropic. While the process of equilibration is relatively slow, the parton system becomes isotropic rather fast due to the plasma instabilities. Azimuthal fluctuations observed in relativistic heavy-ion collisions are argued to distinguish between a fully equilibrated and only isotropic parton system produced in the collision early stage
Thermodynamic study of selected monoterpenes III
International Nuclear Information System (INIS)
Štejfa, Vojtěch; Fulem, Michal; Růžička, Květoslav; Červinka, Ctirad
2014-01-01
Highlights: • (−)-trans-Pinane, (+)-Δ-carene, eucalyptol, and limonene were studied. • New thermodynamic data were measured and calculated. • Many of thermodynamic data are reported for the first time. - Abstract: A thermodynamic study of selected monoterpenes, (−)-trans-pinane, (+)-Δ-carene, eucalyptol, (+)-limonene, and (−)-limonene, is presented in this work. The vapor pressure measurements were performed using the static method over the environmentally important temperature range (238 to 308) K. Liquid heat capacities were measured by Tian–Calvet calorimetry in the temperature interval (258 to 355) K. The phase behavior was investigated by differential scanning calorimetry (DSC) from T = 183 K. The thermodynamic properties in the ideal-gas state were calculated by combining statistical thermodynamic and density functional theory (DFT) calculations. Calculated ideal-gas heat capacities and experimental data for vapor pressures and condensed phase heat capacities were treated simultaneously to obtain a consistent thermodynamic description
Directory of Open Access Journals (Sweden)
G. TULLIO
2014-03-01
Full Text Available The present work provides a theoretical framework of reference in order to interpret the fluctuations in Italy’s balance of payments in the post-war period. Such a framework can help to explain the flows of international reserves, even under flexible exchange rates, and may easily be adapted to the analysis of the exchange rate itself. The author first develops a "medium to long term" theoretical model for a "small country", before deriving the equation for the balance of payments to be estimated with annual data. The results of the empirical estimates, which cover the period 1051-1973, are then presented. JEL: E42, F21, F32
Optima and bounds for irreversible thermodynamic processes
International Nuclear Information System (INIS)
Hoffmann, K.H.
1990-01-01
In this paper bounds and optima for irreversible thermodynamic processes and their application in different fields are discussed. The tools of finite time thermodynamics are presented and especially optimal control theory is introduced. These methods are applied to heat engines, including models of the Diesel engine and a light-driven engine. Further bounds for irreversible processes are introduced, discussing work deficiency and its relation to thermodynamic length. Moreover the problem of dissipation in systems composed of several subsystems is studied. Finally, the methods of finite time thermodynamics are applied to thermodynamic processes described on a more microscopic level. The process used as an example is simulated annealing. It is shown how optimal control theory is applied to find the optimal cooling schedule for this important stochastic optimization method
Sabelli, H C; Carlson-Sabelli, L; Javaid, J I
1990-11-01
Two models dominate current formulations of bipolar illness: the homeostatic model implicit in Freud's psychodynamics and most neuroamine deficit/excess theories; and the oscillatory model of exaggerated biological rhythms. The homeostatic model is based on the closed systems approach of classic thermodynamics, while the oscillatory model requires the open systems approach of modern thermodynamics. Here we present a thermodynamic model of bipolarity that includes both homeostatic and oscillatory features and adds the most important feature of open systems thermodynamics: the creation of novel structures in bifurcation processes. According to the proposed model, bipolarity is the result of exaggerated biological energy that augments homeostatic, oscillatory and creative psychological processes. Only low-energy closed systems tend to rest ("point attractor") and entropic disorder. Open processes containing and exchanging energy fluctuate between opposite states ("periodic attractors"); they are characteristic of most physiological rhythms and are exaggerated in bipolar subjects. At higher energies, their strong fluctuations destroy pre-existing patterns and structures, produce turbulence ("chaotic attractors"), which sudden switches between opposite states, and create new and more complex structures. Likewise, high-energy bipolars develop high spontaneity, great fluctuations between opposite moods, internal and interpersonal chaos, and enhanced creativity (personal, artistic, professional) as well as psychopathology (personality deviations, psychotic delusions). Offered here is a theoretical explanation of the dual--creative and destructive--nature of bipolarity in terms of the new enantiodromic concept of entropy generalized by process theory. Clinically, this article offers an integrative model of bipolarity that accounts for many clinical features and contributes to a definition of the bipolar personality.
Applied statistical thermodynamics
Lucas, Klaus
1991-01-01
The book guides the reader from the foundations of statisti- cal thermodynamics including the theory of intermolecular forces to modern computer-aided applications in chemical en- gineering and physical chemistry. The approach is new. The foundations of quantum and statistical mechanics are presen- ted in a simple way and their applications to the prediction of fluid phase behavior of real systems are demonstrated. A particular effort is made to introduce the reader to expli- cit formulations of intermolecular interaction models and to show how these models influence the properties of fluid sy- stems. The established methods of statistical mechanics - computer simulation, perturbation theory, and numerical in- tegration - are discussed in a style appropriate for newcom- ers and are extensively applied. Numerous worked examples illustrate how practical calculations should be carried out.
Concentration fluctuations in miscible polymer blends: Influence of temperature and chain rigidity
International Nuclear Information System (INIS)
Dudowicz, Jacek; Freed, Karl F.; Douglas, Jack F.
2014-01-01
In contrast to binary mixtures of small molecule fluids, homogeneous polymer blends exhibit relatively large concentration fluctuations that can strongly affect the transport properties of these complex fluids over wide ranges of temperatures and compositions. The spatial scale and intensity of these compositional fluctuations are studied by applying Kirkwood-Buff theory to model blends of linear semiflexible polymer chains with upper critical solution temperatures. The requisite quantities for determining the Kirkwood-Buff integrals are generated from the lattice cluster theory for the thermodynamics of the blend and from the generalization of the random phase approximation to compressible polymer mixtures. We explore how the scale and intensity of composition fluctuations in binary blends vary with the reduced temperature τ ≡ (T − T c )/T (where T c is the critical temperature) and with the asymmetry in the rigidities of the components. Knowledge of these variations is crucial for understanding the dynamics of materials fabricated from polymer blends, and evidence supporting these expectations is briefly discussed
Thermodynamics of Radiation Modes
Pina, Eduardo; de la Selva, Sara Maria Teresa
2010-01-01
We study the equilibrium thermodynamics of the electromagnetic radiation in a cavity of a given volume and temperature. We found three levels of description, the thermodynamics of one mode, the thermodynamics of the distribution of frequencies in a band by summing over the frequencies in it and the global thermodynamics by summing over all the…
International Nuclear Information System (INIS)
Gupta, Sourendu
2007-01-01
In this talk I discuss measures of fluctuations, especially those leading to the proof that the quark gluon plasma indeed contains quarks. I discuss the quark mass dependence of the critical end point of QCD. Then I discuss probes of the QCD critical point. Non-gaussian behaviour of event-to-event fluctuations of conserved quantum numbers is one such probe. Another is due to the coupling of fluctuations in baryon number and electrical charge, giving rise to long range random fluctuations of local charge density which relax slowly. These fluctuations can scatter photons, giving rise to critical opalescence
Gupta, Sourendu
2007-02-01
In this talk I discuss measures of fluctuations, especially those leading to the proof that the quark gluon plasma indeed contains quarks. I discuss the quark mass dependence of the critical end point of QCD. Then I discuss probes of the QCD critical point. Non-gaussian behaviour of event-to-event fluctuations of conserved quantum numbers is one such probe. Another is due to the coupling of fluctuations in baryon number and electrical charge, giving rise to long range random fluctuations of local charge density which relax slowly. These fluctuations can scatter photons, giving rise to critical opalescence.
Energy Technology Data Exchange (ETDEWEB)
Gupta, Sourendu [Department of Theoretical Physics, Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400005 (India)
2007-02-15
In this talk I discuss measures of fluctuations, especially those leading to the proof that the quark gluon plasma indeed contains quarks. I discuss the quark mass dependence of the critical end point of QCD. Then I discuss probes of the QCD critical point. Non-gaussian behaviour of event-to-event fluctuations of conserved quantum numbers is one such probe. Another is due to the coupling of fluctuations in baryon number and electrical charge, giving rise to long range random fluctuations of local charge density which relax slowly. These fluctuations can scatter photons, giving rise to critical opalescence.
Thermal fluctuations and critical behavior in a magnetized, anisotropic plasma
International Nuclear Information System (INIS)
Hazeltine, R. D.; Mahajan, S. M.
2013-01-01
Thermal fluctuations in a magnetized, anisotropic plasma are studied by applying standard methods, based on the Einstein rule, to the known thermodynamic potential of the system. It is found in particular that magnetic fluctuations become critical when the anisotropy p ∥ −p ⊥ changes sign. By examining the critical region, additional insight on the equations of state for near-critical anisotropic plasma is obtained
Katul, G. G.; Palmroth, S.; Manzoni, S.; Oren, R.
2012-12-01
Global climate models predict decreases in leaf stomatal conductance (gs) and transpiration due to increases in atmospheric CO2. The consequences of these reductions are increases in soil moisture availability and continental scale run-off at decadal time-scales. Thus, a theory explaining the differential sensitivity of stomata to changing atmospheric CO2 and other environmental conditions such as soil moisture at the ecosystem scale must be identified. Here, these responses are investigated using an optimality theory applied to stomatal conductance. An analytical model for gs is first proposed based on (a) Fickian mass transfer of CO2 and H2O through stomata; (b) a biochemical photosynthesis model that relates intercellular CO2 to net photosynthesis; and (c) a stomatal model based on optimization for maximizing carbon gains when water losses represent a cost. The optimization theory produced three gas exchange responses that are consistent with observations across a wide-range of species: (1) the sensitivity of gs to vapour pressure deficit (D) is similar to that obtained from a previous synthesis of more than 40 species, (2) the theory is consistent with the onset of an apparent 'feed-forward' mechanism in gs, and (3) the emergent non-linear relationship between the ratio of intercellular to atmospheric CO2 (ci/ca) and D agrees with the results available on this response. A simplified version of this leaf-scale approach recovers the linear relationship between stomatal conductance and leaf-photosynthesis employed in numerous climate models that currently use a variant on the 'Ball-Berry' or the 'Leuning' approaches provided the marginal water use efficiency increases linearly with atmospheric CO2. The model is then up-scaled to the canopy-level using novel theories about the structure of turbulence inside vegetation. This up-scaling proved to be effective in resolving the complex (and two-way) interactions between leaves and their immediate micro
Statistical fluctuations in reactors (1960); Fluctuations statistiques dans les piles (1960)
Energy Technology Data Exchange (ETDEWEB)
Raievski, V [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires
1960-07-01
The theory of space dependent fluctuations is developed, taking into account the effect of delayed neutrons. The 'diffusion equation' or Fokker-Planck equation is worked out in the case of age and two group theory, but the first one because of in physical significance is used in this report. The theory is applied to the study of the spectral density of fluctuations and fluctuations of counting rate and current flowing through the charge resistor of an ionisation chamber, the effect of the entrance capacity is discussed. The space dependent theory shows that the fluctuations in the core and reflector of a near critical pile obey to the same law. The spectral densities in the core and reflector are similar, there is no sensible attenuation of high frequency fluctuations in the reflector. Compared to the space independent theory, this theory give better agreement with experience, one can use the simple space independent theory but in checking with experiment it is necessary to introduce numerical factors given by the space dependent theory. (author) [French] La theorie des fluctuations statistiques est developpee dans le cas spatial en tenant compte des neutrons retardes, et dans le cadre de la theorie de l'age vitesse. L'equation d'evolution de la probabilite est egalement etablie dans le cadre de la theorie a deux groupes. Ces considerations sont appliquees a l'etude de la densite spectrale des fluctuations et aux fluctuations des taux de comptage et du courant circulant dans la resistance de charge du detecteur. On etudie en particulier l'effet de la constante de temps introduite par la capacite d'entree. Cette theorie etablit que les fluctuations dans le coeur et le reflecteur suivent la meme loi pour une pile critique, il en est de meme pour la densite spectrale meme a frequence elevee. Par rapport a la theorie d'ensemble, la theorie spatiale donne des coefficients numeriques ou facteurs de forme, qui permettent d'obtenir un bon accord entre la theorie et l
Maximum entropy production rate in quantum thermodynamics
Energy Technology Data Exchange (ETDEWEB)
Beretta, Gian Paolo, E-mail: beretta@ing.unibs.i [Universita di Brescia, via Branze 38, 25123 Brescia (Italy)
2010-06-01
In the framework of the recent quest for well-behaved nonlinear extensions of the traditional Schroedinger-von Neumann unitary dynamics that could provide fundamental explanations of recent experimental evidence of loss of quantum coherence at the microscopic level, a recent paper [Gheorghiu-Svirschevski 2001 Phys. Rev. A 63 054102] reproposes the nonlinear equation of motion proposed by the present author [see Beretta G P 1987 Found. Phys. 17 365 and references therein] for quantum (thermo)dynamics of a single isolated indivisible constituent system, such as a single particle, qubit, qudit, spin or atomic system, or a Bose-Einstein or Fermi-Dirac field. As already proved, such nonlinear dynamics entails a fundamental unifying microscopic proof and extension of Onsager's reciprocity and Callen's fluctuation-dissipation relations to all nonequilibrium states, close and far from thermodynamic equilibrium. In this paper we propose a brief but self-contained review of the main results already proved, including the explicit geometrical construction of the equation of motion from the steepest-entropy-ascent ansatz and its exact mathematical and conceptual equivalence with the maximal-entropy-generation variational-principle formulation presented in Gheorghiu-Svirschevski S 2001 Phys. Rev. A 63 022105. Moreover, we show how it can be extended to the case of a composite system to obtain the general form of the equation of motion, consistent with the demanding requirements of strong separability and of compatibility with general thermodynamics principles. The irreversible term in the equation of motion describes the spontaneous attraction of the state operator in the direction of steepest entropy ascent, thus implementing the maximum entropy production principle in quantum theory. The time rate at which the path of steepest entropy ascent is followed has so far been left unspecified. As a step towards the identification of such rate, here we propose a possible
Mathematical foundations of thermodynamics
Giles, R; Stark, M; Ulam, S
2013-01-01
Mathematical Foundations of Thermodynamics details the core concepts of the mathematical principles employed in thermodynamics. The book discusses the topics in a way that physical meanings are assigned to the theoretical terms. The coverage of the text includes the mechanical systems and adiabatic processes; topological considerations; and equilibrium states and potentials. The book also covers Galilean thermodynamics; symmetry in thermodynamics; and special relativistic thermodynamics. The book will be of great interest to practitioners and researchers of disciplines that deal with thermodyn
A monequillibrium mary-body systems IV: Respouse function theory
International Nuclear Information System (INIS)
Luzzi, R.; Vasconcellos, A.R.; Algarte, A.C.S.
1987-01-01
A response function theory for many-body systems arbitrarily away from equilibrium is presented. It is based on the nonequilibrium statistical operator method fully described in a previous article. A formal theory is presented evaluation of transition probabilties and the average values of dynamical quantities in far-from-equilibrium many-body systems under the action of external perturbations. A nonequilibrium thermodynamic Green's function algorithn appropriate for the calculation of response functions and scattering cross sections in terms of a generalized fluctuation-dissipation theorem for far-from-equilibrium systems is also derived. (author) [pt
Entropy Production and Fluctuation Theorems for Active Matter
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.
Fluctuating hydrodynamics for ionic liquids
Energy Technology Data Exchange (ETDEWEB)
Lazaridis, Konstantinos [Department of Mathematics and Statistics, Washington State University, Pullman, 99163 (United States); Wickham, Logan [Department of Computer Science, Washington State University, Richland, 99354 (United States); Voulgarakis, Nikolaos, E-mail: n.voulgarakis@wsu.edu [Department of Mathematics and Statistics, Washington State University, Pullman, 99163 (United States)
2017-04-25
We present a mean-field fluctuating hydrodynamics (FHD) method for studying the structural and transport properties of ionic liquids in bulk and near electrified surfaces. The free energy of the system consists of two competing terms: (1) a Landau–Lifshitz functional that models the spontaneous separation of the ionic groups, and (2) the standard mean-field electrostatic interaction between the ions in the liquid. The numerical approach used to solve the resulting FHD-Poisson equations is very efficient and models thermal fluctuations with remarkable accuracy. Such density fluctuations are sufficiently strong to excite the experimentally observed spontaneous formation of liquid nano-domains. Statistical analysis of our simulations provides quantitative information about the properties of ionic liquids, such as the mixing quality, stability, and the size of the nano-domains. Our model, thus, can be adequately parameterized by directly comparing our prediction with experimental measurements and all-atom simulations. Conclusively, this work can serve as a practical mathematical tool for testing various theories and designing more efficient mixtures of ionic liquids. - Highlights: • A new fluctuating hydrodynamics method for ionic liquids. • Description of ionic liquid morphology in bulk and near electrified surfaces. • Direct comparison with experimental measurements.
Positive Nonlinear Dynamical Group Uniting Quantum Mechanics and Thermodynamics
Beretta, Gian Paolo
2006-01-01
We discuss and motivate the form of the generator of a nonlinear quantum dynamical group 'designed' so as to accomplish a unification of quantum mechanics (QM) and thermodynamics. We call this nonrelativistic theory Quantum Thermodynamics (QT). Its conceptual foundations differ from those of (von Neumann) quantum statistical mechanics (QSM) and (Jaynes) quantum information theory (QIT), but for thermodynamic equilibrium (TE) states it reduces to the same mathematics, and for zero entropy stat...
Fluctuation conductivity of thin superconductive vanadium films
International Nuclear Information System (INIS)
Dmitrenko, I.M.; Sidorenko, A.S.; Fogel, N.Y.
1982-01-01
Resistive transitions into the superconductive state are studied in thin [d >T/sub c/ the experimental data on the excess conductivity of the films agree qualitatively and quantitively with Aslamazov--Larkin theory. There is no Maki--Thompson contribution to fluctuation conductivity. Near T/sub c/ the excess conductivity sigma' changes exponentially with temperature in accordance with the predictions of the theory of the critical fluctuations of the order parameter. The values of the effective charge carrier mass defined from data on sigma' for the low fluctuation and critical fluctuation regions differ markedly. This difference is within the spread of effective masses for various charge carrier groups already known for vanadium. Causes of the difference in resistive behavior for the regions T >T/sub c/ are considered
Universal bounds on current fluctuations.
Pietzonka, Patrick; Barato, Andre C; Seifert, Udo
2016-05-01
For current fluctuations in nonequilibrium steady states of Markovian processes, we derive four different universal bounds valid beyond the Gaussian regime. Different variants of these bounds apply to either the entropy change or any individual current, e.g., the rate of substrate consumption in a chemical reaction or the electron current in an electronic device. The bounds vary with respect to their degree of universality and tightness. A universal parabolic bound on the generating function of an arbitrary current depends solely on the average entropy production. A second, stronger bound requires knowledge both of the thermodynamic forces that drive the system and of the topology of the network of states. These two bounds are conjectures based on extensive numerics. An exponential bound that depends only on the average entropy production and the average number of transitions per time is rigorously proved. This bound has no obvious relation to the parabolic bound but it is typically tighter further away from equilibrium. An asymptotic bound that depends on the specific transition rates and becomes tight for large fluctuations is also derived. This bound allows for the prediction of the asymptotic growth of the generating function. Even though our results are restricted to networks with a finite number of states, we show that the parabolic bound is also valid for three paradigmatic examples of driven diffusive systems for which the generating function can be calculated using the additivity principle. Our bounds provide a general class of constraints for nonequilibrium systems.
Thermal fluctuations of dilaton black holes in gravity's rainbow
Dehghani, M.
2018-06-01
In this work, thermodynamics and phase transition of some new dilaton black hole solutions have been explored in the presence of the rainbow functions. By introducing an energy dependent space time, the dilaton potential has been obtained as the linear combination of two Liouville-type potentials and three new classes of black hole solutions have been constructed. The conserved and thermodynamic quantities of the new dilaton black holes have been calculated in the energy dependent space times. It has been shown that, even if some of the thermodynamic quantities are affected by the rainbow functions, the thermodynamical first law still remains valid. Also, the impacts of rainbow functions on the stability or phase transition of the new black hole solutions have been investigated. Finally, the quantum gravitational effects on the thermodynamics and phase transition of the solutions have been studied through consideration of the thermal fluctuations.
Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien; Puzzarini, Cristina
2013-03-12
A state-of-the-art computational strategy for the evaluation of accurate molecular structures as well as thermodynamic and spectroscopic properties along with the direct simulation of infrared (IR) and Raman spectra is established, validated (on the basis of the experimental data available for the Ip glycine conformer) and then used to provide a reliable and accurate characterization of the elusive IVn/gtt and IIIp/tct glycine conformers. The integrated theoretical model proposed is based on accurate post-Hartree-Fock computations (involving composite schemes) of energies, structures, properties, and harmonic force fields coupled to DFT corrections for the proper inclusion of vibrational effects at an anharmonic level (as provided by general second-order perturbative approach). It is shown that the approach presented here allows the evaluation of structural, thermodynamic, and spectroscopic properties with an overall accuracy of about, or better than, 0.001 Å, 20 MHz, 1 kJ·mol(-1), and 10 cm(-1) for bond distances, rotational constants, conformational enthalpies, and vibrational frequencies, respectively. The high accuracy of the computational results allows one to support and complement experimental studies, thus providing (i) an unequivocal identification of several conformers concomitantly present in the experimental mixture and (ii) data not available or difficult to experimentally derive.
Jeffery, Kathleen A; Pelaez, Nancy; Anderson, Trevor R
2018-01-01
To keep biochemistry instruction current and relevant, it is crucial to expose students to cutting-edge scientific research and how experts reason about processes governed by thermodynamics and kinetics such as protein folding and dynamics. This study focuses on how experts explain their research into this topic with the intention of informing instruction. Previous research has modeled how expert biologists incorporate research methods, social or biological context, and analogies when they talk about their research on mechanisms. We used this model as a guiding framework to collect and analyze interview data from four experts. The similarities and differences that emerged from analysis indicate that all experts integrated theoretical knowledge with their research context, methods, and analogies when they explained how phenomena operate, in particular by mapping phenomena to mathematical models; they explored different processes depending on their explanatory aims, but readily transitioned between different perspectives and explanatory models; and they explained thermodynamic and kinetic concepts of relevance to protein folding in different ways that aligned with their particular research methods. We discuss how these findings have important implications for teaching and future educational research. © 2018 K. A. Jeffery et al. CBE—Life Sciences Education © 2018 The American Society for Cell Biology. This article is distributed by The American Society for Cell Biology under license from the author(s). It is available to the public under an Attribution–Noncommercial–Share Alike 3.0 Unported Creative Commons License (http://creativecommons.org/licenses/by-nc-sa/3.0).
Chemical thermodynamic representation of
International Nuclear Information System (INIS)
Lindemer, T.B.; Besmann, T.M.
1984-01-01
The entire data base for the dependence of the nonstoichiometry, x, on temperature and chemical potential of oxygen (oxygen potential) was retrieved from the literature and represented. This data base was interpreted by least-squares analysis using equations derived from the classical thermodynamic theory for the solid solution of a solute in a solvent. For hyperstoichiometric oxide at oxygen potentials more positive than -266700 + 16.5T kJ/mol, the data were best represented by a [UO 2 ]-[U 3 O 7 ] solution. For O/U ratios above 2 and oxygen potentials below this boundary, a [UO 2 ]-[U 2 O 4 . 5 ] solution represented the data. The data were represented by a [UO 2 ]-[U 1 / 3 ] solution. The resulting equations represent the experimental ln(PO 2 ) - ln(x) behavior and can be used in thermodynamic calculations to predict phase boundary compositions consistent with the literature. Collectively, the present analysis permits a mathematical representation of the behavior of the total data base
Current fluctuations of interacting active Brownian particles
Pre, Trevor Grand; Limmer, David T.
2018-01-01
We derive the distribution function for particle currents for a system of interacting active Brownian particles in the long time limit using large deviation theory and a weighted many body expansion. We find the distribution is non-Gaussian, except in the limit of passive particles. The non-Gaussian fluctuations can be understood from the effective potential the particles experience when conditioned on a given current. This potential suppresses fluctuations of the particle's orientation, and ...
Thermodynamic tables to accompany Modern engineering thermodynamics
Balmer, Robert T
2011-01-01
This booklet is provided at no extra charge with new copies of Balmer's Modern Engineering Thermodynamics. It contains two appendices. Appendix C contains 40 thermodynamic tables, and Appendix D consists of 6 thermodynamic charts. These charts and tables are provided in a separate booklet to give instructors the flexibility of allowing students to bring the tables into exams. The booklet may be purchased separately if needed.
Speeds of Propagation in Classical and Relativistic Extended Thermodynamics
Directory of Open Access Journals (Sweden)
Müller Ingo
1999-01-01
Full Text Available The Navier-Stokes-Fourier theory of viscous, heat-conducting fluids provides parabolic equations and thus predicts infinite pulse speeds. Naturally this feature has disqualified the theory for relativistic thermodynamics which must insist on finite speeds and, moreover, on speeds smaller than $c$. The attempts at a remedy have proved heuristically important for a new systematic type of thermodynamics: Extended thermodynamics. That new theory has symmetric hyperbolic field equations and thus it provides finite pulse speeds. Extended thermodynamics is a whole hierarchy of theories with an increasing number of fields when gradients and rates of thermodynamic processes become steeper and faster. The first stage in this hierarchy is the 14-field theory which may already be a useful tool for the relativist in many applications. The 14 fields -- and further fields -- are conveniently chosen from the moments of the kinetic theory of gases. The hierarchy is complete only when the number of fields tends to infinity. In that case the pulse speed of non-relativistic extended thermodynamics tends to infinity while the pulse speed of relativistic extended thermodynamics tends to $c$, the speed of light. In extended thermodynamics symmetric hyperbolicity -- and finite speeds -- are implied by the concavity of the entropy density. This is still true in relativistic thermodynamics for a privileged entropy density which is the entropy density of the rest frame for non-degenerate gases.
Inverse scattering problem in turbulent magnetic fluctuations
Directory of Open Access Journals (Sweden)
R. A. Treumann
2016-08-01
Full Text Available We apply a particular form of the inverse scattering theory to turbulent magnetic fluctuations in a plasma. In the present note we develop the theory, formulate the magnetic fluctuation problem in terms of its electrodynamic turbulent response function, and reduce it to the solution of a special form of the famous Gelfand–Levitan–Marchenko equation of quantum mechanical scattering theory. The last of these applies to transmission and reflection in an active medium. The theory of turbulent magnetic fluctuations does not refer to such quantities. It requires a somewhat different formulation. We reduce the theory to the measurement of the low-frequency electromagnetic fluctuation spectrum, which is not the turbulent spectral energy density. The inverse theory in this form enables obtaining information about the turbulent response function of the medium. The dynamic causes of the electromagnetic fluctuations are implicit to it. Thus, it is of vital interest in low-frequency magnetic turbulence. The theory is developed until presentation of the equations in applicable form to observations of turbulent electromagnetic fluctuations as input from measurements. Solution of the final integral equation should be done by standard numerical methods based on iteration. We point to the possibility of treating power law fluctuation spectra as an example. Formulation of the problem to include observations of spectral power densities in turbulence is not attempted. This leads to severe mathematical problems and requires a reformulation of inverse scattering theory. One particular aspect of the present inverse theory of turbulent fluctuations is that its structure naturally leads to spatial information which is obtained from the temporal information that is inherent to the observation of time series. The Taylor assumption is not needed here. This is a consequence of Maxwell's equations, which couple space and time evolution. The inversion procedure takes
Misuse of thermodynamic entropy in economics
International Nuclear Information System (INIS)
Kovalev, Andrey V.
2016-01-01
The direct relationship between thermodynamic entropy and economic scarcity is only valid for a thermodynamically isolated economy. References to the second law of thermodynamics in economics within the context of scarcity ignore the fact that the earth is not an isolated system. The earth interacts with external sources and sinks of entropy and the resulting total entropy fluctuates around a constant. Even if the mankind finally proves unable to recycle industrial waste and close the technological cycle, the economic disruption caused by the depletion of natural resources may happen while the total thermodynamic entropy of the ecosystem remains essentially at the present level, because the transfer of chemically refined products may not increase significantly the total entropy, but it may decrease their recyclability. The inutility of industrial waste is not connected with its entropy, which may be exemplified with the case of alumina production. The case also demonstrates that industrially generated entropy is discharged into surroundings without being accumulated in ‘thermodynamically unavailable matter’. Material entropy, as a measure of complexity and economic dispersal of resources, can be a recyclability metric, but it is not a thermodynamic parameter, and its growth is not equivalent to the growth of thermodynamic entropy. - Highlights: • Entropy cannot be used as a measure of economic scarcity. • There is no anthropogenic entropy separate from the entropy produced naturally. • Inutility of industrial waste is not connected with its thermodynamic entropy. • Industrially generated entropy may or may not be accumulated in industrial waste. • Recyclability is more important than thermodynamic entropy of a product.
Classical and statistical thermodynamics
Rizk, Hanna A
2016-01-01
This is a text book of thermodynamics for the student who seeks thorough training in science or engineering. Systematic and thorough treatment of the fundamental principles rather than presenting the large mass of facts has been stressed. The book includes some of the historical and humanistic background of thermodynamics, but without affecting the continuity of the analytical treatment. For a clearer and more profound understanding of thermodynamics this book is highly recommended. In this respect, the author believes that a sound grounding in classical thermodynamics is an essential prerequisite for the understanding of statistical thermodynamics. Such a book comprising the two wide branches of thermodynamics is in fact unprecedented. Being a written work dealing systematically with the two main branches of thermodynamics, namely classical thermodynamics and statistical thermodynamics, together with some important indexes under only one cover, this treatise is so eminently useful.
Application of thermodynamics to silicate crystalline solutions
Saxena, S. K.
1972-01-01
A review of thermodynamic relations is presented, describing Guggenheim's regular solution models, the simple mixture, the zeroth approximation, and the quasi-chemical model. The possibilities of retrieving useful thermodynamic quantities from phase equilibrium studies are discussed. Such quantities include the activity-composition relations and the free energy of mixing in crystalline solutions. Theory and results of the study of partitioning of elements in coexisting minerals are briefly reviewed. A thermodynamic study of the intercrystalline and intracrystalline ion exchange relations gives useful information on the thermodynamic behavior of the crystalline solutions involved. Such information is necessary for the solution of most petrogenic problems and for geothermometry. Thermodynamic quantities for tungstates (CaWO4-SrWO4) are calculated.
Horizon thermodynamics in fourth-order gravity
Directory of Open Access Journals (Sweden)
Meng-Sen Ma
2017-03-01
Full Text Available In the framework of horizon thermodynamics, the field equations of Einstein gravity and some other second-order gravities can be rewritten as the thermodynamic identity: dE=TdS−PdV. However, in order to construct the horizon thermodynamics in higher-order gravity, we have to simplify the field equations firstly. In this paper, we study the fourth-order gravity and convert it to second-order gravity via a so-called “Legendre transformation” at the cost of introducing two other fields besides the metric field. With this simplified theory, we implement the conventional procedure in the construction of the horizon thermodynamics in 3 and 4 dimensional spacetime. We find that the field equations in the fourth-order gravity can also be written as the thermodynamic identity. Moreover, we can use this approach to derive the same black hole mass as that by other methods.
Application of Statistical Thermodynamics in Refrigeration
International Nuclear Information System (INIS)
Avsec, J.; Marcic, M.
1999-01-01
The paper presents the mathematical model for computing the thermodynamical properties in the liquid, gas and two-phase domain by means of statistical thermodynamics. The paper features all important components (translation, rotation, internal rotation, vibration, intermolecular potential energy and influence of electron and nuclei excitation). To calculate the thermodynamic properties of real gases, we have developed the cluster theory, which yields better results than the virial equation. In case of real liquids, the Johnson-Zollweg-Gubbins model based on the modified Benedict-Webb-Rubin (BWR) equation was applied. The Lennard-Jones intermolecular potential was used. The analytical results are compared with the thermodynamical data and models obtained from classical thermodynamics, and they show relatively good agreement. (author)
Quantum foam, gravitational thermodynamics, and the dark sector
Ng, Y. Jack
2017-05-01
Is it possible that the dark sector (dark energy in the form of an effective dynamical cosmological constant, and dark matter) has its origin in quantum gravity? This talk sketches a positive response. Here specifically quantum gravity refers to the combined effect of quantum foam (or spacetime foam due to quantum fluctuations of spacetime) and gravitational thermodynamics. We use two simple independent gedankan experiments to show that the holographic principle can be understood intuitively as having its origin in the quantum fluctuations of spacetime. Applied to cosmology, this consideration leads to a dynamical cosmological constant of the observed magnitude, a result that can also be obtained for the present and recent cosmic eras by using unimodular gravity and causal set theory. Next we generalize the concept of gravitational thermodynamics to a spacetime with positive cosmological constant (like ours) to reveal the natural emergence, in galactic dynamics, of a critical acceleration parameter related to the cosmological constant. We are then led to construct a phenomenological model of dark matter which we call “modified dark matter” (MDM) in which the dark matter density profile depends on both the cosmological constant and ordinary matter. We provide observational tests of MDM by fitting the rotation curves to a sample of 30 local spiral galaxies with a single free parameter and by showing that the dynamical and observed masses agree in a sample of 93 galactic clusters. We also give a brief discussion of the possibility that quanta of both dark energy and dark matter are non-local, obeying quantum Boltzmann statistics (also called infinite statistics) as described by a curious average of the bosonic and fermionic algebras. If such a scenario is correct, we can expect some novel particle phenomenology involving dark matter interactions. This may explain why so far no dark matter detection experiments have been able to claim convincingly to have detected
Quantum foam, gravitational thermodynamics, and the dark sector
International Nuclear Information System (INIS)
Ng, Y. Jack
2017-01-01
Is it possible that the dark sector (dark energy in the form of an effective dynamical cosmological constant, and dark matter) has its origin in quantum gravity? This talk sketches a positive response. Here specifically quantum gravity refers to the combined effect of quantum foam (or spacetime foam due to quantum fluctuations of spacetime) and gravitational thermodynamics. We use two simple independent gedankan experiments to show that the holographic principle can be understood intuitively as having its origin in the quantum fluctuations of spacetime. Applied to cosmology, this consideration leads to a dynamical cosmological constant of the observed magnitude, a result that can also be obtained for the present and recent cosmic eras by using unimodular gravity and causal set theory. Next we generalize the concept of gravitational thermodynamics to a spacetime with positive cosmological constant (like ours) to reveal the natural emergence, in galactic dynamics, of a critical acceleration parameter related to the cosmological constant. We are then led to construct a phenomenological model of dark matter which we call “modified dark matter” (MDM) in which the dark matter density profile depends on both the cosmological constant and ordinary matter. We provide observational tests of MDM by fitting the rotation curves to a sample of 30 local spiral galaxies with a single free parameter and by showing that the dynamical and observed masses agree in a sample of 93 galactic clusters. We also give a brief discussion of the possibility that quanta of both dark energy and dark matter are non-local, obeying quantum Boltzmann statistics (also called infinite statistics) as described by a curious average of the bosonic and fermionic algebras. If such a scenario is correct, we can expect some novel particle phenomenology involving dark matter interactions. This may explain why so far no dark matter detection experiments have been able to claim convincingly to have detected
Protein electron transfer: is biology (thermo)dynamic?
International Nuclear Information System (INIS)
Matyushov, Dmitry V
2015-01-01
Simple physical mechanisms are behind the flow of energy in all forms of life. Energy comes to living systems through electrons occupying high-energy states, either from food (respiratory chains) or from light (photosynthesis). This energy is transformed into the cross-membrane proton-motive force that eventually drives all biochemistry of the cell. Life’s ability to transfer electrons over large distances with nearly zero loss of free energy is puzzling and has not been accomplished in synthetic systems. The focus of this review is on how this energetic efficiency is realized. General physical mechanisms and interactions that allow proteins to fold into compact water-soluble structures are also responsible for a rugged landscape of energy states and a broad distribution of relaxation times. Specific to a protein as a fluctuating thermal bath is the protein-water interface, which is heterogeneous both dynamically and structurally. The spectrum of interfacial fluctuations is a consequence of protein’s elastic flexibility combined with a high density of surface charges polarizing water dipoles into surface nanodomains. Electrostatics is critical to the protein function and the relevant questions are: (i) What is the spectrum of interfacial electrostatic fluctuations? (ii) Does the interfacial biological water produce electrostatic signatures specific to proteins? (iii) How is protein-mediated chemistry affected by electrostatics? These questions connect the fluctuation spectrum to the dynamical control of chemical reactivity, i.e. the dependence of the activation free energy of the reaction on the dynamics of the bath. Ergodicity is often broken in protein-driven reactions and thermodynamic free energies become irrelevant. Continuous ergodicity breaking in a dense spectrum of relaxation times requires using dynamically restricted ensembles to calculate statistical averages. When applied to the calculation of the rates, this formalism leads to the nonergodic
Theory of critical phenomena in finite-size systems scaling and quantum effects
Brankov, Jordan G; Tonchev, Nicholai S
2000-01-01
The aim of this book is to familiarise the reader with the rich collection of ideas, methods and results available in the theory of critical phenomena in systems with confined geometry. The existence of universal features of the finite-size effects arising due to highly correlated classical or quantum fluctuations is explained by the finite-size scaling theory. This theory (1) offers an interpretation of experimental results on finite-size effects in real systems; (2) gives the most reliable tool for extrapolation to the thermodynamic limit of data obtained by computer simulations; (3) reveals
Massive Fluctuations in Deconfining SU(2 Yang-Mills Thermodynamics
Directory of Open Access Journals (Sweden)
Ingolf Bischer
2017-01-01
Full Text Available We review how vertex constraints inherited from the thermal ground state strongly reduce the integration support of loop four-momenta associated with massive quasiparticles in bubble diagrams constituting corrections to the free thermal quasiparticle pressure. In spite of the observed increasingly suppressing effect when increasing 2-particle-irreducible (2PI loop order, a quantitative analysis enables us to disprove the conjecture voiced in hep-th/0609033 that the loop expansion would terminate at a finite order. This reveals the necessity to investigate exact expressions of (at least some higher-loop order diagrams. Explicit calculation shows that although the behaviour of the 2PI three-loop contribution at low temperatures displays hierarchical suppression compared to lower loop orders, its high-temperature expression instead dominates all lower orders. However, an all-loop-order resummation of a class of 2PI bubble diagrams is shown to yield an analytic continuation of the low-temperature hierarchy to all temperatures in the deconfining phase.
Chiral thermodynamics of nuclear matter
Energy Technology Data Exchange (ETDEWEB)
Fiorilla, Salvatore
2012-10-23
The equation of state of nuclear matter is calculated at finite temperature in the framework of in-medium chiral perturbation theory up to three-loop order. The dependence of its thermodynamic properties on the isospin-asymmetry is investigated. The chiral quark condensate is evaluated for symmetric nuclear matter. Its behaviour as a function of density and temperature sets important nuclear physics constraints for the QCD phase diagram.
Chiral thermodynamics of nuclear matter
International Nuclear Information System (INIS)
Fiorilla, Salvatore
2012-01-01
The equation of state of nuclear matter is calculated at finite temperature in the framework of in-medium chiral perturbation theory up to three-loop order. The dependence of its thermodynamic properties on the isospin-asymmetry is investigated. The chiral quark condensate is evaluated for symmetric nuclear matter. Its behaviour as a function of density and temperature sets important nuclear physics constraints for the QCD phase diagram.
Non-Equilibrium Thermodynamics in Multiphase Flows
Mauri, Roberto
2013-01-01
Non-equilibrium thermodynamics is a general framework that allows the macroscopic description of irreversible processes. This book introduces non-equilibrium thermodynamics and its applications to the rheology of multiphase flows. The subject is relevant to graduate students in chemical and mechanical engineering, physics and material science. This book is divided into two parts. The first part presents the theory of non-equilibrium thermodynamics, reviewing its essential features and showing, when possible, some applications. The second part of this book deals with how the general theory can be applied to model multiphase flows and, in particular, how to determine their constitutive relations. Each chapter contains problems at the end, the solutions of which are given at the end of the book. No prior knowledge of statistical mechanics is required; the necessary prerequisites are elements of transport phenomena and on thermodynamics. “The style of the book is mathematical, but nonetheless it remains very re...
Structure and thermodynamics of molten salts
International Nuclear Information System (INIS)
Papatheodorou, G.N.
1983-01-01
This chapter investigates single-component molten salts and multicomponent salt mixtures. Molten salts provide an important testing ground for theories of liquids, solutions, and plasmas. Topics considered include molten salts as liquids (the pair potential, the radial distribution function, methods of characterization), single salts (structure, thermodynamic correlations), and salt mixtures (the thermodynamics of mixing; spectroscopy and structure). Neutron and X-ray scattering techniques are used to determine the structure of molten metal halide salts. The corresponding-states theory is used to obtain thermodynamic correlations on single salts. Structural information on salt mixtures is obtained by using vibrational (Raman) and electronic absorption spectroscopy. Charge-symmetrical systems and charge-unsymmetrical systems are used to examine the thermodynamics of salt mixtures
A study in cosmology and causal thermodynamics
International Nuclear Information System (INIS)
Oliveira, H.P. de.
1986-01-01
The especial relativity of thermodynamic theories for reversible and irreversible processes in continuous medium is studied. The formalism referring to equilibrium and non-equilibrium configurations, and theories which includes the presence of gravitational fields are discussed. The nebular model in contraction with dissipative processes identified by heat flux and volumetric viscosity is thermodymically analysed. This model is presented by a plane conformal metric. The temperature, pressure, entropy and entropy production within thermodynamic formalism which adopts the hypothesis of local equilibrium, is calculated. The same analysis is carried out considering a causal thermodynamics, which establishes a local entropy of non-equilibrium. Possible homogeneous and isotropic cosmological models, considering the new phenomenological equation for volumetric viscosity deriving from cause thermodynamics are investigated. The found out models have plane spatial section (K=0) and some ones do not have singularities. The energy conditions are verified and the entropy production for physically reasobable models are calculated. (M.C.K.) [pt
Non-equilibrium thermodynamics in cells.
Jülicher, Frank; Grill, Stephan W; Salbreux, Guillaume
2018-03-15
We review the general hydrodynamic theory of active soft materials that is motivated in partic- ular by biological matter. We present basic concepts of irreversible thermodynamics of spatially extended multicomponent active systems. Starting from the rate of entropy production, we iden- tify conjugate thermodynamic fluxes and forces and present generic constitutive equations of polar active fluids and active gels. We also discuss angular momentum conservation which plays a role in the the physics of active chiral gels. The irreversible thermodynamics of active gels provides a general framework to discuss the physics that underlies a wide variety of biological processes in cells and in multicellular tissues. © 2018 IOP Publishing Ltd.
Introduction to physics mechanics, hydrodynamics thermodynamics
Frauenfelder, P
2013-01-01
Introduction of Physics: Mechanics , Hydrodynamics, Thermodynamics covers the principles of matter and its motion through space and time, as well as the related concepts of energy and force. This book is composed of eleven chapters, and begins with an introduction to the basic principles of mechanics, hydrodynamics, and thermodynamics. The subsequent chapters deal with the statics of rigid bodies and the dynamics of particles and rigid bodies. These topics are followed by discussions on elasticity, mechanics of fluids, the basic concept of thermodynamic, kinetic theory, and crystal structure o
Thermodynamic laws apply to brain function.
Salerian, Alen J
2010-02-01
Thermodynamic laws and complex system dynamics govern brain function. Thus, any change in brain homeostasis by an alteration in brain temperature, neurotransmission or content may cause region-specific brain dysfunction. This is the premise for the Salerian Theory of Brain built upon a new paradigm for neuropsychiatric disorders: the governing influence of neuroanatomy, neurophysiology, thermodynamic laws. The principles of region-specific brain function thermodynamics are reviewed. The clinical and supporting evidence including the paradoxical effects of various agents that alter brain homeostasis is demonstrated.
Entropy and energy quantization: Planck thermodynamic calculation
International Nuclear Information System (INIS)
Mota e Albuquerque, Ivone Freire da.
1988-01-01
This dissertation analyses the origins and development of the concept of entropy and its meaning of the second Law of thermodynamics, as well as the thermodynamics derivation of the energy quantization. The probabilistic interpretation of that law and its implication in physics theory are evidenciated. Based on Clausius work (which follows Carnot's work), we analyse and expose in a original way the entropy concept. Research upon Boltzmann's work and his probabilistic interpretation of the second Law of thermodynamics is made. The discuss between the atomistic and the energeticist points of view, which were actual at that time are also commented. (author). 38 refs., 3 figs
Temporal fluctuations after a quantum quench: Many-particle dephasing
Marquardt, Florian; Kiendl, Thomas
After a quantum quench, the expectation values of observables continue to fluctuate in time. In the thermodynamic limit, one expects such fluctuations to decrease to zero, in order for standard statistical physics to hold. However, it is a challenge to determine analytically how the fluctuations decay as a function of system size. So far, there have been analytical predictions for integrable models (which are, naturally, somewhat special), analytical bounds for arbitrary systems, and numerical results for moderate-size systems. We have discovered a dynamical regime where the decrease of fluctuations is driven by many-particle dephasing, instead of a redistribution of occupation numbers. On the basis of this insight, we are able to provide exact analytical expressions for a model with weak integrability breaking (transverse Ising chain with additional terms). These predictions explicitly show how fluctuations are exponentially suppressed with system size.
Thermodynamic DFT analysis of natural gas.
Neto, Abel F G; Huda, Muhammad N; Marques, Francisco C; Borges, Rosivaldo S; Neto, Antonio M J C
2017-08-01
Density functional theory was performed for thermodynamic predictions on natural gas, whose B3LYP/6-311++G(d,p), B3LYP/6-31+G(d), CBS-QB3, G3, and G4 methods were applied. Additionally, we carried out thermodynamic predictions using G3/G4 averaged. The calculations were performed for each major component of seven kinds of natural gas and to their respective air + natural gas mixtures at a thermal equilibrium between room temperature and the initial temperature of a combustion chamber during the injection stage. The following thermodynamic properties were obtained: internal energy, enthalpy, Gibbs free energy and entropy, which enabled us to investigate the thermal resistance of fuels. Also, we estimated an important parameter, namely, the specific heat ratio of each natural gas; this allowed us to compare the results with the empirical functions of these parameters, where the B3LYP/6-311++G(d,p) and G3/G4 methods showed better agreements. In addition, relevant information on the thermal and mechanic resistance of natural gases were investigated, as well as the standard thermodynamic properties for the combustion of natural gas. Thus, we show that density functional theory can be useful for predicting the thermodynamic properties of natural gas, enabling the production of more efficient compositions for the investigated fuels. Graphical abstract Investigation of the thermodynamic properties of natural gas through the canonical ensemble model and the density functional theory.
A statistical model for instable thermodynamical systems
International Nuclear Information System (INIS)
Sommer, Jens-Uwe
2003-01-01
A generic model is presented for statistical systems which display thermodynamic features in contrast to our everyday experience, such as infinite and negative heat capacities. Such system are instable in terms of classical equilibrium thermodynamics. Using our statistical model, we are able to investigate states of instable systems which are undefined in the framework of equilibrium thermodynamics. We show that a region of negative heat capacity in the adiabatic environment, leads to a first order like phase transition when the system is coupled to a heat reservoir. This phase transition takes place without a phase coexistence. Nevertheless, all intermediate states are stable due to fluctuations. When two instable system are brought in thermal contact, the temperature of the composed system is lower than the minimum temperature of the individual systems. Generally, the equilibrium states of instable system cannot be simply decomposed into equilibrium states of the individual systems. The properties of instable system depend on the environment, ensemble equivalence is broken
Superconductivity and spin fluctuations
International Nuclear Information System (INIS)
Scalapino, D.J.
1999-01-01
The organizers of the Memorial Session for Herman Rietschel asked that the author review some of the history of the interplay of superconductivity and spin fluctuations. Initially, Berk and Schrieffer showed how paramagnon spin fluctuations could suppress superconductivity in nearly-ferromagnetic materials. Following this, Rietschel and various co-workers wrote a number of papers in which they investigated the role of spin fluctuations in reducing the Tc of various electron-phonon superconductors. Paramagnon spin fluctuations are also believed to provide the p-wave pairing mechanism responsible for the superfluid phases of 3 He. More recently, antiferromagnetic spin fluctuations have been proposed as the mechanism for d-wave pairing in the heavy-fermion superconductors and in some organic materials as well as possibly the high-Tc cuprates. Here the author will review some of this early history and discuss some of the things he has learned more recently from numerical simulations
Econodynamics the theory of social production
Pokrovskii, Vladimir N
2018-01-01
This book, now in its third edition, explores how human populations grow, based on their creative abilities. To reconsider the theory of economic growth from a physicist's perspective, the book analyses the concepts of value and utility and their relationship to thermodynamic concepts. This approach allows the author to include characteristics of technology in descriptions of development and to formulate a phenomenological (macroeconomic, no-price fluctuations are discussed) theory of production as a set of evolutionary equations in one-sector and multi-sector approximations. The theory is proved to be useful for describing both national economies and global production in ancient times. This monograph presents the topics in a compact and consistent manner and can be used by students with a background in physics and other natural sciences who wish to specialize in economics. It explains how the growth of production is connected with advances in technology, consumption of labour and energy and makes it possib...
Isomorph theory of physical aging
Dyre, Jeppe C.
2018-04-01
This paper derives and discusses the configuration-space Langevin equation describing a physically aging R-simple system and the corresponding Smoluchowski equation. Externally controlled thermodynamic variables like temperature, density, and pressure enter the description via the single parameter Ts/T, in which T is the bath temperature and Ts is the "systemic" temperature defined at any time t as the thermodynamic equilibrium temperature of the state point with density ρ(t) and potential energy U(t). In equilibrium, Ts ≅ T with fluctuations that vanish in the thermodynamic limit. In contrast to Tool's fictive temperature and other effective temperatures in glass science, the systemic temperature is defined for any configuration with a well-defined density, even if it is not close to equilibrium. Density and systemic temperature define an aging phase diagram, in which the aging system traces out a curve. Predictions are discussed for aging following various density-temperature and pressure-temperature jumps from one equilibrium state to another, as well as for a few other scenarios. The proposed theory implies that R-simple glass-forming liquids are characterized by the dynamic Prigogine-Defay ratio being equal to unity.
One Antimatter— Two Possible Thermodynamics
Directory of Open Access Journals (Sweden)
Alexander Y. Klimenko
2014-02-01
Full Text Available Conventional thermodynamics, which is formulated for our world populated by radiation and matter, can be extended to describe physical properties of antimatter in two mutually exclusive ways: CP-invariant or CPT-invariant. Here we refer to invariance of physical laws under charge (C, parity (P and time reversal (T transformations. While in quantum field theory CPT invariance is a theorem confirmed by experiments, the symmetry principles applied to macroscopic phenomena or to the whole of the Universe represent only hypotheses. Since both versions of thermodynamics are different only in their treatment of antimatter, but are the same in describing our world dominated by matter, making a clear experimentally justified choice between CP invariance and CPT invariance in context of thermodynamics is not possible at present. This work investigates the comparative properties of the CP- and CPT-invariant extensions of thermodynamics (focusing on the latter, which is less conventional than the former and examines conditions under which these extensions can be experimentally tested.
Quantifying fluctuations in reversible enzymatic cycles and clocks
Wierenga, Harmen; ten Wolde, Pieter Rein; Becker, Nils B.
2018-04-01
Biochemical reactions are fundamentally noisy at a molecular scale. This limits the precision of reaction networks, but it also allows fluctuation measurements that may reveal the structure and dynamics of the underlying biochemical network. Here, we study nonequilibrium reaction cycles, such as the mechanochemical cycle of molecular motors, the phosphorylation cycle of circadian clock proteins, or the transition state cycle of enzymes. Fluctuations in such cycles may be measured using either of two classical definitions of the randomness parameter, which we show to be equivalent in general microscopically reversible cycles. We define a stochastic period for reversible cycles and present analytical solutions for its moments. Furthermore, we associate the two forms of the randomness parameter with the thermodynamic uncertainty relation, which sets limits on the timing precision of the cycle in terms of thermodynamic quantities. Our results should prove useful also for the study of temporal fluctuations in more general networks.
Density Fluctuations of Hard-Sphere Fluids in Narrow Confinement
Directory of Open Access Journals (Sweden)
Kim Nygård
2016-02-01
Full Text Available Spatial confinement induces microscopic ordering of fluids, which in turn alters many of their dynamic and thermodynamic properties. However, the isothermal compressibility has hitherto been largely overlooked in the literature, despite its obvious connection to the underlying microscopic structure and density fluctuations in confined geometries. Here, we address this issue by probing density profiles and structure factors of hard-sphere fluids in various narrow slits, using x-ray scattering from colloid-filled nanofluidic containers and integral-equation-based statistical mechanics at the level of pair distributions for inhomogeneous fluids. Most importantly, we demonstrate that density fluctuations and isothermal compressibilities in confined fluids can be obtained experimentally from the long-wavelength limit of the structure factor, providing a formally exact and experimentally accessible connection between microscopic structure and macroscopic, thermodynamic properties. Our approach will thus, for example, allow direct experimental verification of theoretically predicted enhanced density fluctuations in liquids near solvophobic interfaces.
Origin of density fluctuations in extended inflation
International Nuclear Information System (INIS)
Kolb, E.W.; Salopek, D.S.; Turner, M.S.
1990-01-01
We calculate both the curvature and isocurvature density fluctuations that arise due to quantum fluctuations in a simple model of extended inflation based upon the Jordan-Brans-Dicke theory. The curvature fluctuations that arise due to quantum fluctuations in the Brans-Dicke field in general have a non-scale-invariant spectrum and an amplitude that is cosmologically acceptable and interesting without having to tune any coupling constant to a very small value. The curvature perturbations that arise due to the Higgs field are subdominant. If there are other massless fields in the theory, e.g., an axion or an ilion, then isocurvature fluctuations arise in these fields too. Production of gravitational waves and the massless particles associated with excitations of the Brans-Dicke field are also discussed. Several attempts at more realistic models of extended inflation are also analyzed. The importance of the Einstein conformal frame in calculating curvature fluctuations is emphasized. When viewed in this frame, extended inflation closely resembles slow-rollover inflation with an exponential potential, and the usual formula for the amplitude of curvature perturbations applies directly
Origin of density fluctuations in extended inflation
International Nuclear Information System (INIS)
Kolb, E.W.; Salopek, D.S.; Turner, M.S.
1990-05-01
The density fluctuations (both curvature and isocurvature) that arise due to quantum fluctuations in a simple model of extended inflation based upon the Jordan-Brans-Dicke theory are calculated. Curvature fluctuations arise due to quantum fluctuations in the Brans-Dicke field, in general have a nonscale-invariant spectrum, and can have an amplitude that is cosmologically acceptable and interesting without having to tune any coupling constant to a very small value. The density perturbations that arise due to the inflation field are subdominant. If there are other massless fields in the theory, e.g., an axion or an ilion, then isocurvature fluctuations arise in these fields too. Production of gravitational waves and the massless particles associated with excitations of the Brans-Dicke field are also discussed. Several attempts at more realistic models of extended inflation are also analyzed. The importance of the Einstein conformal frame in calculating curvature fluctuations is emphasized. When viewed in this frame, extended inflation closely resembles slow-rollover inflation with an exponential potential and the usual formula for the amplitude of curvature perturbations applies
International Nuclear Information System (INIS)
Cheng, XueTao; Liang, XinGang
2014-01-01
Highlights: • Seven parameters are applied to the analyses of heat pump systems. • Applicability of entropy generation minimization and entransy theory is discussed. • All concepts except for entransy increase rate (EI) decreases with increasing COP. • Only EI increases with increasing heat flow into the high temperature heat sink. • Applicability of both theories is conditional, depending on the objectives. - Abstract: Based on the entropy generation minimization and entransy theory, we discuss the applicability of the concepts of entropy generation rate, entropy generation number, revised entropy generation number, exergy efficiency, entransy increase rate, entransy increase coefficient and entransy efficiency to the analyses of heat pump systems in this paper. The theoretical analyses show that all the concepts except for the entransy increase rate decrease monotonically with increasing COP, while only the entransy increase rate increases monotonically with increasing heat flow pumped into the high temperature heat sink. It is shown that the entransy increase rate is not as convenient as the other concepts for the COP analyses, while it is suitable for the analyses of the heat flow into the high temperature heat sources. Some numerical examples are also presented, and the results have verified the theoretical analyses. Therefore, the applicability of entropy generation minimization and entransy theory to the analyses of heat pump systems is conditional, depending on the design objectives
Introduction to applied thermodynamics
Helsdon, R M; Walker, G E
1965-01-01
Introduction to Applied Thermodynamics is an introductory text on applied thermodynamics and covers topics ranging from energy and temperature to reversibility and entropy, the first and second laws of thermodynamics, and the properties of ideal gases. Standard air cycles and the thermodynamic properties of pure substances are also discussed, together with gas compressors, combustion, and psychrometry. This volume is comprised of 16 chapters and begins with an overview of the concept of energy as well as the macroscopic and molecular approaches to thermodynamics. The following chapters focus o
Twenty lectures on thermodynamics
Buchdahl, H A
2013-01-01
Twenty Lectures on Thermodynamics is a course of lectures, parts of which the author has given various times over the last few years. The book gives the readers a bird's eye view of phenomenological and statistical thermodynamics. The book covers many areas in thermodynamics such as states and transition; adiabatic isolation; irreversibility; the first, second, third and Zeroth laws of thermodynamics; entropy and entropy law; the idea of the application of thermodynamics; pseudo-states; the quantum-static al canonical and grand canonical ensembles; and semi-classical gaseous systems. The text
Fluctuations, dynamical instabilities and clusterization processes
International Nuclear Information System (INIS)
Burgio, G.F.; Chomaz, Ph.; Randrup, J.
1992-01-01
Recent progress with regard to the numerical simulation of fluctuations in nuclear dynamics is reported. Cluster formation in unstable nuclear matter is studied within the framework of a Boltzmann-Langevin equation developed to describe large amplitude fluctuations. Through the Fourier analysis of the fluctuating nuclear density in coordinate space, the onset of the clusterization is related to the dispersion relation of harmonic density oscillations. This detailed study on the simple two-dimensional case demonstrates the validity of the general approach. It is also shown, how the inclusion of fluctuations implies a description in terms of ensemble of trajectories and it is discussed why the presence of a stochastic term may cure the intrinsic unpredictability of deterministic theories (such as mean-field approximation) in presence of instabilities and/or chaos. (author) 8 refs., 3 figs
Hadronic Correlations and Fluctuations
Energy Technology Data Exchange (ETDEWEB)
Koch, Volker
2008-10-09
We will provide a review of some of the physics which can be addressed by studying fluctuations and correlations in heavy ion collisions. We will discuss Lattice QCD results on fluctuations and correlations and will put them into context with observables which have been measured in heavy-ion collisions. Special attention will be given to the QCD critical point and the first order co-existence region, and we will discuss how the measurement of fluctuations and correlations can help in an experimental search for non-trivial structures in the QCD phase diagram.
Quantum fluctuations and inflation
International Nuclear Information System (INIS)
Bardeen, J.M.; Bublik, G.J.
1986-05-01
We study the effect of quantum fluctuations on the roll-down rate of the inflation field in a semiclassical approximation; this is done by treating the inflation field as a classical random field. The quantum fluctuations are simulated by a noise term in the equation of motion. We consider two different inflationary scenarios (new and chaotic inflation) and find that the roll-down rate of the median value of the inflation field is increased by the quantum fluctuations. Non-linear effects may become important in the later stages of the inflationary regime. 8 refs., 2 figs
Quantum fluctuations and inflation
International Nuclear Information System (INIS)
Bardeen, J.M.; Bublik, G.J.
1987-01-01
The authors study the effect of quantum fluctuations on the roll-down rate of the inflation field in a semiclassical approximation; this is done by treating the inflation field as a classical random field. The quantum fluctuations are simulated by a noise term in the equation of motion. Two different inflationary scenarios (new and chaotic inflation) are considered and it is found that the roll-down rate of the median value of the inflation field is increased by the quantum fluctuations. Non-linear effects may become important in the later stages of the inflationary regime. (author)
Equilibrium fluctuation relations for voltage coupling in membrane proteins.
Kim, Ilsoo; Warshel, Arieh
2015-11-01
energy barrier that follow the trend of the equilibrium fluctuation relation and the Marcus theory of electron transfer. These energetics also allow for a direct estimation of the voltage dependence of channel activation (Q-V curve), offering a quantitative rationale for a correlation between the voltage dependence parabolas and the Q-V curve, upon site-directed mutagenesis or drug binding. Taken together, by introducing the voltage coupling as the energy gap reaction coordinate, our framework brings new perspectives to the thermodynamic models of voltage activation in voltage-sensitive membrane proteins, offering an a framework for a better understating of the structure-function correlations of voltage gating in ion channels as well as electrogenic phenomena in ion pumps and transporters. Significantly, this formulation also provides a powerful bridge between the CG model of voltage coupling and the conventional macroscopic treatments. Copyright © 2015 Elsevier B.V. All rights reserved.
Thermodynamic and surface properties of liquid Co–Cr–Ni alloys
International Nuclear Information System (INIS)
Costa, C.; Delsante, S.; Borzone, G.; Zivkovic, D.; Novakovic, R.
2014-01-01
Highlights: • The liquid phases of Co–Cr, Co–Ni and Cr–Ni were modelled by the Quasi Chemical Approximation for regular solutions. • The excess Gibbs free energy of mixing of the liquid Co–Cr–Ni phase is estimated by the three thermodynamic models. • Prediction of structure can compensate the lack of structural data of Co–Cr, Co–Ni and Cr–Ni melts. • Thermodynamic modelling of the surface properties of Co–Cr–Ni melts. • Weak effects of short range ordering among nearest neighbours in Co–Cr, Co–Ni and Cr–Ni liquid alloys can be deduced. -- Abstract: Direct measurements of bulk and surface properties of liquid alloys at elevated temperatures are often technically difficult or even impossible, and therefore, theoretical models can be used to estimate missing property values. The energetics of mixing in liquid Co–Cr, Cr–Ni and Co–Ni systems has been analysed through the study of the concentration dependence of various thermodynamic, surface (surface tension and surface composition) and structural properties (concentration fluctuations in the long-wavelength limit and chemical short-range order parameter) by the first or the Quasi-Chemical Approximation (QCA) for regular solutions, developed by Bhatia and Singh, in the framework of statistical mechanical theory in conjunction with the Quasi-Lattice Theory (QLT). The results obtained for these binary systems have been extended to study the thermodynamics and surface properties of ternary Co–Cr–Ni liquid alloys
Thermodynamic studies of different black holes with modifications of entropy
Haldar, Amritendu; Biswas, Ritabrata
2018-02-01
In recent years, the thermodynamic properties of black holes are topics of interests. We investigate the thermodynamic properties like surface gravity and Hawking temperature on event horizon of regular black holes viz. Hayward Class and asymptotically AdS (Anti-de Sitter) black holes. We also analyze the thermodynamic volume and naive geometric volume of asymptotically AdS black holes and show that the entropy of these black holes is simply the ratio of the naive geometric volume to thermodynamic volume. We plot the different graphs and interpret them physically. We derive the `cosmic-Censorship-Inequality' for both type of black holes. Moreover, we calculate the thermal heat capacity of aforesaid black holes and study their stabilities in different regimes. Finally, we compute the logarithmic correction to the entropy for both the black holes considering the quantum fluctuations around the thermal equilibrium and study the corresponding thermodynamics.
The 4th Thermodynamic Principle?
International Nuclear Information System (INIS)
Montero Garcia, Jose de la Luz; Novoa Blanco, Jesus Francisco
2007-01-01
It should be emphasized that the 4th Principle above formulated is a thermodynamic principle and, at the same time, is mechanical-quantum and relativist, as it should inevitably be and its absence has been one of main the theoretical limitations of the physical theory until today.We show that the theoretical discovery of Dimensional Primitive Octet of Matter, the 4th Thermodynamic Principle, the Quantum Hexet of Matter, the Global Hexagonal Subsystem of Fundamental Constants of Energy and the Measurement or Connected Global Scale or Universal Existential Interval of the Matter is that it is possible to be arrived at a global formulation of the four 'forces' or fundamental interactions of nature. The Einstein's golden dream is possible
Modern Thermodynamics with Statistical Mechanics
Helrich, Carl S
2009-01-01
With the aim of presenting thermodynamics in as simple and as unified a form as possible, this textbook starts with an introduction to the first and second laws and then promptly addresses the complete set of the potentials in a subsequent chapter and as a central theme throughout. Before discussing modern laboratory measurements, the book shows that the fundamental quantities sought in the laboratory are those which are required for determining the potentials. Since the subjects of thermodynamics and statistical mechanics are a seamless whole, statistical mechanics is treated as integral part of the text. Other key topics such as irreversibility, the ideas of Ilya Prigogine, chemical reaction rates, equilibrium of heterogeneous systems, and transition-state theory serve to round out this modern treatment. An additional chapter covers quantum statistical mechanics due to active current research in Bose-Einstein condensation. End-of-chapter exercises, chapter summaries, and an appendix reviewing fundamental pr...
Fluorescence fluctuation spectroscopy (FFS)
Tetin, Sergey
2012-01-01
This new volume of Methods in Enzymology continues the legacy of this premier serial with quality chapters authored by leaders in the field. This volume covers fluorescence fluctuation spectroscopy and includes chapters on such topics as Förster resonance energy transfer (fret) with fluctuation algorithms, protein corona on nanoparticles by FCS, and FFS approaches to the study of receptors in live cells. Continues the legacy of this premier serial with quality chapters authored by leaders in the field Covers fluorescence fluctuation spectroscopy Contains chapters on such topics as Förster resonance energy transfer (fret) with fluctuation algorithms, protein corona on nanoparticles by FCS, and FFS approaches to the study of receptors in live cells.
Fully Quantum Fluctuation Theorems
Åberg, Johan
2018-02-01
Systems that are driven out of thermal equilibrium typically dissipate random quantities of energy on microscopic scales. Crooks fluctuation theorem relates the distribution of these random work costs to the corresponding distribution for the reverse process. By an analysis that explicitly incorporates the energy reservoir that donates the energy and the control system that implements the dynamic, we obtain a quantum generalization of Crooks theorem that not only includes the energy changes in the reservoir but also the full description of its evolution, including coherences. Moreover, this approach opens up the possibility for generalizations of the concept of fluctuation relations. Here, we introduce "conditional" fluctuation relations that are applicable to nonequilibrium systems, as well as approximate fluctuation relations that allow for the analysis of autonomous evolution generated by global time-independent Hamiltonians. We furthermore extend these notions to Markovian master equations, implicitly modeling the influence of the heat bath.
Astumian, R D
2018-01-11
In the absence of input energy, a chemical reaction in a closed system ineluctably relaxes toward an equilibrium state governed by a Boltzmann distribution. The addition of a catalyst to the system provides a way for more rapid equilibration toward this distribution, but the catalyst can never, in and of itself, drive the system away from equilibrium. In the presence of external fluctuations, however, a macromolecular catalyst (e.g., an enzyme) can absorb energy and drive the formation of a steady state between reactant and product that is not determined solely by their relative energies. Due to the ubiquity of non-equilibrium steady states in living systems, the development of a theory for the effects of external fluctuations on chemical systems has been a longstanding focus of non-equilibrium thermodynamics. The theory of stochastic pumping has provided insight into how a non-equilibrium steady-state can be formed and maintained in the presence of dissipation and kinetic asymmetry. This effort has been greatly enhanced by a confluence of experimental and theoretical work on synthetic molecular machines designed explicitly to harness external energy to drive non-equilibrium transport and self-assembly.
Zeta function methods and quantum fluctuations
International Nuclear Information System (INIS)
Elizalde, Emilio
2008-01-01
A review of some recent advances in zeta function techniques is given, in problems of pure mathematical nature but also as applied to the computation of quantum vacuum fluctuations in different field theories, and specially with a view to cosmological applications