On thermodynamic limits of entropy densities
Moriya, H; Van Enter, A
We give some sufficient conditions which guarantee that the entropy density in the thermodynamic limit is equal to the thermodynamic limit of the entropy densities of finite-volume (local) Gibbs states.
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.
Limitations of existing web services
Indian Academy of Sciences (India)
First page Back Continue Last page Overview Graphics. Limitations of existing web services. Uploading or downloading large data. Serving too many user from single source. Difficult to provide computer intensive job. Depend on internet and its bandwidth. Security of data in transition. Maintain confidentiality of data ...
Thermodynamic limit and decoherence: rigorous results
Energy Technology Data Exchange (ETDEWEB)
Frasca, Marco [Via Erasmo Gattamelata 3, 00176 Rome (Italy)
2007-05-15
Time evolution operator in quantum mechanics can be changed into a statistical operator by a Wick rotation. This strict relation between statistical mechanics and quantum evolution can reveal deep results when the thermodynamic limit is considered. These results translate in a set of theorems proving that these effects can be effectively at work producing an emerging classical world without recurring to any external entity that in some cases cannot be properly defined. For a many-body system it has been recently shown that Gaussian decay of the coherence is the rule with a duration of recurrence more and more small as the number of particles increases. This effect has been observed experimentally. More generally, a theorem about coherence of bulk matter can be proved. All this takes us to the conclusion that a well defined boundary for the quantum to classical world does exist and that can be drawn by the thermodynamic limit, extending in this way the deep link between statistical mechanics and quantum evolution to a high degree.
Thermodynamic limit for coherence-limited solar power conversion
Mashaal, Heylal; Gordon, Jeffrey M.
2014-09-01
The spatial coherence of solar beam radiation is a key constraint in solar rectenna conversion. Here, we present a derivation of the thermodynamic limit for coherence-limited solar power conversion - an expansion of Landsberg's elegant basic bound, originally limited to incoherent converters at maximum flux concentration. First, we generalize Landsberg's work to arbitrary concentration and angular confinement. Then we derive how the values are further lowered for coherence-limited converters. The results do not depend on a particular conversion strategy. As such, they pertain to systems that span geometric to physical optics, as well as classical to quantum physics. Our findings indicate promising potential for solar rectenna conversion.
Hadronic thermodynamics: Is there a limiting temperature
International Nuclear Information System (INIS)
Olive, K.E.
1984-01-01
The hadron mass spectrum continues to be a topic of theoretical interest and will remain so until there can be some experimental verification in future heavy ion collisions. There are a variety of models such as the bootstrap, dual, bag etc., which all predict an exponentially rising density of states approx.= exp(m/T 0 ), T 0 approx.=160 MeV. Once one assumes an exponential mass spectrum, one generally finds singularities in thermodynamic quantities and hence possibly a limiting temperature at T 0 . In this talk, I point out some possible ways out of this dilemma. (orig./HSI)
Roothaan approach in the thermodynamic limit
Gutierrez, G.; Plastino, A.
1982-02-01
A systematic method for the solution of the Hartree-Fock equations in the thermodynamic limit is presented. The approach is seen to be a natural extension of the one usually employed in the finite-fermion case, i.e., that developed by Roothaan. The new techniques developed here are applied, as an example, to neutron matter, employing the so-called V1 Bethe "homework" potential. The results obtained are, by far, superior to those that the ordinary plane-wave Hartree-Fock theory yields. NUCLEAR STRUCTURE Hartree-Fock approach; nuclear and neutron matter.
Roothaan approach in the thermodynamic limit
International Nuclear Information System (INIS)
Gutierrez, G.; Plastino, A.
1982-01-01
A systematic method for the solution of the Hartree-Fock equations in the thermodynamic limit is presented. The approach is seen to be a natural extension of the one usually employed in the finite-fermion case, i.e., that developed by Roothaan. The new techniques developed here are applied, as an example, to neutron matter, employing the so-called V 1 Bethe homework potential. The results obtained are, by far, superior to those that the ordinary plane-wave Hartree-Fock theory yields
Singular limits in thermodynamics of viscous fluids
Feireisl, Eduard
2017-01-01
This book is about singular limits of systems of partial differential equations governing the motion of thermally conducting compressible viscous fluids. "The main aim is to provide mathematically rigorous arguments how to get from the compressible Navier-Stokes-Fourier system several less complex systems of partial differential equations used e.g. in meteorology or astrophysics. However, the book contains also a detailed introduction to the modelling in mechanics and thermodynamics of fluids from the viewpoint of continuum physics. The book is very interesting and important. It can be recommended not only to specialists in the field, but it can also be used for doctoral students and young researches who want to start to work in the mathematical theory of compressible fluids and their asymptotic limits." Milan Pokorný (zbMATH) "This book is of the highest quality from every point of view. It presents, in a unified way, recent research material of fundament al importance. It is self-contained, thanks to Chapt...
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.
Small Systems and Limitations on the Use of Chemical Thermodynamics
Tovbin, Yu. K.
2018-01-01
Limitations on using chemical thermodynamics to describe small systems are formulated. These limitations follow from statistical mechanics for equilibrium and nonequilibrium processes and reflect (1) differences between characteristic relaxation times in momentum, energy, and mass transfer in different aggregate states of investigated systems; (2) achievements of statistical mechanics that allow us to determine criteria for the size of smallest region in which thermodynamics can be applied and the scale of the emergence of a new phase, along with criteria for the conditions of violating a local equilibrium. Based on this analysis, the main thermodynamic results are clarified: the phase rule for distorted interfaces, the sense and area of applicability of Gibbs's concept of passive forces, and the artificiality of Kelvin's equation as a result of limitations on the thermodynamic approach to considering small bodies. The wrongness of introducing molecular parameters into thermodynamic derivations, and the activity coefficient for an activated complex into the expression for a reaction rate constant, is demonstrated.
Limitations and Functions: Four Examples of Integrating Thermodynamics
Chang, Wheijen
2011-01-01
Physics students are usually unaware of the limitations and functions of related principles, and they tend to adopt "hot formulas" inappropriately. This paper introduces four real-life examples for bridging five principles, from fluids to thermodynamics, including (1) buoyant force, (2) thermal expansion, (3) the ideal-gas law, (4) the 1st law,…
Thermodynamic limits of energy harvesting from outgoing thermal radiation.
Buddhiraju, Siddharth; Santhanam, Parthiban; Fan, Shanhui
2018-04-17
We derive the thermodynamic limits of harvesting power from the outgoing thermal radiation from the ambient to the cold outer space. The derivations are based on a duality relation between thermal engines that harvest solar radiation and those that harvest outgoing thermal radiation. In particular, we derive the ultimate limit for harvesting outgoing thermal radiation, which is analogous to the Landsberg limit for solar energy harvesting, and show that the ultimate limit far exceeds what was previously thought to be possible. As an extension of our work, we also derive the ultimate limit of efficiency of thermophotovoltaic systems.
Non-existence of limit cycles for planar vector fields
Directory of Open Access Journals (Sweden)
Jaume Gine
2014-03-01
Full Text Available This article presents sufficient conditions for the non-existence of limit cycles for planar vector fields. Classical methods for the nonexistence of limit cycles are connected with the theory developed here.
Introduction to thermodynamics of spin models in the Hamiltonian limit
Energy Technology Data Exchange (ETDEWEB)
Berche, Bertrand [Groupe M, Laboratoire de Physique des Materiaux, UMR CNRS No 7556, Universite Henri Poincare, Nancy 1, BP 239, F-54506 Vandoeuvre les Nancy, (France); Lopez, Alexander [Instituto Venezolano de Investigaciones CientIficas, Centro de Fisica, Carr. Panamericana, km 11, Altos de Pipe, Aptdo 21827, 1020-A Caracas, (Venezuela)
2006-01-01
A didactic description of the thermodynamic properties of classical spin systems is given in terms of their quantum counterpart in the Hamiltonian limit. Emphasis is on the construction of the relevant Hamiltonian and the calculation of thermal averages is explicitly done in the case of small systems described, in Hamiltonian field theory, by small matrices. The targeted students are those of a graduate statistical physics course.
Quantifying losses and thermodynamic limits in nanophotonic solar cells
Mann, Sander A.; Oener, Sebastian Z.; Cavalli, Alessandro; Haverkort, Jos E. M.; Bakkers, Erik P. A. M.; Garnett, Erik C.
2016-12-01
Nanophotonic engineering shows great potential for photovoltaics: the record conversion efficiencies of nanowire solar cells are increasing rapidly and the record open-circuit voltages are becoming comparable to the records for planar equivalents. Furthermore, it has been suggested that certain nanophotonic effects can reduce costs and increase efficiencies with respect to planar solar cells. These effects are particularly pronounced in single-nanowire devices, where two out of the three dimensions are subwavelength. Single-nanowire devices thus provide an ideal platform to study how nanophotonics affects photovoltaics. However, for these devices the standard definition of power conversion efficiency no longer applies, because the nanowire can absorb light from an area much larger than its own size. Additionally, the thermodynamic limit on the photovoltage is unknown a priori and may be very different from that of a planar solar cell. This complicates the characterization and optimization of these devices. Here, we analyse an InP single-nanowire solar cell using intrinsic metrics to place its performance on an absolute thermodynamic scale and pinpoint performance loss mechanisms. To determine these metrics we have developed an integrating sphere microscopy set-up that enables simultaneous and spatially resolved quantitative absorption, internal quantum efficiency (IQE) and photoluminescence quantum yield (PLQY) measurements. For our record single-nanowire solar cell, we measure a photocurrent collection efficiency of >90% and an open-circuit voltage of 850 mV, which is 73% of the thermodynamic limit (1.16 V).
Exact thermodynamic principles for dynamic order existence and evolution in chaos
International Nuclear Information System (INIS)
Mahulikar, Shripad P.; Herwig, Heinz
2009-01-01
The negentropy proposed first by Schroedinger is re-examined, and its conceptual and mathematical definitions are introduced. This re-definition of negentropy integrates Schroedinger's intention of its introduction, and the subsequent diverse notions in literature. This negentropy is further corroborated by its ability to state the two exact thermodynamic principles: negentropy principle for dynamic order existence and principle of maximum negentropy production (PMNEP) for dynamic order evolution. These principles are the counterparts of the existing entropy principle and the law of maximum entropy production, respectively. The PMNEP encompasses the basic concepts in the evolution postulates by Darwin and de Vries. Perspectives of dynamic order evolution in literature point to the validity of PMNEP as the law of evolution. These two additional principles now enable unified explanation of order creation, existence, evolution, and destruction; using thermodynamics.
31 CFR 370.26 - What limitations exist on liability?
2010-07-01
... TRANSFERS RELATING TO UNITED STATES SECURITIES Debit Entries § 370.26 What limitations exist on liability? If we sustain a loss because a financial institution fails to handle an entry in accordance with this...
Hartree-Fock states in the thermodynamic limit
International Nuclear Information System (INIS)
Aguilera-Navarro, V.C.; Llano, M. de; Peltier, S.; Plastino, A.
1976-01-01
Two infinite families of two-parameter generalized Overhauser orbitals are introduced and shown to explicitly satisfy, for occupied states, the self-consistent Hartree-Fock equations in the thermodynamic limit. For an attractive delta interaction, they give lower Hartree-Fock energy than the usual plane-wave solutions, even for relatively weak coupling and/or low density. The limiting members (possessing an infinite number of harmonics) of both families appear to tend to a 'classical static lattice' state. The related density profiles and energy expressions are calculated as functions of the two new parameters. A direct-variation with respect to these parameters was done numerically and results are presented graphically. (Author) [pt
Thermodynamic calculation of the regions of stable existance of niobium nitride phases
International Nuclear Information System (INIS)
Chernyaev, V.V.; Mitrofanov, B.V.; Moiseev, G.K.; 6030000SU)
1987-01-01
Conditions of formation and stable existence of Nb 2 N and NbN niobium nitrides and the general picture of phase transformations in Nb-N system were determined in wide range of temperatures 1400-4000 K and pressures 10 -9 -10 MPa in result of thermodynamic analysis of Nb-N system using the program, realizing algorithm of total potential minimization. The sufficient nitrogen excess is necessary for formation of Nb 2 N and NbN especially. The temperature stability region and the temperature of NbN and Nb 2 N decomposition is shifted to high temperature region with pressure growth. Pressure region where niobium nitrides are stable, is shifted to high pressure region. The obtained calculation data correspond satisfactorily with experimental publication results. This testifies to possibility of using results of thermodynamic calculations for construction of p-T-diagrams of Nb-N system state
On explicit thermodynamic functions and extremal limits of Myers-Perry black holes
International Nuclear Information System (INIS)
Aaman, Jan E.; Pidokrajt, Narit
2013-01-01
We study thermodynamic geometries of Myers-Perry (MP) black holes with arbitrary number of angular momenta. This geometric method allows us to visualize thermodynamic state spaces of the MP black holes as wedges embedded in a Minkowski-like parameter space. The opening angles of these wedges are uniquely determined by the number of spacetime dimensions d, and the number of angular momenta associated with the MP black holes, n. The geometric structure captures extremal limits of the MP black holes, and hence serves as a method for identifying the black hole's extremal limit. We propose that classification of the MP black hole solutions should based on these uncovered structures. In order for the ultraspinning regime to exist, at least one of the angular momenta has to be set to zero. Finally, we conjecture that the membrane phase of ultraspinning MP black holes is reached at the minimum temperature in the case where 2n< d-3 based on the thermodynamic curvature obtained. (orig.)
Ćwikliński, Piotr; Studziński, Michał; Horodecki, Michał; Oppenheim, Jonathan
2015-11-20
The second law of thermodynamics places a limitation into which states a system can evolve into. For systems in contact with a heat bath, it can be combined with the law of energy conservation, and it says that a system can only evolve into another if the free energy goes down. Recently, it's been shown that there are actually many second laws, and that it is only for large macroscopic systems that they all become equivalent to the ordinary one. These additional second laws also hold for quantum systems, and are, in fact, often more relevant in this regime. They place a restriction on how the probabilities of energy levels can evolve. Here, we consider additional restrictions on how the coherences between energy levels can evolve. Coherences can only go down, and we provide a set of restrictions which limit the extent to which they can be maintained. We find that coherences over energy levels must decay at rates that are suitably adapted to the transition rates between energy levels. We show that the limitations are matched in the case of a single qubit, in which case we obtain the full characterization of state-to-state transformations. For higher dimensions, we conjecture that more severe constraints exist. We also introduce a new class of thermodynamical operations which allow for greater manipulation of coherences and study its power with respect to a class of operations known as thermal operations.
International Nuclear Information System (INIS)
Ivanov, Evgeniy V.
2012-01-01
Highlights: ► Excess limiting molar volume may be regarded as a solvation-related characteristic. ► Volumetric and enthalpic effects of dissolution are interrelated thermodynamically. ► Possibility to estimate the partial change in solute compressibility is described. - Abstract: On the basis of thermodynamic analysis, it is concluded that the excess limiting partial molar volume, like the excess limiting partial molar enthalpy, can be considered as a solvation-related characteristic of a liquid nonelectrolyte. A thermodynamically grounded interrelation between standard volumetric and enthalpic effects of solution of a liquid nonelectrolyte (or series of nonelectrolytes) is suggested.
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
Thermodynamic limits to information harvesting by sensory systems
International Nuclear Information System (INIS)
Bo, Stefano; Giudice, Marco Del; Celani, Antonio
2015-01-01
In view of the relation between information and thermodynamics we investigate how much information about an external protocol can be stored in the memory of a stochastic measurement device given an energy budget. We consider a layered device with a memory component storing information about the external environment by monitoring the history of a sensory part coupled to the environment. We derive an integral fluctuation theorem for the entropy production and a measure of the information accumulated in the memory device. Its most immediate consequence is that the amount of information is bounded by the average thermodynamic entropy produced by the process. At equilibrium no entropy is produced and therefore the memory device does not add any information about the environment to the sensory component. Consequently, if the system operates at equilibrium the addition of a memory component is superfluous. Such a device can be used to model the sensing process of a cell measuring the external concentration of a chemical compound and encoding the measurement in the amount of phosphorylated cytoplasmic proteins. (paper)
New criteria on the existence of stable-limit cycles
Energy Technology Data Exchange (ETDEWEB)
Gonzales-Gascon, F [Instituto de Estructura de la Materia (GIFT) y Dep. de Fisica Teorica Universidad Complutense, Madrid (Espana); Kumpera, A [Universidade Estadual de Campinas (Brazil). Inst. de Matematica
1978-06-10
Negative criteria are given assuring the absence of stable limit cycles. These criteria are valid for vector fields over R/sup 3/ and R/sup 4/ and some of them can be applied to vector fields over Rsup(n).
On Limitations of Existing Methods for Location Privacy
DEFF Research Database (Denmark)
Andersen, Mads Schaarup
This paper argues that there are some limitations when applying location privacy methods developed for point-ofinterest services to newer classes of location based services. We support the argument by categorizing methods for location privacy and identifying the issues. It is hypothesized...
Evaluating Existing Strategies to Limit Video Game Playing Time.
Davies, Bryan; Blake, Edwin
2016-01-01
Public concern surrounding the effects video games have on players has inspired a large body of research, and policy makers in China and South Korea have even mandated systems that limit the amount of time players spend in game. The authors present an experiment that evaluates the effectiveness of such policies. They show that forcibly removing players from the game environment causes distress, potentially removing some of the benefits that games provide and producing a desire for more game time. They also show that, with an understanding of player psychology, playtime can be manipulated without significantly changing the user experience or negating the positive effects of video games.
Thermodynamic Limits of Body Dimension of Warm Blooded Animals
Ahlborn, Boye K.
2000-05-01
The metabolic rates Г o = aoM 0.73 [W], a 0 = 3.6, of animals of different body masses M [kg] determines their heat production Q' and their mechanical power output P. The metabolic heat production of small warm blooded animals living in a cold environment sets lower size limits for the body mass of birds and terrestrial mammals of Mt,b ≥ 0.01 kg and Maq ≥ 10 kg for fast aquatic mammals. Birds must travel at the speed υfl = 15M 1/6 [m/s] in order to stay aloft, but their muscles only generate the metabolic velocity υ Г ≤≈ 50M -0.25 [m/s]. These conditions yield an upper body size limit for flying birds: Mb ,max ≤ 15 kg. Walking speeds scale with body mass as υ walk ∝ M 1/6, while propagation speeds for endurance running are nearly independent of body mass. This makes walking faster than endurance running for animals with body masses M ≥ 600 kg.
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
2010-07-01
... effluent limitations guidelines for existing sources, standards of performance for new sources and... ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) EFFLUENT GUIDELINES AND STANDARDS GENERAL PROVISIONS § 401.12 Law authorizing establishment of effluent limitations guidelines for existing sources, standards of performance...
Sprakel, J.H.B.; Besseling, N.A.M.; Cohen Stuart, M.A.; Leermakers, F.A.M.
2008-01-01
We introduce a simple thermodynamic argument for capillary adhesion forces, for various geometries, in the limit of saturation of the bulk phase. For one specific geometry (i.e., the sphere¿plate geometry such as that found in the colloidal probe AFM technique), we provide evidence of the validity
Thermodynamic bounds for existence of normal shock in compressible fluid flow in pipes
Directory of Open Access Journals (Sweden)
SERGIO COLLE
Full Text Available Abstract The present paper is concerned with the thermodynamic theory of the normal shock in compressible fluid flow in pipes, in the lights of the pioneering works of Lord Rayleigh and G. Fanno. The theory of normal shock in pipes is currently presented in terms of the Rayleigh and Fanno curves, which are shown to cross each other in two points, one corresponding to a subsonic flow and the other corresponding to a supersonic flow. It is proposed in this paper a novel differential identity, which relates the energy flux density, the linear momentum flux density, and the entropy, for constant mass flow density. The identity so obtained is used to establish a theorem, which shows that Rayleigh and Fanno curves become tangent to each other at a single sonic point. At the sonic point the entropy reaches a maximum, either as a function of the pressure and the energy density flux or as a function of the pressure and the linear momentum density flux. A Second Law analysis is also presented, which is fully independent of the Second Law analysis based on the Rankine-Hugoniot adiabatic carried out by Landau and Lifshitz (1959.
The Lanczos algorithm for extensive many-body systems in the thermodynamic limit
International Nuclear Information System (INIS)
Witte, N.S.; Bessis, D.
1999-01-01
We establish rigorously the scaling properties of the Lanczos process applied to an arbitrary extensive Many-Body System which is carried to convergence n → ∞ and the thermodynamic limit N → ∞ taken. In this limit the solution for the limiting Lanczos coefficients are found exactly and generally through two equivalent sets of equations, given initial knowledge of the exact cumulant generating function. The measure and the Orthogonal Polynomial System associated with the Lanczos process in this regime are also given explicitly. Some important representations of these Lanczos functions are provided, including Taylor series expansions, and the theorems controlling their general properties are proven. (authors)
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.
International Nuclear Information System (INIS)
Qin Shaojin; Yu Lu.
1996-03-01
The critical exponent of the momentum distribution near k F , 3k F and 5k F are studied numerically for one-dimensional U → ∞ Hubbard model, using finite size systems and extrapolating them to the thermodynamic limit. Results at k F agree with earlier calculations, while at 3k F exponents less than 1 are obtained for finite size systems with extrapolation to 1 (regular behaviour) in the thermodynamic limit, in contrast to earlier analytic prediction 9/8. The distribution is regular at 5k F even for finite systems. The singularity near 3k F is interpreted as due to low energy excitations near 3k F in finite systems. (author). 18 refs, 4 figs, 1 tab
Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit
Gruber, Thomas; Liao, Ke; Tsatsoulis, Theodoros; Hummel, Felix; Grüneis, Andreas
2018-04-01
Modern electronic structure theories can predict and simulate a wealth of phenomena in surface science and solid-state physics. In order to allow for a direct comparison with experiment, such ab initio predictions have to be made in the thermodynamic limit, substantially increasing the computational cost of many-electron wave-function theories. Here, we present a method that achieves thermodynamic limit results for solids and surfaces using the "gold standard" coupled cluster ansatz of quantum chemistry with unprecedented efficiency. We study the energy difference between carbon diamond and graphite crystals, adsorption energies of water on h -BN, as well as the cohesive energy of the Ne solid, demonstrating the increased efficiency and accuracy of coupled cluster theory for solids and surfaces.
2010-07-01
... Small Municipal Waste Combustion Limits 2 Table 2 to Subpart JJJ of Part 62 Protection of Environment... Combustion Units Constructed on or Before August 30, 1999 Pt. 62, Subpt. JJJ, Table 2 Table 2 to Subpart JJJ of Part 62—Class I Emission Limits for Existing Small Municipal Waste Combustion Limits ER31JA03.006...
34 CFR 99.12 - What limitations exist on the right to inspect and review records?
2010-07-01
... 34 Education 1 2010-07-01 2010-07-01 false What limitations exist on the right to inspect and... EDUCATIONAL RIGHTS AND PRIVACY What Are the Rights of Inspection and Review of Education Records? § 99.12 What limitations exist on the right to inspect and review records? (a) If the education records of a student...
Energy Technology Data Exchange (ETDEWEB)
Duro, L.; Grive, M.; Cera, E.; Domenech, C.; Bruno, J. (Enviros Spain S.L., Barcelona (ES))
2006-12-15
This report presents and documents the thermodynamic database used in the assessment of the radionuclide solubility limits within the SR-Can Exercise. It is a supporting report to the solubility assessment. Thermodynamic data are reviewed for 20 radioelements from Groups A and B, lanthanides and actinides. The development of this database is partially based on the one prepared by PSI and NAGRA. Several changes, updates and checks for internal consistency and completeness to the reference NAGRA-PSI 01/01 database have been conducted when needed. These modifications are mainly related to the information from the various experimental programmes and scientific literature available until the end of 2003. Some of the discussions also refer to a previous database selection conducted by Enviros Spain on behalf of ANDRA, where the reader can find additional information. When possible, in order to optimize the robustness of the database, the description of the solubility of the different radionuclides calculated by using the reported thermodynamic database is tested in front of experimental data available in the open scientific literature. When necessary, different procedures to estimate gaps in the database have been followed, especially accounting for temperature corrections. All the methodologies followed are discussed in the main text
International Nuclear Information System (INIS)
Duro, L.; Grive, M.; Cera, E.; Domenech, C.; Bruno, J.
2006-12-01
This report presents and documents the thermodynamic database used in the assessment of the radionuclide solubility limits within the SR-Can Exercise. It is a supporting report to the solubility assessment. Thermodynamic data are reviewed for 20 radioelements from Groups A and B, lanthanides and actinides. The development of this database is partially based on the one prepared by PSI and NAGRA. Several changes, updates and checks for internal consistency and completeness to the reference NAGRA-PSI 01/01 database have been conducted when needed. These modifications are mainly related to the information from the various experimental programmes and scientific literature available until the end of 2003. Some of the discussions also refer to a previous database selection conducted by Enviros Spain on behalf of ANDRA, where the reader can find additional information. When possible, in order to optimize the robustness of the database, the description of the solubility of the different radionuclides calculated by using the reported thermodynamic database is tested in front of experimental data available in the open scientific literature. When necessary, different procedures to estimate gaps in the database have been followed, especially accounting for temperature corrections. All the methodologies followed are discussed in the main text
Approach to the thermodynamic limit in lattice QCD at μ≠0
International Nuclear Information System (INIS)
Splittorff, K.; Verbaarschot, J. J. M.
2008-01-01
The expectation value of the complex phase factor of the fermion determinant is computed to leading order in the p expansion of the chiral Lagrangian. The computation is valid for μ π /2 and determines the dependence of the sign problem on the volume and on the geometric shape of the volume. In the thermodynamic limit with L i →∞ at fixed temperature 1/L 0 , the average phase factor vanishes. In the low temperature limit where L i /L 0 is fixed as L i becomes large, the average phase factor approaches 1 for μ π /2. The results for a finite volume compare well with lattice results obtained by Allton et al. After taking appropriate limits, we reproduce previously derived results for the ε regime and for one-dimensional QCD. The distribution of the phase itself is also computed
Numerical investigation into the existence of limit cycles in two-dimensional predator�prey systems
Directory of Open Access Journals (Sweden)
Quay van der Hoff
2013-05-01
Full Text Available There has been a surge of interest in developing and analysing models of interacting species in ecosystems, with specific interest in investigating the existence of limit cycles in systems describing the dynamics of these species. The original Lotka–Volterra model does not possess any limit cycles. In recent years this model has been modified to take disturbances into consideration and allow populations to return to their original numbers. By introducing logistic growth and a Holling Type II functional response to the traditional Lotka–Volterra-type models, it has been proven analytically that a unique, stable limit cycle exists. These proofs make use of Dulac functions, Liénard equations and invariant regions, relying on theory developed by Poincaré, Poincaré-Bendixson, Dulac and Liénard, and are generally perceived as difficult. Computer algebra systems are ideally suited to apply numerical methods to confirm or refute the analytical findings with respect to the existence of limit cycles in non-linear systems. In this paper a class of predator–prey models of a Gause type is used as the vehicle to illustrate the use of a simple, yet novel numerical algorithm. This algorithm confirms graphically the existence of at least one limit cycle that has analytically been proven to exist. Furthermore, adapted versions of the proposed algorithm may be applied to dynamic systems where it is difficult, if not impossible, to prove analytically the existence of limit cycles.
Energy Technology Data Exchange (ETDEWEB)
Pogosov, W.V., E-mail: walter.pogosov@gmail.com [N.L. Dukhov All-Russia Research Institute of Automatics, Moscow (Russian Federation); Institute for Theoretical and Applied Electrodynamics, Russian Academy of Sciences, Moscow (Russian Federation); Moscow Institute of Physics and Technology, Dolgoprudny (Russian Federation); Shapiro, D.S. [N.L. Dukhov All-Russia Research Institute of Automatics, Moscow (Russian Federation); Moscow Institute of Physics and Technology, Dolgoprudny (Russian Federation); V.A. Kotel' nikov Institute of Radio Engineering and Electronics, Russian Academy of Sciences, Moscow (Russian Federation); National University of Science and Technology MISIS, Moscow (Russian Federation); Bork, L.V. [N.L. Dukhov All-Russia Research Institute of Automatics, Moscow (Russian Federation); Institute for Theoretical and Experimental Physics, Moscow (Russian Federation); Onishchenko, A.I. [Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, Dubna (Russian Federation); Moscow Institute of Physics and Technology, Dolgoprudny (Russian Federation); Skobeltsyn Institute of Nuclear Physics, Moscow State University, Moscow (Russian Federation)
2017-06-15
We consider an exactly solvable inhomogeneous Dicke model which describes an interaction between a disordered ensemble of two-level systems with single mode boson field. The existing method for evaluation of Richardson–Gaudin equations in the thermodynamical limit is extended to the case of Bethe equations in Dicke model. Using this extension, we present expressions both for the ground state and lowest excited states energies as well as leading-order finite-size corrections to these quantities for an arbitrary distribution of individual spin energies. We then evaluate these quantities for an equally-spaced distribution (constant density of states). In particular, we study evolution of the spectral gap and other related quantities. We also reveal regions on the phase diagram, where finite-size corrections are of particular importance.
Druhan, J. L.; Giannetta, M.; Sanford, R. A.
2017-12-01
In recent years, reactive transport principles have expanded from early applications, largely based in contaminant hydrology, to a wide range of biologically mediated redox environments including marine sedimentary diagenesis, terrestrial metal ore deposits, soils, and critical zone weathering profiles. A common observation across this diversity of systems is that they often function under energetically limited conditions in comparison to those typical of contaminated aquifers subject to engineered remediation techniques. As a result, the kinetic rate expressions traditionally employed within reactive transport frameworks to simulate microbially mediated redox transformations have required modification. This was recognized in a series of seminal papers by Jin and Bethke (2005, 2007) in which the authors expanded upon a Monod rate law to include a thermodynamic potential factor `Ft' which exerts a limitation on the overall rate based on the thermodynamic driving force of the electron transfer reaction. This new rate expression is now commonly implemented within many of the major reactive transport software packages, though appropriate application has yet to be thoroughly demonstrated. Notably, the characteristically large partitioning of stable isotopes during microbially mediated reactions, which is extensively utilized to identify and quantify these redox transformations, has yet to be simulated under conditions in which the Ft term may be expected to exert a significant mass dependent influence. Here, we develop a series of simplified simulations for the microbially mediated reduction of sulfate based on the datasets reported by Jin and Bethke, and apply appropriate mass-bias within the Ft term to consider the extent to which the resulting isotopic fractionation is consistent with that observed in energetically limited systems. We show that the Ft term can exert a significant influence on the observed fractionation factor under common environmental conditions
Brinson, Thomas E.; Kopasakis, George
2004-01-01
The Controls and Dynamics Technology Branch at NASA Glenn Research Center are interested in combining a solid oxide fuel cell (SOFC) to operate in conjunction with a gas turbine engine. A detailed engine model currently exists in the Matlab/Simulink environment. The idea is to incorporate a SOFC model within the turbine engine simulation and observe the hybrid system's performance. The fuel cell will be heated to its appropriate operating condition by the engine s combustor. Once the fuel cell is operating at its steady-state temperature, the gas burner will back down slowly until the engine is fully operating on the hot gases exhausted from the SOFC. The SOFC code is based on a steady-state model developed by The U.S. Department of Energy (DOE). In its current form, the DOE SOFC model exists in Microsoft Excel and uses Visual Basics to create an I-V (current-voltage) profile. For the project's application, the main issue with this model is that the gas path flow and fuel flow temperatures are used as input parameters instead of outputs. The objective is to create a SOFC model based on the DOE model that inputs the fuel cells flow rates and outputs temperature of the flow streams; therefore, creating a temperature profile as a function of fuel flow rate. This will be done by applying the First Law of Thermodynamics for a flow system to the fuel cell. Validation of this model will be done in two procedures. First, for a given flow rate the exit stream temperature will be calculated and compared to DOE SOFC temperature as a point comparison. Next, an I-V curve and temperature curve will be generated where the I-V curve will be compared with the DOE SOFC I-V curve. Matching I-V curves will suggest validation of the temperature curve because voltage is a function of temperature. Once the temperature profile is created and validated, the model will then be placed into the turbine engine simulation for system analysis.
Kleidon, Axel; Renner, Maik
2016-04-01
The soil-plant-atmosphere system is a complex system that is strongly shaped by interactions between the physical environment and vegetation. This complexity appears to demand equally as complex models to fully capture the dynamics of the coupled system. What we describe here is an alternative approach that is based on thermodynamics and which allows for comparatively simple formulations free of empirical parameters by assuming that the system is so complex that its emergent dynamics are only constrained by the thermodynamics of the system. This approach specifically makes use of the second law of thermodynamics, a fundamental physical law that is typically not being considered in Earth system science. Its relevance to land surface processes is that it fundamentally sets a direction as well as limits to energy conversions and associated rates of mass exchange, but it requires us to formulate land surface processes as thermodynamic processes that are driven by energy conversions. We describe an application of this approach to the surface energy balance partitioning at the diurnal scale. In this application the turbulent heat fluxes of sensible and latent heat are described as the result of a convective heat engine that is driven by solar radiative heating of the surface and that operates at its thermodynamic limit. The predicted fluxes from this approach compare very well to observations at several sites. This suggests that the turbulent exchange fluxes between the surface and the atmosphere operate at their thermodynamic limit, so that thermodynamics imposes a relevant constraint to the land surface-atmosphere system. Yet, thermodynamic limits do not entirely determine the soil-plant-atmosphere system because vegetation affects these limits, for instance by affecting the magnitude of surface heating by absorption of solar radiation in the canopy layer. These effects are likely to make the conditions at the land surface more favorable for photosynthetic activity
Wagner, Nina; Bosshart, Andreas; Failmezger, Jurek; Bechtold, Matthias; Panke, Sven
2015-03-27
Enzyme cascades combining epimerization and isomerization steps offer an attractive route for the generic production of rare sugars starting from accessible bulk sugars but suffer from the unfavorable position of the thermodynamic equilibrium, thus reducing the yield and requiring complex work-up procedures to separate pure product from the reaction mixture. Presented herein is the integration of a multienzyme cascade reaction with continuous chromatography, realized as simulated moving bed chromatography, to overcome the intrinsic yield limitation. Efficient production of D-psicose from sucrose in a three-step cascade reaction using invertase, D-xylose isomerase, and D-tagatose epimerase, via the intermediates D-glucose and D-fructose, is described. This set-up allowed the production of pure psicose (99.9%) with very high yields (89%) and high enzyme efficiency (300 g of D-psicose per g of enzyme). © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Self-synchronization of populations of nonlinear oscillators in the thermodynamic limit
International Nuclear Information System (INIS)
Bonilla, L.L.; Casado, J.M.; Morillo, M.
1987-01-01
A population of identical nonlinear oscillators, subject to random forces and coupled via a mean-field interaction, is studied in the thermodynamic limit. The model presents a nonequilibrium phase transition from a stationary to a time-periodic probability density. Below the transition line, the population of oscillators is in a quiescent state with order parameter equal to zero. Above the transition line, there is a state of collective rhythmicity characterized by a time-periodic behavior of the order parameter and all moments of the probability distribution. The information entropy of the ensemble is a constant both below and above the critical line. Analytical and numerical analyses of the model are provided
Mashaal, Heylal; Gordon, Jeffrey M.
2014-10-01
Solar rectifying antennas constitute a distinct solar power conversion paradigm where sunlight's spatial coherence is a basic constraining factor. In this presentation, we derive the fundamental thermodynamic limit for coherence-limited blackbody (principally solar) power conversion. Our results represent a natural extension of the eponymous Landsberg limit, originally derived for converters that are not constrained by the radiation's coherence, and are irradiated at maximum concentration (i.e., with a view factor of unity to the solar disk). We proceed by first expanding Landsberg's results to arbitrary solar view factor (i.e., arbitrary concentration and/or angular confinement), and then demonstrate how the results are modified when the converter can only process coherent radiation. The results are independent of the specific power conversion mechanism, and hence are valid for diffraction-limited as well as quantum converters (and not just classical heat engines or in the geometric optics regime). The derived upper bounds bode favorably for the potential of rectifying antennas as potentially high-efficiency solar converters.
Directory of Open Access Journals (Sweden)
Gerrit Pienaar
2015-12-01
Full Text Available It is an accepted principle in South African law that movable property acquired in an original way (by operation of law is not burdened by any limited real rights, as previous limited real rights are extinguished on the vesting of ownership (mobilia non habent sequelam. It is assumed by some South African writers that the same principles are applicable to the original acquisition of immovable property and that all existing limited real rights fall away on original acquisition of ownership. In this article the nature of limited real rights to immovable property is examined, and the notion that ownership is the "mother" right on which all limited real rights are based is scrutinised critically. The nature and establishment of limited real rights are used to distinguish between the essence and effect of limited real rights in the case of immovable property. The recognition of limited real rights as constitutional property is used as a further argument that limited real rights cannot be extinguished automatically by the original acquisition of immovable property, as such common law or statutory measures will constitute an arbitrary deprivation of property in terms of section 25 of the Constitution. The statutory provisions regarding limited real rights in the case of prescription and expropriation are then analysed as an indication that it is not a general principle that limited real rights are extinguished automatically on the original acquisition of ownership of immovable property.
Renner, Maik; Hassler, Sibylle K.; Blume, Theresa; Weiler, Markus; Hildebrandt, Anke; Guderle, Marcus; Schymanski, Stanislaus J.; Kleidon, Axel
2016-05-01
We combine ecohydrological observations of sap flow and soil moisture with thermodynamically constrained estimates of atmospheric evaporative demand to infer the dominant controls of forest transpiration in complex terrain. We hypothesize that daily variations in transpiration are dominated by variations in atmospheric demand, while site-specific controls, including limiting soil moisture, act on longer timescales. We test these hypotheses with data of a measurement setup consisting of five sites along a valley cross section in Luxembourg. Both hillslopes are covered by forest dominated by European beech (Fagus sylvatica L.). Two independent measurements are used to estimate stand transpiration: (i) sap flow and (ii) diurnal variations in soil moisture, which were used to estimate the daily root water uptake. Atmospheric evaporative demand is estimated through thermodynamically constrained evaporation, which only requires absorbed solar radiation and temperature as input data without any empirical parameters. Both transpiration estimates are strongly correlated to atmospheric demand at the daily timescale. We find that neither vapor pressure deficit nor wind speed add to the explained variance, supporting the idea that they are dependent variables on land-atmosphere exchange and the surface energy budget. Estimated stand transpiration was in a similar range at the north-facing and the south-facing hillslopes despite the different aspect and the largely different stand composition. We identified an inverse relationship between sap flux density and the site-average sapwood area per tree as estimated by the site forest inventories. This suggests that tree hydraulic adaptation can compensate for heterogeneous conditions. However, during dry summer periods differences in topographic factors and stand structure can cause spatially variable transpiration rates. We conclude that absorption of solar radiation at the surface forms a dominant control for turbulent heat and
Thermodynamics at work - on the limits and potentials of biogeochemical processes
Peiffer, Stefan
2017-04-01
The preferential use of high potential electron acceptors by microorganisms has lead to the classical concept of a redox sequence with a sequential use of O2 nitrate, Fe(III), sulfate, and finally CO2 as electron acceptors for respiration (Stumm & Morgan, 1996). Christian Blodau has rigourously applied this concept to constrain the thermodynamical limits at which specific aquatic systems operate. In sediments from acidic mining lakes his analysis revealed that sulfate reducers are not competitive as long as low-crystallinity ferric oxides are available for organic matter decomposition (Blodau et al, 1998). This analysis opened up the possibility to generalize the linkage between the iron and sulphur cycle in such systems and to constrain the biogeochemical limits for remediation (e. g. Peine et al, 2000). In a similar approach, Beer & Blodau (2007) were able to demonstrate that constraints on the removal of products from acetoclastic methanogenesis in deeper peat layers are inhibiting organic matter decomposition and provide a thermodynamic argument for peat accumulation. In this contribution I will review such ideas and further refine the limits and potentials of biogeochemical reactions in terms of redox-active metastable phases (RAMPS) that are typically mixed-valent carbon-, iron-, and sulfur-containing compounds and which allow for the occurrence of a number of enigmatic reactions, e. g. limited greenhouse gas emission (CH4) under dynamic redox conditions. It is proposed that redox equivalents are generated, stored and recycled during oxidation and reduction cycles thus suppressing methanogenesis (Blodau, 2002). Such RAMPS will preferentially occur at dynamic interfaces being exposed to frequent redox cycles. The concept of RAMPS will be illustrated along the interaction between ferric (hydr)oxides and dissolved sulphide. Recent studies using modern analytical tools revealed the formation of a number of amorphous products within a short time scale (days) both
Existence of 121 limit cycles in a perturbed planar polynomial Hamiltonian vector field of degree 11
International Nuclear Information System (INIS)
Wang, S.; Yu, P.
2006-01-01
In this article, a systematic procedure has been explored to studying general Z q -equivariant planar polynomial Hamiltonian vector fields for the maximal number of closed orbits and the maximal number of limit cycles after perturbation. Following the procedure by taking special consideration of Z 12 -equivariant vector fields of degree 11, the maximal of 99 closed orbits are obtained under a well-defined coefficient group. Consequently, perturbation parameter control in limit cycle computation leads to the existence of 121 limit cycles in the perturbed Hamiltonian vector field, which gives rise to the lower bound of Hilbert number of 11th-order systems as H(11) ≥ 11 2 . Two conjectures are proposed regarding the maximal number of closed orbits for equivariant polynomial Hamiltonian vector fields and the maximal number of limit cycles bifurcated from the well defined Hamiltonian vector fields after perturbation
Thermodynamic limit of particle-hole form factors in the massless XXZ Heisenberg chain
Energy Technology Data Exchange (ETDEWEB)
Kitanine, N. [Univ. de Bourgogne (France). IMB, UMR 5584 du CNRS; Kozlowski, K.K. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Maillet, J.M.; Terras, V. [ENS Lyon (France). UMR 5672 du CNRS, Lab. de Physique; Slavnov, N.A. [Steklov Mathematical Inst., Moscow (Russian Federation)
2011-03-15
We study the thermodynamic limit of the particle-hole form factors of the XXZ Heisenberg chain in the massless regime. We show that, in this limit, such form factors decrease as an explicitly computed power-law in the system size. Moreover, the corresponding amplitudes can be obtained as a product of a ''smooth'' and a ''discrete'' part: the former depends continuously on the rapidities of the particles and holes, whereas the latter has an additional explicit dependence on the set of integer numbers that label each excited state in the associated logarithmic Bethe equations. We also show that special form factors corresponding to zero-energy excitations lying on the Fermi surface decrease as a power-law in the system size with the same critical exponents as in the longdistance asymptotic behavior of the related two-point correlation functions. The methods we develop in this article are rather general and can be applied to other massless integrable models associated to the six-vertex R-matrix and having determinant representations for their form factors. (orig.)
Rohrlich, Daniel
Y. Aharonov and A. Shimony both conjectured that two axioms - relativistic causality (``no superluminal signalling'') and nonlocality - so nearly contradict each other that only quantum mechanics reconciles them. Can we indeed derive quantum mechanics, at least in part, from these two axioms? No: ``PR-box'' correlations show that quantum correlations are not the most nonlocal correlations consistent with relativistic causality. Here we replace ``nonlocality'' with ``retrocausality'' and supplement the axioms of relativistic causality and retrocausality with a natural and minimal third axiom: the existence of a classical limit, in which macroscopic observables commute. That is, just as quantum mechanics has a classical limit, so must any generalization of quantum mechanics. In this limit, PR-box correlations violaterelativistic causality. Generalized to all stronger-than-quantum bipartite correlations, this result is a derivation of Tsirelson's bound (a theorem of quantum mechanics) from the three axioms of relativistic causality, retrocausality and the existence of a classical limit. Although the derivation does not assume quantum mechanics, it points to the Hilbert space structure that underlies quantum correlations. I thank the John Templeton Foundation (Project ID 43297) and the Israel Science Foundation (Grant No. 1190/13) for support.
Principles of Considering the Effect of the Limited Volume of a System on Its Thermodynamic State
Tovbin, Yu. K.
2018-01-01
The features of a system with a finite volume that affect its thermodynamic state are considered in comparison to describing small bodies in macroscopic phases. Equations for unary and pair distribution functions are obtained using difference derivatives of a discrete statistical sum. The structure of the equation for the free energy of a system consisting of an ensemble of volume-limited regions with different sizes and a full set of equations describing a macroscopic polydisperse system are discussed. It is found that the equations can be applied to molecular adsorption on small faces of microcrystals, to bound and isolated pores of a polydisperse material, and to describe the spinodal decomposition of a fluid in brief periods of time and high supersaturations of the bulk phase when each local region functions the same on average. It is shown that as the size of a system diminishes, corrections must be introduced for the finiteness of the system volume and fluctuations of the unary and pair distribution functions.
Application of Enzyme Coupling Reactions to Shift Thermodynamically Limited Biocatalytic Reactions
DEFF Research Database (Denmark)
Abu, Rohana; Woodley, John M.
2015-01-01
, it can be challenging to combine several engineered enzymes in vitro for the conversion of non-natural substrates. In this mini-review we focus on enzyme coupling reactions as a tool to alleviate thermodynamic constraints in synthetically useful biocatalytic reactions. The implications of thermodynamic...... shift the equilibrium of otherwise thermodynamically unfavourable reactions to give a higher conversion of the target product. By coupling an energetically unfavourable reaction with a more favourable one, the multi-enzyme cascade mimics the approach taken in nature in metabolic pathways. Nevertheless...
Existence of the passage to the limit of an inviscid fluid.
Goldobin, Denis S
2017-11-24
In the dynamics of a viscous fluid, the case of vanishing kinematic viscosity is actually equivalent to the Reynolds number tending to infinity. Hence, in the limit of vanishing viscosity the fluid flow is essentially turbulent. On the other hand, the Euler equation, which is conventionally adopted for the description of the flow of an inviscid fluid, does not possess proper turbulent behaviour. This raises the question of the existence of the passage to the limit of an inviscid fluid for real low-viscosity fluids. To address this question, one should employ the theory of turbulent boundary layer near an inflexible boundary (e.g., rigid wall). On the basis of this theory, one can see how the solutions to the Euler equation become relevant for the description of the flow of low-viscosity fluids, and obtain the small parameter quantifying accuracy of this description for real fluids.
[Exists an Obligation to be Healthy? Ethical Limits of Medical Prevention].
Arntz, K
2016-02-01
An obligation to be healthy in the sauce of a categorical imperative "You shall change your life!" (P. Sloterdijk) does not exist. There is however a moral responsibility to shape ones own life in such a way that the resulting potentials for development can be realized within one owns possibilities (I. Kant). The example of predictive medicine illustrates, why the right not to know can be a responsible way of self governance when dealing with the knowledge of modern biomedicine. This allows the setting of limits within prevention, which preserve the quality of life of the exposed as well as enabling the individual the "acceptance of self" (R. Guardini). © Georg Thieme Verlag KG Stuttgart · New York.
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.)
2010-07-01
... 40 Protection of Environment 8 2010-07-01 2010-07-01 false Carbon Monoxide Emission Limits for Existing Small Municipal Waste Combustion Units 5 Table 5 to Subpart JJJ of Part 62 Protection of... of Part 62—Carbon Monoxide Emission Limits for Existing Small Municipal Waste Combustion Units...
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.
Tomar, Dheeraj S; Weber, Valéry; Pettitt, B Montgomery; Asthagiri, D
2014-04-17
The hydration thermodynamics of the amino acid X relative to the reference G (glycine) or the hydration thermodynamics of a small-molecule analog of the side chain of X is often used to model the contribution of X to protein stability and solution thermodynamics. We consider the reasons for successes and limitations of this approach by calculating and comparing the conditional excess free energy, enthalpy, and entropy of hydration of the isoleucine side chain in zwitterionic isoleucine, in extended penta-peptides, and in helical deca-peptides. Butane in gauche conformation serves as a small-molecule analog for the isoleucine side chain. Parsing the hydrophobic and hydrophilic contributions to hydration for the side chain shows that both of these aspects of hydration are context-sensitive. Furthermore, analyzing the solute-solvent interaction contribution to the conditional excess enthalpy of the side chain shows that what is nominally considered a property of the side chain includes entirely nonobvious contributions of the background. The context-sensitivity of hydrophobic and hydrophilic hydration and the conflation of background contributions with energetics attributed to the side chain limit the ability of a single scaling factor, such as the fractional solvent exposure of the group in the protein, to map the component energetic contributions of the model-compound data to their value in the protein. But ignoring the origin of cancellations in the underlying components the group-transfer model may appear to provide a reasonable estimate of the free energy for a given error tolerance.
Boukobza, E.; Ritsch, H.
2013-06-01
The Carnot limit, formulated in 1824, represents the maximal efficiency of a classical heat engine. In this work we present a thermodynamical analysis of a light amplifier based on a three-level atom coupled off-resonantly to a single quantized cavity mode and to two heat reservoirs with positive temperatures. Based on standard work and heat flow equilibrium, we show that for a cavity blue-detuned with respect to the atomic resonance, the system can surpass the Carnot limit. Nevertheless, the second law of thermodynamics is still obeyed, as the total entropy always increases. By analyzing a semiclassical version of the model, we derive a formula for the critical frequency for which the Carnot limit is broken and a formula for the amplifier efficiency which agrees with its quantum counterpart. In the semiclassical regime, however, the second law is not satisfied and hence it does not offer a physically acceptable description of the system. Finally, we show that breaking the Carnot limit occurs also in a blue-detuned quantum amplifier with output coupling, which represents a realistic model of a laser or maser.
International Nuclear Information System (INIS)
Xiong Gang; Wang, X.R.
2005-01-01
The zero-temperature transmission rate spectrum of a double-chain tight-binding model for real DNA is calculated. It is shown that a band of extended-like states exists only for finite chain length with strong inter-chain coupling. While the whole spectrum tends to zero in thermodynamic limit, regardless of the strength of inter-chain coupling. It is also shown that a more faithful model for real DNA with periodic sugar-phosphate chains in backbone structures can be mapped into the above simple double-chain tight-binding model. Combined with above results, the transmission rate of real DNA with long random sequence of nucleotides is expected to be poor
Neutron star mass limit at 2M{sub ⊙} supports the existence of a CEP
Energy Technology Data Exchange (ETDEWEB)
Alvarez-Castillo, D. [JINR Dubna, Bogoliubov Laboratory of Theoretical Physics, Dubna (Russian Federation); Benic, S. [University of Zagreb, Department of Physics, Zagreb (Croatia); Blaschke, D. [JINR Dubna, Bogoliubov Laboratory of Theoretical Physics, Dubna (Russian Federation); National Research Nuclear University (MEPhI), Moscow (Russian Federation); University of Wroclaw, Institute of Theoretical Physics, Wroclaw (Poland); Han, Sophia [University of Tennessee, Department of Physics and Astronomy, Knoxville, TN (United States); Oak Ridge National Laboratory, Physics Division, Oak Ridge, TN (United States); Typel, S. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany)
2016-08-15
We point out that the very existence of a ''horizontal branch'' in the mass-radius characteristics for neutron stars indicates a strong first-order phase transition and thus supports the existence of a critical endpoint (CEP) of first-order phase transitions in the QCD phase diagram. This branch would sample a sequence of hybrid stars with quark matter core, leading to the endpoint of stable compact star configurations with the highest possible baryon densities. Since we know of the existence of compact stars with 2M{sub ⊙}, this hypothetical branch has to lie in the vicinity of this mass value, if it exists. We report here a correlation between the maximal radius of the horizontal branch and the pressure at the onset of hadron-to-quark matter phase transition, which is likely to be a universal quantity of utmost relevance to the upcoming experiments with heavy-ion collisions at NICA and FAIR. (orig.)
The Optimal Progressive Income Tax -- The Existence and the Limit Tax Rates
Mamoru Kaneko
1981-01-01
The purpose of this paper is to consider the problem of optimal income taxation in the domain of progressive (convex) income tax function. This paper proves the existence of an optimal tax function and that the optimal marginal and average tax rates tend asymptotically to 100 percent as income level becomes arbitrarily high.
Electron-positron bremsstrahlung at ADONE. A new limit for the existence of a heavy electron
International Nuclear Information System (INIS)
Bacci, C.; Zorzi, G. de; Penso, G.; Stella, B.; Baldini-Celio, R.; Capon, G.; Fabbro, R. del; Grilli, M.; Grillo, A.F.; Iarocci, E.; Mencuccini, C.; Murtas, G.P.; Spinetti, M.; Valente, V.
1977-01-01
A new measurement of the cross section for the reaction e + e - →e + e - γ has been performed at the ADONE storage ring, using a wide angle electromagnetic detector together with tagging counters for detecting small-angle electrons. The results are in agreement with the QED predictions. New limits for the mass and coupling constant (e*, eγ) of a heavy electron, e*, have been established. (Auth.)
Winnick, Matthew J.; Maher, Kate
2018-03-01
Recent studies have suggested that thermodynamic limitations on chemical weathering rates exert a first-order control on riverine solute fluxes and by extension, global chemical weathering rates. As such, these limitations may play a prominent role in the regulation of carbon dioxide levels (pCO2) over geologic timescales by constraining the maximum global weathering flux. In this study, we develop a theoretical scaling relationship between equilibrium solute concentrations and pCO2 based on equilibrium constants and reaction stoichiometry relating primary mineral dissolution and secondary mineral precipitation. We test this theoretical scaling relationship against reactive transport simulations of chemical weathering profiles under open- and closed-system conditions, representing partially and fully water-saturated regolith, respectively. Under open-system conditions, equilibrium bicarbonate concentrations vary as a power-law function of pCO2 (y = kxn) where n is dependent on reaction stoichiometry and k is dependent on both reaction stoichiometry and the equilibrium constant. Under closed-system conditions, bicarbonate concentrations vary linearly with pCO2 at low values and approach open-system scaling at high pCO2. To describe the potential role of thermodynamic limitations in the global silicate weathering feedback, we develop a new mathematical framework to assess weathering feedback strength in terms of both (1) steady-state atmospheric pCO2 concentrations, and (2) susceptibility to secular changes in degassing rates and transient carbon cycle perturbations, which we term 1st and 2nd order feedback strength, respectively. Finally, we discuss the implications of these results for the effects of vascular land plant evolution on feedback strength, the potential role of vegetation in controlling modern solute fluxes, and the application of these frameworks to a more complete functional description of the silicate weathering feedback. Most notably, the dependence
Improved Limits On The Existence Of Dark Matter. The Final Results From The PICASSO Experiment
Kamaha, Alvine Christelle
The final results of the PICASSO experiment, with 409 kg days of exposure collected from November 2012 to January 2014, have yielded new limits for Spin-Dependent and Spin-Independent Dark Matter interactions. The data collected and the various backgrounds were assiduously studied using Monte Carlo simulations and a new set of sophisticated analysis techniques including the wavelet analysis presented in this thesis. In general, a good suppression of most backgrounds was attained. The neutron background event rate was reduced to about a factor of 10 compared to the previous phase of the experiment. Electronic and acoustic noise events were thoroughly suppressed. A new class of "mystery events" were removed as well. All that remained was the irreducible alpha background. No signal consistent with a WIMP Dark Matter hypothesis was observed. Consequently, an exclusion curve was obtained with a minimum limit at 90% C.L. of sigmaSDchip = 0.0228 pb at a WIMP mass of 20 GeV/c2 in the Spin-Dependent sector. By combining results from 2012 and the current results, an improved constraint of sigmaSDchip (90% C.L.) = 0.0188 pb at 20 GeV/c2 was placed on the Dark Matter interaction with protons in the Fluorine nuclei used in the detectors. In addition, the new limits on WIMP-proton interactions in the Spin Independent sector exclude the DAMA/LIBRA results (at 90% C.L.) for low masses below 12 GeV/c2 and further constrain the published CRESST and CDMS Si discovery regions at low WIMP masses.
Chaos, scaling and existence of a continuum limit in classical non-Abelian lattice gauge theory
International Nuclear Information System (INIS)
Nielsen, H.B.; Rugh, H.H.; Rugh, S.E.
1996-01-01
We discuss space-time chaos and scaling properties for classical non-Abelian gauge fields discretized on a spatial lattice. We emphasize that there is a open-quote no goclose quotes for simulating the original continuum classical gauge fields over a long time span since there is a never ending dynamical cascading towards the ultraviolet. We note that the temporal chaotic properties of the original continuum gauge fields and the lattice gauge system have entirely different scaling properties thereby emphasizing that they are entirely different dynamical systems which have only very little in common. Considered as a statistical system in its own right the lattice gauge system in a situation where it has reached equilibrium comes closest to what could be termed a open-quotes continuum limitclose quotes in the limit of very small energies (weak non-linearities). We discuss the lattice system both in the limit for small energies and in the limit of high energies where we show that there is a saturation of the temporal chaos as a pure lattice artifact. Our discussion focuses not only on the temporal correlations but to a large extent also on the spatial correlations in the lattice system. We argue that various conclusions of physics have been based on monitoring the non-Abelian lattice system in regimes where the fields are correlated over few lattice units only. This is further evidenced by comparison with results for Abelian lattice gauge theory. How the real time simulations of the classical lattice gauge theory may reach contact with the real time evolution of (semi-classical aspects of) the quantum gauge theory (e.g. Q.C.D.) is left an important question to be further examined
Palacios, Patricia
2018-05-01
In this paper, I compare the use of the thermodynamic limit in the theory of phase transitions with the infinite-time limit in the explanation of equilibrium statistical mechanics. In the case of phase transitions, I will argue that the thermodynamic limit can be justified pragmatically since the limit behavior (i) also arises before we get to the limit and (ii) for values of N that are physically significant. However, I will contend that the justification of the infinite-time limit is less straightforward. In fact, I will point out that even in cases where one can recover the limit behavior for finite t, i.e. before we get to the limit, one cannot recover this behavior for realistic time scales. I will claim that this leads us to reconsider the role that the rate of convergence plays in the justification of infinite limits and calls for a revision of the so-called Butterfield's principle.
Palacios, Patricia
2018-04-01
In this paper, I compare the use of the thermodynamic limit in the theory of phase transitions with the infinite-time limit in the explanation of equilibrium statistical mechanics. In the case of phase transitions, I will argue that the thermodynamic limit can be justified pragmatically since the limit behavior (i) also arises before we get to the limit and (ii) for values of N that are physically significant. However, I will contend that the justification of the infinite-time limit is less straightforward. In fact, I will point out that even in cases where one can recover the limit behavior for finite t, i.e. before we get to the limit, one cannot recover this behavior for realistic time scales. I will claim that this leads us to reconsider the role that the rate of convergence plays in the justification of infinite limits and calls for a revision of the so-called Butterfield's principle.
DEFF Research Database (Denmark)
Bhowmik, Arghya; Vegge, Tejs; Hansen, Heine Anton
2016-01-01
A detailed understanding of the electrochemical reduction of CO2 into liquid fuels on rutile metal oxide surfaces is developed by using DFT calculations. We consider oxide overlayer structures on RuO2(1 1 0) surfaces as model catalysts to elucidate the trends and limitations in the CO2 reduction...... and it defines the left leg of the activity volcano for CO2RR. HCOOH* is a key intermediate for products formed through further reduction, for example, methanediol, methanol, and methane. The surfaces that do not bind HCOOH* are selective towards formic acid (HCOOH) production, but hydrogen evolution limits...
Gene set analysis: limitations in popular existing methods and proposed improvements.
Mishra, Pashupati; Törönen, Petri; Leino, Yrjö; Holm, Liisa
2014-10-01
Gene set analysis is the analysis of a set of genes that collectively contribute to a biological process. Most popular gene set analysis methods are based on empirical P-value that requires large number of permutations. Despite numerous gene set analysis methods developed in the past decade, the most popular methods still suffer from serious limitations. We present a gene set analysis method (mGSZ) based on Gene Set Z-scoring function (GSZ) and asymptotic P-values. Asymptotic P-value calculation requires fewer permutations, and thus speeds up the gene set analysis process. We compare the GSZ-scoring function with seven popular gene set scoring functions and show that GSZ stands out as the best scoring function. In addition, we show improved performance of the GSA method when the max-mean statistics is replaced by the GSZ scoring function. We demonstrate the importance of both gene and sample permutations by showing the consequences in the absence of one or the other. A comparison of asymptotic and empirical methods of P-value estimation demonstrates a clear advantage of asymptotic P-value over empirical P-value. We show that mGSZ outperforms the state-of-the-art methods based on two different evaluations. We compared mGSZ results with permutation and rotation tests and show that rotation does not improve our asymptotic P-values. We also propose well-known asymptotic distribution models for three of the compared methods. mGSZ is available as R package from cran.r-project.org. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.
2010-07-01
... Small Municipal Waste Combustion Unitsa 4 Table 4 to Subpart JJJ of Part 62 Protection of Environment... Combustion Units Constructed on or Before August 30, 1999 Pt. 62, Subpt. JJJ, Table 4 Table 4 to Subpart JJJ of Part 62—Class II Emission Limits for Existing Small Municipal Waste Combustion Unitsa ER31JA03.009...
Thermodynamics of a Fermi liquid beyond the low-energy limit
International Nuclear Information System (INIS)
Chubukov, A.V.; Maslov, D.L.; Gangadharaiah, S.; Glazman, L.I.
2005-05-01
We consider the non-analytic temperature dependences of the specific heat coefficient, C(T)/T and spin susceptibility, X s (T), of 2D interacting fermions beyond the weak-coupling limit. We demonstrate within the Luttinger-Ward formalism that the leading temperature dependences of C(T)/T and X s (T) are linear in T, and are described by the Fermi liquid theory. We show that these temperature dependences are universally determined by the states near the Fermi level and, for a generic interaction, are expressed via the spin and charge components of the exact backscattering amplitude of quasi- particles. We compare our theory to recent experiments on monolayers of He 3 . (author)
International Nuclear Information System (INIS)
Castellanos, Víctor; Chan-López, Ramón E.
2017-01-01
In this paper we analyze a three level trophic chain model, considering a logistic growth for the lowest trophic level, a Lotka–Volterra and Holling type II functional responses for predators in the middle and in the cusp in the chain, respectively. The differential system is based on the Leslie–Gower scheme. We establish conditions on the parameters that guarantee the coexistence of populations in the habitat. We find that an Andronov–Hopf bifurcation takes place. The first Lyapunov coefficient is computed explicitly and we show the existence of a stable limit cycle. Numerically, we observe a strange attractor and there exist evidence of the model to exhibit chaotic dynamics.
Thermodynamic approach to biomass gasification
International Nuclear Information System (INIS)
Boissonnet, G.; Seiler, J.M.
2003-01-01
The document presents an approach of biomass transformation in presence of steam, hydrogen or oxygen. Calculation results based on thermodynamic equilibrium are discussed. The objective of gasification techniques is to increase the gas content in CO and H 2 . The maximum content in these gases is obtained when thermodynamic equilibrium is approached. Any optimisation action of a process. will, thus, tend to approach thermodynamic equilibrium conditions. On the other hand, such calculations can be used to determine the conditions which lead to an increase in the production of CO and H 2 . An objective is also to determine transformation enthalpies that are an important input for process calculations. Various existing processes are assessed, and associated thermodynamic limitations are evidenced. (author)
Directory of Open Access Journals (Sweden)
Dario De Domenico
2018-01-01
Full Text Available Existing civil engineering structures having strategic importance, such as hospitals, fire stations, and power plants, often do not comply with seismic standards in force today, as they were designed and built based on past structural guidelines. On the other hand, due to their special importance, structural integrity of such buildings is of vital importance during and after earthquakes, which puts demands on strategies for their seismic protection. In this regard, seismic base isolation has been widely employed; however, the existing limited seismic joint between adjacent buildings may hamper this application because of the large displacements concentrated at the isolation floor. In this paper, we compare two possible remedies: the former is to provide supplemental damping in conventional base isolation systems and the latter consists in a combination of base isolation with supplemental rotational inertia. For the second strategy, a mechanical device, called inerter, is arranged in series with spring and dashpot elements to form the so-called tuned-mass-damper-inerter (TMDI directly connected to an isolation floor. Several advantages of this second system as compared to the first one are outlined, especially with regard to the limitation of floor accelerations and interstory drifts, which may be an issue for nonstructural elements and equipment, in addition to disturbing occupants. Once the optimal design of the TMDI is established, possible implementation of this system into existing structures is discussed.
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)
Gabadadze, Gregory; Shifman, Mikhail
2000-01-01
A number of arguments exists that the ''minimal'' Bogomol'nyi-Prasad-Sommerfeld (BPS) wall width in large-N supersymmetric gluodynamics vanishes as 1/N. There is a certain tension between this assertion and the fact that the mesons coupled to λλ have masses O(N 0 ). To reconcile these facts we argue that there should exist additional solitonlike states with masses scaling as N. The BPS walls must be ''made'' predominantly of these heavy states which are coupled to λλ stronger than the conventional mesons. The tension of the BPS wall junction scales as N 2 , which serves as an additional argument in favor of the 1/N scaling of the wall width. The heavy states can be thought of as solitons of the corresponding closed string theory. They are related to certain fivebranes in the M-theory construction. We study the issue of the wall width in toy models which capture some features of supersymmetric gluodynamics. We speculate that the special hadrons with mass scaling as N should also exist in the large-N limit of nonsupersymmetric gluodynamics. (c) 2000 The American Physical Society
Buoncristiani, A. M.; Smith, B. T.; Byvik, C. E.
1982-01-01
Using general thermodynamic arguments, we analyze the conversion of the energy contained in the radiation from a blackbody to useful work by a quantum system. We show that the energy available for conversion is bounded above by the change in free energy in the incident and reradiated fields and that this free energy change depends upon the temperature of the receiving device. Universal efficiency curves giving the ultimate thermodynamic conversion efficiency of the quantum system are presented in terms of the blackbody temperature and the temperature and threshold energy of the quantum system. Application of these results is made to a variety of systems including biological photosynthetic, photovoltaic, and photoelectrochemical systems.
Graham, Emily B.; Tfaily, Malak M.; Crump, Alex R.; Goldman, Amy E.; Bramer, Lisa M.; Arntzen, Evan; Romero, Elvira; Resch, C. Tom; Kennedy, David W.; Stegen, James C.
2017-12-01
In light of increasing terrestrial carbon (C) transport across aquatic boundaries, the mechanisms governing organic carbon (OC) oxidation along terrestrial-aquatic interfaces are crucial to future climate predictions. Here we investigate the biochemistry, metabolic pathways, and thermodynamics corresponding to OC oxidation in the Columbia River corridor using ultrahigh-resolution C characterization. We leverage natural vegetative differences to encompass variation in terrestrial C inputs. Our results suggest that decreases in terrestrial C deposition associated with diminished riparian vegetation induce oxidation of physically bound OC. We also find that contrasting metabolic pathways oxidize OC in the presence and absence of vegetation and—in direct conflict with the "priming" concept—that inputs of water-soluble and thermodynamically favorable terrestrial OC protect bound-OC from oxidation. In both environments, the most thermodynamically favorable compounds appear to be preferentially oxidized regardless of which OC pool microbiomes metabolize. In turn, we suggest that the extent of riparian vegetation causes sediment microbiomes to locally adapt to oxidize a particular pool of OC but that common thermodynamic principles govern the oxidation of each pool (i.e., water-soluble or physically bound). Finally, we propose a mechanistic conceptualization of OC oxidation along terrestrial-aquatic interfaces that can be used to model heterogeneous patterns of OC loss under changing land cover distributions.
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.
Anderl, Jeff N; Zahller, Jeff; Roe, Frank; Stewart, Philip S
2003-04-01
Biofilms formed by Klebsiella pneumoniae resisted killing during prolonged exposure to ampicillin or ciprofloxacin even though these agents have been shown to penetrate bacterial aggregates. Bacteria dispersed from biofilms into medium quickly regained most of their susceptibility. Experiments with free-floating bacteria showed that stationary-phase bacteria were protected from killing by either antibiotic, especially when the test was performed in medium lacking carbon and nitrogen sources. These results suggested that the antibiotic tolerance of biofilm bacteria could be explained by nutrient limitation in the biofilm leading to stationary-phase existence of at least some of the cells in the biofilm. This mechanism was supported by experimental characterization of nutrient availability and growth status in biofilms. The average specific growth rate of bacteria in biofilms was only 0.032 h(-1) compared to the specific growth rate of planktonic bacteria of 0.59 h(-1) measured in the same medium. Glucose did not penetrate all the way through the biofilm, and oxygen was shown to penetrate only into the upper 100 micro m. The specific catalase activity was elevated in biofilm bacteria to a level similar to that of stationary-phase planktonic cells. Transmission electron microscopy revealed that bacteria were affected by ampicillin near the periphery of the biofilm but were not affected in the interior. Taken together, these results indicate that K. pneumoniae in this system experience nutrient limitation locally within the biofilm, leading to zones in which the bacteria enter stationary phase and are growing slowly or not at all. In these inactive regions, bacteria are less susceptible to killing by antibiotics.
2010-07-01
..., and Reconstructed Spark Ignition, 4SRB Stationary RICE >500 HP Located at a Major Source of HAP... Limitations for Existing, New, and Reconstructed Spark Ignition, 4SRB Stationary RICE >500 HP Located at a... emission limitations for existing, new and reconstructed 4SRB stationary RICE at 100 percent load plus or...
2010-07-01
..., New, and Reconstructed Spark Ignition, 4SRB Stationary RICE >500 HP Located at a Major Source of HAP... Limitations for Existing, New, and Reconstructed Spark Ignition, 4SRB Stationary RICE >500 HP Located at a... following operating emission limitations for existing, new and reconstructed 4SRB stationary RICE >500 HP...
Leng, Ling; Yang, Peixian; Singh, Shubham; Zhuang, Huichuan; Xu, Linji; Chen, Wen-Hsing; Dolfing, Jan; Li, Dong; Zhang, Yan; Zeng, Huiping; Chu, Wei; Lee, Po-Heng
2018-01-01
The exploration of the energetics of anaerobic digestion systems can reveal how microorganisms cooperate efficiently for cell growth and methane production, especially under low-substrate conditions. The establishment of a thermodynamically interdependent partnership, called anaerobic syntrophy, allows unfavorable reactions to proceed. Interspecies electron transfer and the concentrations of electron carriers are crucial for maintaining this mutualistic activity. This critical review summarizes the functional microorganisms and syntroph partners, particularly in the metabolic pathways and energy conservation of syntrophs. The kinetics and thermodynamics of propionate degradation to methane, reversibility of the acetate oxidation process, and estimation of microbial growth are summarized. The various routes of interspecies electron transfer, reverse electron transfer, and Poly-β-hydroxyalkanoate formation in the syntrophic community are also reviewed. Finally, promising and critical directions of future research are proposed. Fundamental insight in the activities and interactions involved in AD systems could serve as a guidance for engineered systems optimization and upgrade. Copyright © 2017 Elsevier Ltd. All rights reserved.
Xu, H.; Kevrekidis, P. G.; Kapitula, T.
2017-06-01
In the present work, we consider a variety of two-component, one-dimensional states in nonlinear Schrödinger equations in the presence of a parabolic trap, inspired by the atomic physics context of Bose-Einstein condensates. The use of Lyapunov-Schmidt reduction methods allows us to identify persistence criteria for the different families of solutions which we classify as (m, n), in accordance with the number of zeros in each component. Upon developing the existence theory, we turn to a stability analysis of the different configurations, using the Krein signature and the Hamiltonian-Krein index as topological tools identifying the number of potentially unstable eigendirections for each branch. A perturbation expansion for the eigenvalue problems associated with nonlinear states found near the linear limit permits us to obtain explicit asymptotic expressions for the eigenvalues. Finally, when the states are found to be unstable, typically by virtue of Hamiltonian Hopf bifurcations, their dynamics is studied in order to identify the nature of the respective instability. The dynamics is generally found to lead to a vibrational evolution over long time scales.
2010-07-01
... if I own or operate an existing stationary CI RICE with a site rating of equal to or less than 500....6602 What emission limitations must I meet if I own or operate an existing stationary CI RICE with a... own or operate an existing stationary CI RICE with a site rating of equal to or less than 500 brake HP...
International Nuclear Information System (INIS)
Zakeri, Behnam; Syri, Sanna; Rinne, Samuli
2015-01-01
Finland is to increase the share of RES (renewable energy sources) up to 38% in final energy consumption by 2020. While benefiting from local biomass resources Finnish energy system is deemed to achieve this goal, increasing the share of other intermittent renewables is under development, namely wind power and solar energy. Yet the maximum flexibility of the existing energy system in integration of renewable energy is not investigated, which is an important step before undertaking new renewable energy obligations. This study aims at filling this gap by hourly analysis and comprehensive modeling of the energy system including electricity, heat, and transportation, by employing EnergyPLAN tool. Focusing on technical and economic implications, we assess the maximum potential of different RESs separately (including bioenergy, hydropower, wind power, solar heating and PV, and heat pumps), as well as an optimal mix of different technologies. Furthermore, we propose a new index for assessing the maximum flexibility of energy systems in absorbing variable renewable energy. The results demonstrate that wind energy can be harvested at maximum levels of 18–19% of annual power demand (approx. 16 TWh/a), without major enhancements in the flexibility of energy infrastructure. With today's energy demand, the maximum feasible renewable energy for Finland is around 44–50% by an optimal mix of different technologies, which promises 35% reduction in carbon emissions from 2012's level. Moreover, Finnish energy system is flexible to augment the share of renewables in gross electricity consumption up to 69–72%, at maximum. Higher shares of RES calls for lower energy consumption (energy efficiency) and more flexibility in balancing energy supply and consumption (e.g. by energy storage). - Highlights: • By hourly analysis, we model the whole energy system of Finland. • With existing energy infrastructure, RES (renewable energy sources) in primary energy cannot go beyond 50%.
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.
Peller, L
1977-02-08
The free-energy change of phosphodiester bond formation from nucleoside triphosphates is more favorable than with nucleoside diphosphates as substrates. Base-stacking interactions can make significant contributions to both delta G degrees ' values. Pyrophosphate hydrolysis when it accompanies the former reaction dominates all thermodynamic considerations. Three experimental situations are discussed in which high-molecular-weight polynucleotides are synthesized without a strong driving force for covalent bond formation. For one of these, a kinetic scheme is presented which encompasses an early narrow Poisson distribution of chain lengths with ultimate passage to a disperse equilibrium population of chain sizes. Hydrolytic removal of pyrophosphate expands the time scale for this undesirable process by a factor of 10(9), while it enormously elevates the thermodynamic ceiling for the average degrees of polymerization in the other two examples. The electron micrographically revealed broad size population from an early study of partial replication of a T7 DNA template is found to adhere (fortuitously) to a disperse most probable representation. Some possible origins are examined for the branched structures in this product, as well as in a later investigation of replication of this nucleic acid. The achievement of both very high molecular weights and sharply peaked size distributions in polynucleotides synthesized in vitro will require coupling to inorganic pyrophosphatase action as in vivo.
2010-07-01
... Reconstructed and Existing Affected Sources in the Printing, Coating and Dyeing of Fabrics and Other Textiles... SOURCE CATEGORIES National Emission Standards for Hazardous Air Pollutants: Printing, Coating, and Dyeing...—Emission Limits for New or Reconstructed and Existing Affected Sources in the Printing, Coating and Dyeing...
2010-07-01
... Existing Small Municipal Waste Combustion Unit a 4 Table 4 to Subpart BBBB of Part 60 Protection of... NEW STATIONARY SOURCES Emission Guidelines and Compliance Times for Small Municipal Waste Combustion... Part 60—Model Rule—Class II Emission Limits for Existing Small Municipal Waste Combustion Unit a For...
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)
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
2010-07-01
... Emission Limits for Existing Small Municipal Waste Combustion Unitsa,b,c 3 Table 3 to Subpart BBBB of Part... Municipal Waste Combustion Units Constructed on or Before August 30, 1999 Pt. 60, Subpt. BBBB, Table 3 Table... Municipal Waste Combustion Unitsa,b,c Municipal waste combustion technology Limits for class I municipal...
Energy Technology Data Exchange (ETDEWEB)
Bacci, C; Baldini-Celio, R; Capon, G
1973-06-06
The cross section for the reaction e/sup +/ + e/sup -/ yields e/sup +/ + e/sup / + gamma was measured at the Adone storage ring. The results, in agreement with the QED predictions, establish a new limit for the mass and the coupling constant e/sup x/e gamma of a heavy electron e/sup x/. (auth)
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
Directory of Open Access Journals (Sweden)
Mazanov Jason
2007-10-01
Full Text Available Abstract Background The widespread use of nutritional supplements among athletes is poorly understood. The prevalence of supplement intake and users' knowledge have been researched independently leading to useful, but disconnected, information on supplement use. Methods The 'UK Sport 2005 Drug Free Survey' data (n = 874 were re-analysed using association [χ2] and 'strength of association' tests [φ], to discover observed incongruencies between self-reported supplement use and the underlying motives. Results are given for test pairs between 'motive for use' [doctor's advice, avoiding sickness, overcoming injuries and enhancement of diet] and each supplement used and these were categorized as strong (φ > .7, intermediate (7 φ > .3 and weak (φ Results The use of selected supplements varied widely as follows: multivitamin (72.7%, vitamin C (70.4%, echinacea (30.8%, iron (29.8%, magnesium (11.0% and ginseng (8.3%. Associations with motive were found in 8 of the 10 test pairs which were expected from literature precedents, however only weak associations exist. Of these, four were associated with avoidance of sickness [iron (χ2 = 11.94, p χ2 = 6.43, p φ = .11, p = .011, vitamin C (χ2 = 54.67, p φ = .32, p χ2 = 40.34, p φ = .28, p χ2 = 7.64, p = .006; φ = .12, p = .006 and multivitamin (χ2 = 9.103, p = .003; φ = .13, p = .003; overcoming injuries with magnesium (χ2 = 6.99, p = .008; φ = .11, p = .008; doctors' advice and iron (χ2 = 35.00, p φ = .25, p = .001. Conclusion These results suggest a lack of understanding regarding supplements and health maintenance, except for vitamin C and echinacea. Furthermore, supplement use is apparently independent of physicians/dieticians' advice, except for iron. This may suggest a widespread circumvention of expert advice in the growing area of supplement use and therefore should be addressed to underscore potential health risks.
Ali Saif, M.; Gade, Prashant M.
2009-03-01
Pareto law, which states that wealth distribution in societies has a power-law tail, has been the subject of intensive investigations in the statistical physics community. Several models have been employed to explain this behavior. However, most of the agent based models assume the conservation of number of agents and wealth. Both these assumptions are unrealistic. In this paper, we study the limiting wealth distribution when one or both of these assumptions are not valid. Given the universality of the law, we have tried to study the wealth distribution from the asset exchange models point of view. We consider models in which (a) new agents enter the market at a constant rate (b) richer agents fragment with higher probability introducing newer agents in the system (c) both fragmentation and entry of new agents is taking place. While models (a) and (c) do not conserve total wealth or number of agents, model (b) conserves total wealth. All these models lead to a power-law tail in the wealth distribution pointing to the possibility that more generalized asset exchange models could help us to explain the emergence of a power-law tail in wealth distribution.
Chemical thermodynamics of uranium
International Nuclear Information System (INIS)
Grenthe, I.; Fuger, J.; Lemire, R.J.; Muller, A.B.; Nguyen-Trung Cregu, C.; Wanner, H.
1992-01-01
A comprehensive overview on the chemical thermodynamics of those elements that are of particular importance in the safety assessment of radioactive waste disposal systems is provided. This is the first volume in a series of critical reviews to be published on this subject. The book provides an extensive compilation of chemical thermodynamic data for uranium. A description of procedures for activity corrections and uncertainty estimates is given. A critical discussion of data needed for nuclear waste management assessments, including areas where significant gaps of knowledge exist is presented. A detailed inventory of chemical thermodynamic data for inorganic compounds and complexes of uranium is listed. Data and their uncertainty limits are recommended for 74 aqueous complexes and 199 solid and 31 gaseous compounds containing uranium, and on 52 aqueous and 17 solid auxiliary species containing no uranium. The data are internally consistent and compatible with the CODATA Key Values. The book contains a detailed discussion of procedures used for activity factor corrections in aqueous solution, as well as including methods for making uncertainty estimates. The recommended data have been prepared for use in environmental geochemistry. Containing contributions written by experts the chapters cover various subject areas such a s: oxide and hydroxide compounds and complexes, the uranium nitrides, the solid uranium nitrates and the arsenic-containing uranium compounds, uranates, procedures for consistent estimation of entropies, gaseous and solid uranium halides, gaseous uranium oxides, solid phosphorous-containing uranium compounds, alkali metal uranates, uncertainties, standards and conventions, aqueous complexes, uranium minerals dealing with solubility products and ionic strength corrections. The book is intended for nuclear research establishments and consulting firms dealing with uranium mining and nuclear waste disposal, as well as academic and research institutes
2010-07-01
... 40 Protection of Environment 6 2010-07-01 2010-07-01 false Model Rule-Carbon Monoxide Emission... BBBB of Part 60—Model Rule—Carbon Monoxide Emission Limits for Existing Small Municipal Waste... PERFORMANCE FOR NEW STATIONARY SOURCES Emission Guidelines and Compliance Times for Small Municipal Waste...
The thermodynamic limit and the finite-size behaviour of the fundamental Sp(2N) spin chain
International Nuclear Information System (INIS)
Martins, M.J.
2002-01-01
This paper is concerned with the study of the fundamental integrable Sp(2N) spin chain. The Bethe ansatz equations are solved by special string structure which allows us to determine the bulk limit properties. We present evidences that the critical properties of the system are governed by the product of N c=1 conformal field theories and therefore different from that of the Sp(2N) Wess-Zumino-Witten theory. We argue that many of our findings can be generalized to include anisotropic symplectic spin chains. The possible relevance of our results to the physics of the spin-orbital spin chains are also discussed
Thermodynamics of nuclear materials
International Nuclear Information System (INIS)
1979-01-01
conditions. There was also a session on accident analysis, a very important topic in today's nuclear technology. Other topics related to fission reactor technology included thermodynamics in waste management and fuel reprocessing. One severe limitation to scientists working in applied thermodynamics has been the lack of basic or fundamental thermodynamic data. Accordingly, several sessions of the Symposium were devoted to basic data on nuclear fuels as well as fundamental data on the thermodynamic properties of nuclear materials. The Symposium was indeed a timely one. It served as a mechanism by which the participants gained a comprehensive and complete picture of the current status of international thermodynamic investigations on nuclear materials. The data presented at the Symposium is not the final answer to nuclear material problems, but it will serve as a guide for further investigations. (author)
Advanced thermodynamics engineering
Annamalai, Kalyan; Jog, Milind A
2011-01-01
Thermolab Excel-Based Software for Thermodynamic Properties and Flame Temperatures of Fuels IntroductionImportance, Significance and LimitationsReview of ThermodynamicsMathematical BackgroundOverview of Microscopic/NanothermodynamicsSummaryAppendix: Stokes and Gauss Theorems First Law of ThermodynamicsZeroth LawFirst Law for a Closed SystemQuasi Equilibrium (QE) and Nonquasi-equilibrium (NQE) ProcessesEnthalpy and First LawAdiabatic Reversible Process for Ideal Gas with Constant Specific HeatsFirst Law for an Open SystemApplications of First Law for an Open SystemIntegral and Differential Form
The Limits of Accountable Existence
DEFF Research Database (Denmark)
Thaning, Morten Sørensen
2014-01-01
Paper presented at the workshop Locating Being: Footnotes to Heidegger, held at the University of Aarhus, December 17th 2013......Paper presented at the workshop Locating Being: Footnotes to Heidegger, held at the University of Aarhus, December 17th 2013...
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...
Thermodynamics of Fluid Polyamorphism
Directory of Open Access Journals (Sweden)
Mikhail A. Anisimov
2018-01-01
Full Text Available Fluid polyamorphism is the existence of different condensed amorphous states in a single-component fluid. It is either found or predicted, usually at extreme conditions, for a broad group of very different substances, including helium, carbon, silicon, phosphorous, sulfur, tellurium, cerium, hydrogen, and tin tetraiodide. This phenomenon is also hypothesized for metastable and deeply supercooled water, presumably located a few degrees below the experimental limit of homogeneous ice formation. We present a generic phenomenological approach to describe polyamorphism in a single-component fluid, which is completely independent of the molecular origin of the phenomenon. We show that fluid polyamorphism may occur either in the presence or in the absence of fluid phase separation depending on the symmetry of the order parameter. In the latter case, it is associated with a second-order transition, such as in liquid helium or liquid sulfur. To specify the phenomenology, we consider a fluid with thermodynamic equilibrium between two distinct interconvertible states or molecular structures. A fundamental signature of this concept is the identification of the equilibrium fraction of molecules involved in each of these alternative states. However, the existence of the alternative structures may result in polyamorphic fluid phase separation only if mixing of these structures is not ideal. The two-state thermodynamics unifies all the debated scenarios of fluid polyamorphism in different areas of condensed-matter physics, with or without phase separation, and even goes beyond the phenomenon of polyamorphism by generically describing the anomalous properties of fluids exhibiting interconversion of alternative molecular states.
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
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
Workshop on Teaching Thermodynamics
1985-01-01
It seemed appropriate to arrange a meeting of teachers of thermodynamics in the United Kingdom, a meeting held in the pleasant surroundings of Emmanuel College, Cambridge, in Sept~mber, 1984. This volume records the ideas put forward by authors, the discussion generated and an account of the action that discussion has initiated. Emphasis was placed on the Teaching of Thermodynamics to degree-level students in their first and second years. The meeting, a workshop for practitioners in which all were expected to take part, was remarkably well supported. This was notable in the representation of essentially every UK university and polytechnic engaged in teaching engineering thermodynamics and has led to a stimulating spread of ideas. By intention, the emphasis for attendance was put on teachers of engineering concerned with thermodynamics, both mechanical and chemical engineering disciplines. Attendance from others was encouraged but limited as follows: non-engineering acad emics, 10%, industrialists, 10%. The ...
International Nuclear Information System (INIS)
Bhattacharyya, Trambak; Khuntia, Arvind; Pareek, Pooja; Sahoo, Raghunath; Cleymans, Jean
2016-01-01
We expand the Tsallis distribution in a Taylor series of powers of (q - 1), where q is the Tsallis parameter, assuming q is very close to 1. This helps in studying the degree of deviation of transverse momentum spectra and other thermodynamic quantities from a thermalized Boltzmann distribution. After checking thermodynamic consistency, we provide analytical results for the Tsallis distribution in the presence of collective flow up to the first order of (q - 1). The formulae are compared with the experimental data. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Bhattacharyya, Trambak; Khuntia, Arvind; Pareek, Pooja; Sahoo, Raghunath [Indian Institute of Technology Indore, Discipline of Physics, School of Basic Sciences, Simrol (India); Cleymans, Jean [University of Cape Town, UCT-CERN Research Centre and Department of Physics, Rondebosch (South Africa)
2016-02-15
We expand the Tsallis distribution in a Taylor series of powers of (q - 1), where q is the Tsallis parameter, assuming q is very close to 1. This helps in studying the degree of deviation of transverse momentum spectra and other thermodynamic quantities from a thermalized Boltzmann distribution. After checking thermodynamic consistency, we provide analytical results for the Tsallis distribution in the presence of collective flow up to the first order of (q - 1). The formulae are compared with the experimental data. (orig.)
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...
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
The thermodynamic cost of quantum operations
International Nuclear Information System (INIS)
Bedingham, D J; Maroney, O J E
2016-01-01
The amount of heat generated by computers is rapidly becoming one of the main problems for developing new generations of information technology. The thermodynamics of computation sets the ultimate physical bounds on heat generation. A lower bound is set by the Landauer limit, at which computation becomes thermodynamically reversible. For classical computation there is no physical principle which prevents this limit being reached, and approaches to it are already being experimentally tested. In this paper we show that for quantum computation with a set of signal states satisfying given conditions, there is an unavoidable excess heat generation that renders it inherently thermodynamically irreversible. The Landauer limit cannot, in general, be reached by quantum computers. We show the existence of a lower bound to the heat generated by quantum computing that exceeds that given by the Landauer limit, give the special conditions where this excess cost may be avoided, and provide a protocol for achieving the limiting heat cost when these conditions are met. We also show how classical computing falls within the special conditions. (paper)
Directory of Open Access Journals (Sweden)
Atsunobu Murase
2017-12-01
Full Text Available Understanding the distributional patterns of individual animal groups with respect to coastal topology and the local physical environment provides essential foundational frameworks for marine zoogeography. In the northwestern Pacific waters of Japan, the distributional pattern of some cool-temperate species of marine fishes suggests the existence of a biogeographic boundary corresponding to a long sandy shore on the eastern coast of Kyushu, southern Japan. The existence of this hypothetical biogeographic boundary was tested by mapping the southern distributional limit of two species of cool-temperate intertidal gobies, Chaenogobius annularis and C. gulosus, which are endemic to East Asia and common in rock pools within their range in the Japanese Archipelago. Distribution and abundance were assessed by survey of museum collections from south-east Kyushu (i.e., the entire coasts of Kagoshima and Miyazaki prefectures; and a quantitative survey of the abundance of these gobies in rock pools at various sites around the hypothesized boundary on the eastern coast of Kyushu, including the subtropical Tanega-shima Island. The museum collection survey showed different distribution patterns between the two species: C. annularis was distributed along the entire coasts of south-east Kyushu including subtropical islands, whereas C. gulosus was distributed along these coasts, including one site on a subtropical island, except for an area south of the hypothesized boundary on the eastern coast of Kyushu. The density and occurrence rates of C. annularis in rock pools decreased with latitude, it being absent from a subtropical island, and C. gulosus was not detected from sites south of the hypothesized boundary. The qualitative survey showed that the southernmost records of C. annularis and C. gulosus were the adjacent subtropical islands (Yaku-shima and Tanega-shima islands respectively, although the quantitative survey suggested that their normal range of
Thermodynamic light on black holes
International Nuclear Information System (INIS)
Davies, P.
1977-01-01
The existence of black holes and their relevance to our understanding of the nature of space and time are considered, with especial reference to the application of thermodynamic arguments which can reveal their energy-transfer processes in a new light. The application of thermodynamics to strongly gravitating systems promises some fascinating new insights into the nature of gravity. Situations can occur during gravitational collapse in which existing physics breaks down. Under these circumstances, the application of universal thermodynamical principles might be our only guide. (U.K.)
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.)
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...
Eichhorn, Ralf; Aurell, Erik
2014-04-01
'Stochastic thermodynamics as a conceptual framework combines the stochastic energetics approach introduced a decade ago by Sekimoto [1] with the idea that entropy can consistently be assigned to a single fluctuating trajectory [2]'. This quote, taken from Udo Seifert's [3] 2008 review, nicely summarizes the basic ideas behind stochastic thermodynamics: for small systems, driven by external forces and in contact with a heat bath at a well-defined temperature, stochastic energetics [4] defines the exchanged work and heat along a single fluctuating trajectory and connects them to changes in the internal (system) energy by an energy balance analogous to the first law of thermodynamics. Additionally, providing a consistent definition of trajectory-wise entropy production gives rise to second-law-like relations and forms the basis for a 'stochastic thermodynamics' along individual fluctuating trajectories. In order to construct meaningful concepts of work, heat and entropy production for single trajectories, their definitions are based on the stochastic equations of motion modeling the physical system of interest. Because of this, they are valid even for systems that are prevented from equilibrating with the thermal environment by external driving forces (or other sources of non-equilibrium). In that way, the central notions of equilibrium thermodynamics, such as heat, work and entropy, are consistently extended to the non-equilibrium realm. In the (non-equilibrium) ensemble, the trajectory-wise quantities acquire distributions. General statements derived within stochastic thermodynamics typically refer to properties of these distributions, and are valid in the non-equilibrium regime even beyond the linear response. The extension of statistical mechanics and of exact thermodynamic statements to the non-equilibrium realm has been discussed from the early days of statistical mechanics more than 100 years ago. This debate culminated in the development of linear response
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
Statistical thermodynamics of alloys
Gokcen, N A
1986-01-01
This book is intended for scientists, researchers, and graduate students interested in solutions in general, and solutions of metals in particular. Readers are assumed to have a good background in thermodynamics, presented in such books as those cited at the end of Chapter 1, "Thermo dynamic Background." The contents of the book are limited to the solutions of metals + metals, and metals + metalloids, but the results are also appli cable to numerous other types of solutions encountered by metallurgists, materials scientists, geologists, ceramists, and chemists. Attempts have been made to cover each topic in depth with numerical examples whenever necessary. Chapter 2 presents phase equilibria and phase diagrams as related to the thermodynamics of solutions. The emphasis is on the binary diagrams since the ternary diagrams can be understood in terms of the binary diagrams coupled with the phase rule, and the Gibbs energies of mixing. The cal culation of thermodynamic properties from the phase diagrams is ...
Possible extended forms of thermodynamic entropy
International Nuclear Information System (INIS)
Sasa, Shin-ichi
2014-01-01
Thermodynamic entropy is determined by a heat measurement through the Clausius equality. The entropy then formalizes a fundamental limitation of operations by the second law of thermodynamics. The entropy is also expressed as the Shannon entropy of the microscopic degrees of freedom. Whenever an extension of thermodynamic entropy is attempted, we must pay special attention to how its three different aspects just mentioned are altered. In this paper, we discuss possible extensions of the thermodynamic entropy. (paper)
Thermodynamics of statistical inference by cells.
Lang, Alex H; Fisher, Charles K; Mora, Thierry; Mehta, Pankaj
2014-10-03
The deep connection between thermodynamics, computation, and information is now well established both theoretically and experimentally. Here, we extend these ideas to show that thermodynamics also places fundamental constraints on statistical estimation and learning. To do so, we investigate the constraints placed by (nonequilibrium) thermodynamics on the ability of biochemical signaling networks to estimate the concentration of an external signal. We show that accuracy is limited by energy consumption, suggesting that there are fundamental thermodynamic constraints on statistical inference.
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.
International Nuclear Information System (INIS)
Santiago, T.N.
1980-10-01
A method for thermodynamic properties determination for oxygen solubility in oxide systems at temperature interval 973 ≤ T [K] ≤ 1773 is described. A galvanic cell using as solid electrolytes zircon dioxide doped with 15% of calcium oxide is presented. This method was used for determining the phase change, temperature dependent, of uranium-lanthanides-oxygen Ln U O 4 stoichiometric system. (C.G.C.)
Description of quantum coherence in thermodynamic processes requires constraints beyond free energy
Lostaglio, Matteo; Jennings, David; Rudolph, Terry
2015-01-01
Recent studies have developed fundamental limitations on nanoscale thermodynamics, in terms of a set of independent free energy relations. Here we show that free energy relations cannot properly describe quantum coherence in thermodynamic processes. By casting time-asymmetry as a quantifiable, fundamental resource of a quantum state, we arrive at an additional, independent set of thermodynamic constraints that naturally extend the existing ones. These asymmetry relations reveal that the traditional Szilárd engine argument does not extend automatically to quantum coherences, but instead only relational coherences in a multipartite scenario can contribute to thermodynamic work. We find that coherence transformations are always irreversible. Our results also reveal additional structural parallels between thermodynamics and the theory of entanglement. PMID:25754774
Description of quantum coherence in thermodynamic processes requires constraints beyond free energy
Lostaglio, Matteo; Jennings, David; Rudolph, Terry
2015-03-01
Recent studies have developed fundamental limitations on nanoscale thermodynamics, in terms of a set of independent free energy relations. Here we show that free energy relations cannot properly describe quantum coherence in thermodynamic processes. By casting time-asymmetry as a quantifiable, fundamental resource of a quantum state, we arrive at an additional, independent set of thermodynamic constraints that naturally extend the existing ones. These asymmetry relations reveal that the traditional Szilárd engine argument does not extend automatically to quantum coherences, but instead only relational coherences in a multipartite scenario can contribute to thermodynamic work. We find that coherence transformations are always irreversible. Our results also reveal additional structural parallels between thermodynamics and the theory of entanglement.
Thermodynamic metrics and optimal paths.
Sivak, David A; Crooks, Gavin E
2012-05-11
A fundamental problem in modern thermodynamics is how a molecular-scale machine performs useful work, while operating away from thermal equilibrium without excessive dissipation. To this end, we derive a friction tensor that induces a Riemannian manifold on the space of thermodynamic states. Within the linear-response regime, this metric structure controls the dissipation of finite-time transformations, and bestows optimal protocols with many useful properties. We discuss the connection to the existing thermodynamic length formalism, and demonstrate the utility of this metric by solving for optimal control parameter protocols in a simple nonequilibrium model.
Kellerer-Pirklbauer, A.; Kühnast, B.
2009-04-01
Mountain permafrost is a widespread phenomenon in alpine regions in the European Alps. For instance, some 2000 km² or 4% of the Austrian Alps are underlain by permafrost. Up to recent times most research on permafrost issues in Austria focused on the central and highest section of the Austrian Alps. By contrast, knowledge concerning marginal permafrost zones is fairly limited. To increase knowledge about the easternmost limit of permafrost in the European Alps, a research project focusing on the Seckauer Tauern Mountains (14°30'E to 15°00'E) and particularly on the Hochreichart area was initiated in 2004 by the first author. Since then, different methods have been applied such as e.g. geomorphic mapping, numerical permafrost modelling, multi-annual BTS measurements (since 2004) or continuous ground surface and near ground surface temperature measurements by miniature temperature data loggers/MTDs (since 2004). In order to verify the temperature data and to extend the spatial knowledge about permafrost distribution beyond point information, a geoelectrical survey was carried out at the end of August 2008 by applying the electrical resistivity tomography (ERT) method along a 120 m long profile covering the upper part of the rooting zone of a (more-or-less) relict rock glacier and the talus slope above. For this survey the two-dimensional (2D) electrical surveys was performed using the Wenner-Alfa configuration with 2.5 m spacing and an LGM-Lippmann 4-Punkt light hp resistivity-meter. The ERT results indicate an active layer of 2 to 4 m underlain by a permafrost body along 3/4 of the entire profile with resistivity values between 50 to 100 kOhm.m and extending to a depth of 10 to 15 m. The permafrost body is substantially thicker at the lower part of the profile (rock glacier; first 50 m of profile) compared to most of the upper part (talus slope). Focusing on the talus slope, the permafrost body is thickest on the central section of the profile (~5-6 m thickness
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.)
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...
Armen, Roger S; Schiller, Stefan M; Brooks, Charles L
2010-06-01
Orthogonal aminoacyl-tRNA synthetase/tRNA pairs from archaea have been evolved to facilitate site specific in vivo incorporation of unnatural amino acids into proteins in Escherichia coli. Using this approach, unnatural amino acids have been successfully incorporated with high translational efficiency and fidelity. In this study, CHARMM-based molecular docking and free energy calculations were used to evaluate rational design of specific protein-ligand interactions for aminoacyl-tRNA synthetases. A series of novel unnatural amino acid ligands were docked into the p-benzoyl-L-phenylalanine tRNA synthetase, which revealed that the binding pocket of the enzyme does not provide sufficient space for significantly larger ligands. Specific binding site residues were mutated to alanine to create additional space to accommodate larger target ligands, and then mutations were introduced to improve binding free energy. This approach was used to redesign binding sites for several different target ligands, which were then tested against the standard 20 amino acids to verify target specificity. Only the synthetase designed to bind Man-alpha-O-Tyr was predicted to be sufficiently selective for the target ligand and also thermodynamically stable. Our study suggests that extensive redesign of the tRNA synthatase binding pocket for large bulky ligands may be quite thermodynamically unfavorable.
Energy Technology Data Exchange (ETDEWEB)
Graham, Emily B. [Pacific Northwest National Laboratory, Richland WA USA; Tfaily, Malak M. [Environmental Molecular Sciences Laboratory, Richland WA USA; Crump, Alex R. [Pacific Northwest National Laboratory, Richland WA USA; Goldman, Amy E. [Pacific Northwest National Laboratory, Richland WA USA; Bramer, Lisa M. [Pacific Northwest National Laboratory, Richland WA USA; Arntzen, Evan [Pacific Northwest National Laboratory, Richland WA USA; Romero, Elvira [Pacific Northwest National Laboratory, Richland WA USA; Resch, C. Tom [Pacific Northwest National Laboratory, Richland WA USA; Kennedy, David W. [Pacific Northwest National Laboratory, Richland WA USA; Stegen, James C. [Pacific Northwest National Laboratory, Richland WA USA
2017-12-01
In light of increasing terrestrial carbon (C) transport across aquatic boundaries, the mechanisms governing organic carbon (OC) oxidation along terrestrial-aquatic interfaces are crucial to future climate predictions. Here, we investigate biochemistry, metabolic pathways, and thermodynamics corresponding to OC oxidation in the Columbia River corridor. We leverage natural vegetative differences to encompass variation in terrestrial C inputs. Our results suggest that decreases in terrestrial C deposition associated with diminished riparian vegetation induce oxidation of physically-bound (i.e., mineral and microbial) OC at terrestrial-aquatic interfaces. We also find that contrasting metabolic pathways oxidize OC in the presence and absence of vegetation and—in direct conflict with the concept of ‘priming’—that inputs of water-soluble and thermodynamically-favorable terrestrial OC protects bound-OC from oxidation. Based on our results, we propose a mechanistic conceptualization of OC oxidation along terrestrial-aquatic interfaces that can be used to model heterogeneous patterns of OC loss under changing land cover distributions.
International Nuclear Information System (INIS)
Bonasera, A.; Latora, V.; Ploszajczak, M.
1996-07-01
The maximal Lyapunov exponents (LE) are calculated, starting from concepts of hydrodynamics. Analytical expressions for the LE can be found in ergodic limit by using results of the classical thermodynamics for a Boltzmann gas and for systems undergoing a second order phase transition. A recipe is given to measure LE in systems which might have a critical behavior, such as a Bose-Einstein condensation or a transition to a quark-gluon plasma. (author)
Thermodynamics and entanglements of walks under stress
International Nuclear Information System (INIS)
Janse van Rensburg, E J; Orlandini, E; Tesi, M C; Whittington, S G
2009-01-01
We use rigorous arguments and Monte Carlo simulations to study the thermodynamics and the topological properties of self-avoiding walks on the cubic lattice subjected to an external force f. The walks are anchored at one or both endpoints to an impenetrable plane at Z = 0 and the force is applied in the Z-direction. If a force is applied to the free endpoint of an anchored walk, then a model of pulled walks is obtained. If the walk is confined to a slab and a force is applied to the top bounding plane, then a model of stretched walks is obtained. For both models we prove the existence of the limiting free energy for any value of the force and we show that, for compressive forces, the thermodynamic properties of the two models differ substantially. For pulled walks we prove the existence of a phase transition that, by numerical simulation, we estimate to be second order and located at f = 0. By using a pattern theorem for large positive forces we show that almost all sufficiently long stretched walks are knotted. We examine the entanglement complexity of stretched and pulled walks; our numerical results show a sharp reduction with increasing pulling and stretching forces. Finally, we also examine models of pulled and stretched loops. We prove the existence of limiting free energies in these models and consider the knot probability numerically as a function of the applied pulling or stretching force
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.
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
2010-07-01
.../ton.4 Use the appropriate open molding emission limit.5 9. pultrusion 6 N/A reduce total organic HAP... CATEGORIES National Emissions Standards for Hazardous Air Pollutants: Reinforced Plastic Composites...: If your operation type is . . . And you use . . . 1 Your organic HAP emissions limit is . . . 1. open...
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...
Thermodynamical inequivalence of quantum stress-energy and spin tensors
International Nuclear Information System (INIS)
Becattini, F.; Tinti, L.
2011-01-01
It is shown that different couples of stress-energy and spin tensors of quantum-relativistic fields, which would be otherwise equivalent, are in fact inequivalent if the second law of thermodynamics is taken into account. The proof of the inequivalence is based on the analysis of a macroscopic system at full thermodynamical equilibrium with a macroscopic total angular momentum and a specific instance is given for the free Dirac field, for which we show that the canonical and Belinfante stress-energy tensors are not equivalent. For this particular case, we show that the difference between the predicted angular momentum densities for a rotating system at full thermodynamical equilibrium is a quantum effect, persisting in the nonrelativistic limit, corresponding to a polarization of particles of the order of (ℎ/2π)ω/KT (ω being the angular velocity) and could in principle be measured experimentally. This result implies that specific stress-energy and spin tensors are physically meaningful even in the absence of gravitational coupling and raises the issue of finding the thermodynamically right (or the right class of) tensors. We argue that the maximization of the thermodynamic potential theoretically allows us to discriminate between two different couples, yet for the present we are unable to provide a theoretical method to single out the best couple of tensors in a given quantum field theory. The existence of a nonvanishing spin tensor would have major consequences in hydrodynamics, gravity and cosmology.
Thermodynamic Calculations for Systems Biocatalysis
DEFF Research Database (Denmark)
Abu, Rohana; Gundersen, Maria T.; Woodley, John M.
2015-01-01
the transamination of a pro-chiral ketone into a chiral amine (interesting in many pharmaceutical applications). Here, the products are often less energetically stable than the reactants, meaning that the reaction may be thermodynamically unfavourable. As in nature, such thermodynamically-challenged reactions can...... on the basis of kinetics. However, many of the most interesting non-natural chemical reactions which could potentially be catalysed by enzymes, are thermodynamically unfavourable and are thus limited by the equilibrium position of the reaction. A good example is the enzyme ω-transaminase, which catalyses...... be altered by coupling with other reactions. For instance, in the case of ω-transaminase, such a coupling could be with alanine dehydrogenase. Herein, the aim of this work is to identify thermodynamic bottlenecks within a multi-enzyme process, using group contribution method to calculate the Gibbs free...
Thermodynamic efficiency of solar concentrators.
Shatz, Narkis; Bortz, John; Winston, Roland
2010-04-26
The optical thermodynamic efficiency is a comprehensive metric that takes into account all loss mechanisms associated with transferring flux from the source to the target phase space, which may include losses due to inadequate design, non-ideal materials, fabrication errors, and less than maximal concentration. We discuss consequences of Fermat's principle of geometrical optics and review étendue dilution and optical loss mechanisms associated with nonimaging concentrators. We develop an expression for the optical thermodynamic efficiency which combines the first and second laws of thermodynamics. As such, this metric is a gold standard for evaluating the performance of nonimaging concentrators. We provide examples illustrating the use of this new metric for concentrating photovoltaic systems for solar power applications, and in particular show how skewness mismatch limits the attainable optical thermodynamic efficiency.
A Vector Representation for Thermodynamic Relationships
Pogliani, Lionello
2006-01-01
The existing vector formalism method for thermodynamic relationship maintains tractability and uses accessible mathematics, which can be seen as a diverting and entertaining step into the mathematical formalism of thermodynamics and as an elementary application of matrix algebra. The method is based on ideas and operations apt to improve the…
Energy Technology Data Exchange (ETDEWEB)
Boissonnet, G.; Seiler, J.M.
2003-07-01
The document presents an approach of biomass transformation in presence of steam, hydrogen or oxygen. Calculation results based on thermodynamic equilibrium are discussed. The objective of gasification techniques is to increase the gas content in CO and H{sub 2}. The maximum content in these gases is obtained when thermodynamic equilibrium is approached. Any optimisation action of a process. will, thus, tend to approach thermodynamic equilibrium conditions. On the other hand, such calculations can be used to determine the conditions which lead to an increase in the production of CO and H{sub 2}. An objective is also to determine transformation enthalpies that are an important input for process calculations. Various existing processes are assessed, and associated thermodynamic limitations are evidenced. (author)
The statistical-inference approach to generalized thermodynamics
International Nuclear Information System (INIS)
Lavenda, B.H.; Scherer, C.
1987-01-01
Limit theorems, such as the central-limit theorem and the weak law of large numbers, are applicable to statistical thermodynamics for sufficiently large sample size of indipendent and identically distributed observations performed on extensive thermodynamic (chance) variables. The estimation of the intensive thermodynamic quantities is a problem in parametric statistical estimation. The normal approximation to the Gibbs' distribution is justified by the analysis of large deviations. Statistical thermodynamics is generalized to include the statistical estimation of variance as well as mean values
Energy Technology Data Exchange (ETDEWEB)
Kahlert, Joachim; Altmann, Hubertus [Vattenfall Europe Generation AG, Cottbus (Germany); Schuele, Volker [ALSTOM Power GmbH, Mannheim (Germany)
2013-02-01
The conversion of energy supply towards steeply increasing renewable power generation requires a number of technical innovations which also affect conventional power plants. A further trend is to increase the flexibility of conventional generation plants in order to optimise the system integration of volatile renewable feed in. The paper demonstrates the possibilities and limits of flexibility for lignite-fired power plants. The increasing flexibility of lignite power plants is understood as raising the range of ancillary services to the power, reducing the power output and expanding the mobile load gradient.
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…
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
Placement by thermodynamic simulated annealing
International Nuclear Information System (INIS)
Vicente, Juan de; Lanchares, Juan; Hermida, Roman
2003-01-01
Combinatorial optimization problems arise in different fields of science and engineering. There exist some general techniques coping with these problems such as simulated annealing (SA). In spite of SA success, it usually requires costly experimental studies in fine tuning the most suitable annealing schedule. In this Letter, the classical integrated circuit placement problem is faced by Thermodynamic Simulated Annealing (TSA). TSA provides a new annealing schedule derived from thermodynamic laws. Unlike SA, temperature in TSA is free to evolve and its value is continuously updated from the variation of state functions as the internal energy and entropy. Thereby, TSA achieves the high quality results of SA while providing interesting adaptive features
Impact of Thermodynamic Principles in Systems Biology
Heijnen, J.J.
2010-01-01
It is shown that properties of biological systems which are relevant for systems biology motivated mathematical modelling are strongly shaped by general thermodynamic principles such as osmotic limit, Gibbs energy dissipation, near equilibria and thermodynamic driving force. Each of these aspects
[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.
Directory of Open Access Journals (Sweden)
Pouyan Esmaeilzadeh
2014-04-01
Full Text Available The technology acceptance model (TAM has been widely used to study user acceptance of new computer technologies. Previous studies claimed that future technology acceptance research should explore other additional explanatory variables, which may affect the originally proposed constructs of the TAM. The use of information technology in the health care sector and especially in hospitals offers great potential for improving the performance of physicians, increasing the quality of services and also reducing the organizational expenses. However, the main challenge that arises according to the literature is whether healthcare professionals are willing to adopt and use clinical information technology while performing their tasks. Although adoption of various information technologies has been studied using the technology acceptance model (TAM, the study of technology acceptance for professional groups (such as physicians has been limited. Physician adoption of clinical information technology is important for its successful implementation. Therefore, the purpose of this study is to gain a better insight about factors affecting physicians’ acceptance of clinical decision support systems (CDSS in a hospital setting. The results reflect the importance of perceived threat to professional autonomy, perceived interactivity with clinical IT, perceived usefulness and perceived ease of use in determining physicians’ intention to use CDSS.
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.
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.
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.
Thermodynamically consistent model calibration in chemical kinetics
Directory of Open Access Journals (Sweden)
Goutsias John
2011-05-01
Full Text Available Abstract Background The dynamics of biochemical reaction systems are constrained by the fundamental laws of thermodynamics, which impose well-defined relationships among the reaction rate constants characterizing these systems. Constructing biochemical reaction systems from experimental observations often leads to parameter values that do not satisfy the necessary thermodynamic constraints. This can result in models that are not physically realizable and may lead to inaccurate, or even erroneous, descriptions of cellular function. Results We introduce a thermodynamically consistent model calibration (TCMC method that can be effectively used to provide thermodynamically feasible values for the parameters of an open biochemical reaction system. The proposed method formulates the model calibration problem as a constrained optimization problem that takes thermodynamic constraints (and, if desired, additional non-thermodynamic constraints into account. By calculating thermodynamically feasible values for the kinetic parameters of a well-known model of the EGF/ERK signaling cascade, we demonstrate the qualitative and quantitative significance of imposing thermodynamic constraints on these parameters and the effectiveness of our method for accomplishing this important task. MATLAB software, using the Systems Biology Toolbox 2.1, can be accessed from http://www.cis.jhu.edu/~goutsias/CSS lab/software.html. An SBML file containing the thermodynamically feasible EGF/ERK signaling cascade model can be found in the BioModels database. Conclusions TCMC is a simple and flexible method for obtaining physically plausible values for the kinetic parameters of open biochemical reaction systems. It can be effectively used to recalculate a thermodynamically consistent set of parameter values for existing thermodynamically infeasible biochemical reaction models of cellular function as well as to estimate thermodynamically feasible values for the parameters of new
Westerhoff, Hans V.; Lolkema, Juke S.; Otto, Roel; Hellingwerf, K
1982-01-01
Microbial growth is analyzed in terms of mosaic and phenomenological non-equilibrium thermodynamics. It turns out that already existing parameters devised to measure bacterial growth, such as YATP, µ, and Qsubstrate, have as thermodynamic equivalents flow ratio, output flow and input flow. With this
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.
International Nuclear Information System (INIS)
Beretta, G.P.; Gyftopoulos, E.P.; Park, J.L.
1985-01-01
A novel nonlinear equation of motion is proposed for a general quantum system consisting of more than one distinguishable elementary constituent of matter. In the domain of idempotent quantum-mechanical state operators, it is satisfied by all unitary evolutions generated by the Schroedinger equation. But in the broader domain of nonidempotent state operators not contemplated by conventional quantum mechanics, it generates a generally nonunitary evolution, it keeps the energy invariant and causes the entropy to increase with time until the system reaches a state of equilibrium or a limit cycle
Mass transport thermodynamics in nonisothermal molecular liquid mixtures
Energy Technology Data Exchange (ETDEWEB)
Semenov, Semen N [Institute for Biochemical Physics, Russian Academy of Sciences, Moscow (Russian Federation); Schimpf, M E [Department of Chemistry and Biochemistry, Boise State University, Boise, ID (United States)
2009-10-31
Mass transport in a nonisothermal binary molecular mixture is systematically discussed in terms of nonequilibrium thermodynamics, which for the first time allows a consistent and unambiguous description of the process. The thermodynamic and hydrodynamic approaches are compared, revealing that nonequilibrium thermodynamics and physicochemical hydrodynamics yield essentially the same results for molecular systems. The applicability limits for the proposed version of the thermodynamic approach are determined for large particles. (methodological notes)
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
OPTIMAL PROCESSES IN IRREVERSIBLE THERMODYNAMICS AND MICROECONOMICS
Directory of Open Access Journals (Sweden)
Vladimir A. Kazakov
2004-06-01
Full Text Available This paper describes general methodology that allows one to extend Carnot efficiency of classical thermodynamic for zero rate processes onto thermodynamic systems with finite rate. We define the class of minimal dissipation processes and show that it represents generalization of reversible processes and determines the limiting possibilities of finite rate systems. The described methodology is then applied to microeconomic exchange systems yielding novel estimates of limiting efficiencies for such systems.
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
Thermodynamic properties of vanadium
International Nuclear Information System (INIS)
Desai, P.D.
1986-01-01
This work reviews and discusses the data and information on the various thermodynamic properties of vanadium available through March 1985. These include the heat capacity and enthalpy, enthalpy of melting, vapor pressure, and enthalpy of vaporization. The existing data have been critically evaluated and analyzed, and the recommended values for heat capacity, enthalpy, entropy, and Gibbs energy function covering the temperature range from 1 to 3800 K have been generated. These values are referred to tempertures based on IPTS-1968. The units used for various properties are joules per mole (J. mol - 1 ). The estimated uncertainties in the heat capacity are +/-3% below 15 K, +/-10% from 15 to 150 K, +/-3% from 150 to 298.15 K, +/-2% from 298.15 to 1000 K, +/-3% from 1000 to the melting point (2202 K), and +/-5% in the liquid region
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
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
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...
THERMODYNAMIC LIMITS ON MAGNETODYNAMOS IN ROCKY EXOPLANETS
International Nuclear Information System (INIS)
Gaidos, Eric; Conrad, Clinton P.; Manga, Michael; Hernlund, John
2010-01-01
To ascertain whether magnetic dynamos operate in rocky exoplanets more massive or hotter than the Earth, we developed a parametric model of a differentiated rocky planet and its thermal evolution. Our model reproduces the established properties of Earth's interior and magnetic field at the present time. When applied to Venus, assuming that planet lacks plate tectonics and has a dehydrated mantle with an elevated viscosity, the model shows that the dynamo shuts down or never operated. Our model predicts that at a fixed planet mass, dynamo history is sensitive to core size, but not to the initial inventory of long-lived, heat-producing radionuclides. It predicts that rocky planets larger than 2.5 Earth masses will not develop inner cores because the temperature-pressure slope of the iron solidus becomes flatter than that of the core adiabat. Instead, iron 'snow' will condense near or at the top of these cores, and the net transfer of latent heat upward will suppress convection and a dynamo. More massive planets can have anemic dynamos due to core cooling, but only if they have mobile lids (plate tectonics). The lifetime of these dynamos is shorter with increasing planet mass but longer with higher surface temperature. Massive Venus-like planets with stagnant lids and more viscous mantles will lack dynamos altogether. We identify two alternative sources of magnetic fields on rocky planets: eddy currents induced in the hot or molten upper layers of planets on very short-period orbits, and dynamos in the ionic conducting layers of 'ocean' planets with ∼10% mass in an upper mantle of water (ice).
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.
Microcanonical ensemble extensive thermodynamics of Tsallis statistics
International Nuclear Information System (INIS)
Parvan, A.S.
2005-01-01
The microscopic foundation of the generalized equilibrium statistical mechanics based on the Tsallis entropy is given by using the Gibbs idea of statistical ensembles of the classical and quantum mechanics.The equilibrium distribution functions are derived by the thermodynamic method based upon the use of the fundamental equation of thermodynamics and the statistical definition of the functions of the state of the system. It is shown that if the entropic index ξ = 1/q - 1 in the microcanonical ensemble is an extensive variable of the state of the system, then in the thermodynamic limit z bar = 1/(q - 1)N = const the principle of additivity and the zero law of thermodynamics are satisfied. In particular, the Tsallis entropy of the system is extensive and the temperature is intensive. Thus, the Tsallis statistics completely satisfies all the postulates of the equilibrium thermodynamics. Moreover, evaluation of the thermodynamic identities in the microcanonical ensemble is provided by the Euler theorem. The principle of additivity and the Euler theorem are explicitly proved by using the illustration of the classical microcanonical ideal gas in the thermodynamic limit
Microcanonical ensemble extensive thermodynamics of Tsallis statistics
International Nuclear Information System (INIS)
Parvan, A.S.
2006-01-01
The microscopic foundation of the generalized equilibrium statistical mechanics based on the Tsallis entropy is given by using the Gibbs idea of statistical ensembles of the classical and quantum mechanics. The equilibrium distribution functions are derived by the thermodynamic method based upon the use of the fundamental equation of thermodynamics and the statistical definition of the functions of the state of the system. It is shown that if the entropic index ξ=1/(q-1) in the microcanonical ensemble is an extensive variable of the state of the system, then in the thermodynamic limit z-bar =1/(q-1)N=const the principle of additivity and the zero law of thermodynamics are satisfied. In particular, the Tsallis entropy of the system is extensive and the temperature is intensive. Thus, the Tsallis statistics completely satisfies all the postulates of the equilibrium thermodynamics. Moreover, evaluation of the thermodynamic identities in the microcanonical ensemble is provided by the Euler theorem. The principle of additivity and the Euler theorem are explicitly proved by using the illustration of the classical microcanonical ideal gas in the thermodynamic limit
Central limit theorem and deformed exponentials
International Nuclear Information System (INIS)
Vignat, C; Plastino, A
2007-01-01
The central limit theorem (CLT) can be ranked among the most important ones in probability theory and statistics and plays an essential role in several basic and applied disciplines, notably in statistical thermodynamics. We show that there exists a natural extension of the CLT from exponentials to so-called deformed exponentials (also denoted as q-Gaussians). Our proposal applies exactly in the usual conditions in which the classical CLT is used. (fast track communication)
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.
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
An introduction to equilibrium thermodynamics
Morrill, Bernard; Hartnett, James P; Hughes, William F
1973-01-01
An Introduction to Equilibrium Thermodynamics discusses classical thermodynamics and irreversible thermodynamics. It introduces the laws of thermodynamics and the connection between statistical concepts and observable macroscopic properties of a thermodynamic system. Chapter 1 discusses the first law of thermodynamics while Chapters 2 through 4 deal with statistical concepts. The succeeding chapters describe the link between entropy and the reversible heat process concept of entropy; the second law of thermodynamics; Legendre transformations and Jacobian algebra. Finally, Chapter 10 provides a
Thermodynamics for scientists and engineers
International Nuclear Information System (INIS)
Lim, Gyeong Hui
2011-02-01
This book deals with thermodynamics for scientists and engineers. It consists of 11 chapters, which are concept and background of thermodynamics, the first law of thermodynamics, the second law of thermodynamics and entropy, mathematics related thermodynamics, properties of thermodynamics on pure material, equilibrium, stability of thermodynamics, the basic of compound, phase equilibrium of compound, excess gibbs energy model of compound and activity coefficient model and chemical equilibrium. It has four appendixes on properties of pure materials and thermal mass.
Thermodynamics of Bioreactions.
Held, Christoph; Sadowski, Gabriele
2016-06-07
Thermodynamic principles have been applied to enzyme-catalyzed reactions since the beginning of the 1930s in an attempt to understand metabolic pathways. Currently, thermodynamics is also applied to the design and analysis of biotechnological processes. The key thermodynamic quantity is the Gibbs energy of reaction, which must be negative for a reaction to occur spontaneously. However, the application of thermodynamic feasibility studies sometimes yields positive Gibbs energies of reaction even for reactions that are known to occur spontaneously, such as glycolysis. This article reviews the application of thermodynamics in enzyme-catalyzed reactions. It summarizes the basic thermodynamic relationships used for describing the Gibbs energy of reaction and also refers to the nonuniform application of these relationships in the literature. The review summarizes state-of-the-art approaches that describe the influence of temperature, pH, electrolytes, solvents, and concentrations of reacting agents on the Gibbs energy of reaction and, therefore, on the feasibility and yield of biological reactions.
Thermodynamic Property Needs for the Oleochemical Industry
DEFF Research Database (Denmark)
Ana Perederic, Olivia; Kalakul, Sawitree; Sarup, Bent
The oleochemical industry cover mainly the food and pharmaceutical reactions but production offuels (biodiesel) and other speciality chemical production processes also handle oleochemicals (inother words, lipids). The core of process synthesis and design depend on availability of properties data...... and/or reliable thermodynamic models for the chemicals involved. Limited availability ofconsistent physical and thermodynamic properties of lipids compounds and their mixtures lead to difficulties with the use of process simulators for process synthesis and design, since all themodels to be used...
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.
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...
Reiss, Howard
1997-01-01
Since there is no shortage of excellent general books on elementary thermodynamics, this book takes a different approach, focusing attention on the problem areas of understanding of concept and especially on the overwhelming but usually hidden role of ""constraints"" in thermodynamics, as well as on the lucid exposition of the significance, construction, and use (in the case of arbitrary systems) of the thermodynamic potential. It will be especially useful as an auxiliary text to be used along with any standard treatment.Unlike some texts, Methods of Thermodynamics does not use statistical m
Thermodynamics of nuclear materials
International Nuclear Information System (INIS)
Rand, M.H.
1975-01-01
A report is presented of the Fourth International Symposium on Thermodynamics of Nuclear Materials held in Vienna, 21-25 October 1974. The technological theme of the Symposium was the application of thermodynamics to the understanding of the chemistry of irradiated nuclear fuels and to safety assessments for hypothetical accident conditions in reactors. The first four sessions were devoted to these topics and they were followed by four more sessions on the more basic thermodynamics, phase diagrams and the thermodynamic properties of a wide range of nuclear materials. Sixty-seven papers were presented
Shared probe design and existing microarray reanalysis using PICKY
Directory of Open Access Journals (Sweden)
Chou Hui-Hsien
2010-04-01
Full Text Available Abstract Background Large genomes contain families of highly similar genes that cannot be individually identified by microarray probes. This limitation is due to thermodynamic restrictions and cannot be resolved by any computational method. Since gene annotations are updated more frequently than microarrays, another common issue facing microarray users is that existing microarrays must be routinely reanalyzed to determine probes that are still useful with respect to the updated annotations. Results PICKY 2.0 can design shared probes for sets of genes that cannot be individually identified using unique probes. PICKY 2.0 uses novel algorithms to track sharable regions among genes and to strictly distinguish them from other highly similar but nontarget regions during thermodynamic comparisons. Therefore, PICKY does not sacrifice the quality of shared probes when choosing them. The latest PICKY 2.1 includes the new capability to reanalyze existing microarray probes against updated gene sets to determine probes that are still valid to use. In addition, more precise nonlinear salt effect estimates and other improvements are added, making PICKY 2.1 more versatile to microarray users. Conclusions Shared probes allow expressed gene family members to be detected; this capability is generally more desirable than not knowing anything about these genes. Shared probes also enable the design of cross-genome microarrays, which facilitate multiple species identification in environmental samples. The new nonlinear salt effect calculation significantly increases the precision of probes at a lower buffer salt concentration, and the probe reanalysis function improves existing microarray result interpretations.
Thermodynamic and Quantum Thermodynamic Analyses of Brownian Movement
Gyftopoulos, Elias P.
2006-01-01
Thermodynamic and quantum thermodynamic analyses of Brownian movement of a solvent and a colloid passing through neutral thermodynamic equilibrium states only. It is shown that Brownian motors and E. coli do not represent Brownian movement.
Thermodynamics of Inozemtsev's elliptic spin chain
International Nuclear Information System (INIS)
Klabbers, Rob
2016-01-01
We study the thermodynamic behaviour of Inozemtsev's long-range elliptic spin chain using the Bethe ansatz equations describing the spectrum of the model in the infinite-length limit. We classify all solutions of these equations in that limit and argue which of these solutions determine the spectrum in the thermodynamic limit. Interestingly, some of the solutions are not selfconjugate, which puts the model in sharp contrast to one of the model's limiting cases, the Heisenberg XXX spin chain. Invoking the string hypothesis we derive the thermodynamic Bethe ansatz equations (TBA-equations) from which we determine the Helmholtz free energy in thermodynamic equilibrium and derive the associated Y-system. We corroborate our results by comparing numerical solutions of the TBA-equations to a direct computation of the free energy for the finite-length hamiltonian. In addition we confirm numerically the interesting conjecture put forward by Finkel and González-López that the original and supersymmetric versions of Inozemtsev's elliptic spin chain are equivalent in the thermodynamic limit.
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...
The thermodynamic solar energy
International Nuclear Information System (INIS)
Rivoire, B.
2002-04-01
The thermodynamic solar energy is the technic in the whole aiming to transform the solar radiation energy in high temperature heat and then in mechanical energy by a thermodynamic cycle. These technic are most often at an experimental scale. This paper describes and analyzes the research programs developed in the advanced countries, since 1980. (A.L.B.)
Quasiparticles and thermodynamical consistency
International Nuclear Information System (INIS)
Shanenko, A.A.; Biro, T.S.; Toneev, V.D.
2003-01-01
A brief and simple introduction into the problem of the thermodynamical consistency is given. The thermodynamical consistency relations, which should be taken into account under constructing a quasiparticle model, are found in a general manner from the finite-temperature extension of the Hellmann-Feynman theorem. Restrictions following from these relations are illustrated by simple physical examples. (author)
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
Equilibrium thermodynamics - Callen's postulational approach
Jongschaap, R.J.J.; Öttinger, Hans Christian
2001-01-01
In order to provide the background for nonequilibrium thermodynamics, we outline the fundamentals of equilibrium thermodynamics. Equilibrium thermodynamics must not only be obtained as a special case of any acceptable nonequilibrium generalization but, through its shining example, it also elucidates
Applied chemical engineering thermodynamics
Tassios, Dimitrios P
1993-01-01
Applied Chemical Engineering Thermodynamics provides the undergraduate and graduate student of chemical engineering with the basic knowledge, the methodology and the references he needs to apply it in industrial practice. Thus, in addition to the classical topics of the laws of thermodynamics,pure component and mixture thermodynamic properties as well as phase and chemical equilibria the reader will find: - history of thermodynamics - energy conservation - internmolecular forces and molecular thermodynamics - cubic equations of state - statistical mechanics. A great number of calculated problems with solutions and an appendix with numerous tables of numbers of practical importance are extremely helpful for applied calculations. The computer programs on the included disk help the student to become familiar with the typical methods used in industry for volumetric and vapor-liquid equilibria calculations.
Thermodynamics an engineering approach
Cengel, Yunus A
2014-01-01
Thermodynamics, An Engineering Approach, eighth edition, covers the basic principles of thermodynamics while presenting a wealth of real-world engineering examples so students get a feel for how thermodynamics is applied in engineering practice. This text helps students develop an intuitive understanding by emphasizing the physics and physical arguments. Cengel and Boles explore the various facets of thermodynamics through careful explanations of concepts and use of numerous practical examples and figures, having students develop necessary skills to bridge the gap between knowledge and the confidence to properly apply their knowledge. McGraw-Hill is proud to offer Connect with the eighth edition of Cengel/Boles, Thermodynamics, An Engineering Approach. This innovative and powerful new system helps your students learn more efficiently and gives you the ability to assign homework problems simply and easily. Problems are graded automatically, and the results are recorded immediately. Track individual stude...
Thermodynamic estimation: Ionic materials
International Nuclear Information System (INIS)
Glasser, Leslie
2013-01-01
Thermodynamics establishes equilibrium relations among thermodynamic parameters (“properties”) and delineates the effects of variation of the thermodynamic functions (typically temperature and pressure) on those parameters. However, classical thermodynamics does not provide values for the necessary thermodynamic properties, which must be established by extra-thermodynamic means such as experiment, theoretical calculation, or empirical estimation. While many values may be found in the numerous collected tables in the literature, these are necessarily incomplete because either the experimental measurements have not been made or the materials may be hypothetical. The current paper presents a number of simple and relible estimation methods for thermodynamic properties, principally for ionic materials. The results may also be used as a check for obvious errors in published values. The estimation methods described are typically based on addition of properties of individual ions, or sums of properties of neutral ion groups (such as “double” salts, in the Simple Salt Approximation), or based upon correlations such as with formula unit volumes (Volume-Based Thermodynamics). - Graphical abstract: Thermodynamic properties of ionic materials may be readily estimated by summation of the properties of individual ions, by summation of the properties of ‘double salts’, and by correlation with formula volume. Such estimates may fill gaps in the literature, and may also be used as checks of published values. This simplicity arises from exploitation of the fact that repulsive energy terms are of short range and very similar across materials, while coulombic interactions provide a very large component of the attractive energy in ionic systems. Display Omitted - Highlights: • Estimation methods for thermodynamic properties of ionic materials are introduced. • Methods are based on summation of single ions, multiple salts, and correlations. • Heat capacity, entropy
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.
Thermodynamics of the hot BIon
DEFF Research Database (Denmark)
Grignani, Gianluca; Harmark, Troels; Marini, Andrea
2011-01-01
We investigate the thermodynamics of the recently obtained nite temperature BIon solution of arXiv:1012.1494, focusing on two aspects. The first concerns comparison of the free energy of the three available phases for the finite temperature brane-antibrane wormhole configuration. Based on this we...... propose a heuristic picture for the dynamics of the phases that involves a critical temperature below which a stable phase exists. This stable phase is the finite temperature analogue of the thin throat branch of the extremal brane anti-brane wormhole configuration. The second aspect that we consider...
Thermodynamic laws in isolated systems.
Hilbert, Stefan; Hänggi, Peter; Dunkel, Jörn
2014-12-01
The recent experimental realization of exotic matter states in isolated quantum systems and the ensuing controversy about the existence of negative absolute temperatures demand a careful analysis of the conceptual foundations underlying microcanonical thermostatistics. Here we provide a detailed comparison of the most commonly considered microcanonical entropy definitions, focusing specifically on whether they satisfy or violate the zeroth, first, and second laws of thermodynamics. Our analysis shows that, for a broad class of systems that includes all standard classical Hamiltonian systems, only the Gibbs volume entropy fulfills all three laws simultaneously. To avoid ambiguities, the discussion is restricted to exact results and analytically tractable examples.
Thermodynamics, Entropy, Information and the Efficiency of Solar Cells
Abrams, Zeev R.
2012-01-01
For well over 50 years, the limits to photovoltaic energy conversion have been known and codified, and have played a vital role in the push for technological breakthroughs to reach - and even attempt to surpass - those limits. This limit, known as the Shockley-Queisser detailed-balance limit, was found by using only the most basic of thermodynamic assumptions, and therefore provides an upper bound that is difficult to contest without violating the laws of thermodynamics. Many different scheme...
Relativistic thermodynamics of Fluids. l
International Nuclear Information System (INIS)
Havas, P.; Swenson, R.J.
1979-01-01
In 1953, Stueckelberg and Wanders derived the basic laws of relativistic linear nonequilibrium thermodynamics for chemically reacting fluids from the relativistic local conservation laws for energy-momentum and the local laws of production of substances and of nonnegative entropy production by the requirement that the corresponding currents (assumed to depend linearly on the derivatives of the state variables) should not be independent. Generalizing their method, we determine the most general allowed form of the energy-momentum tensor T/sup alphabeta/ and of the corresponding rate of entropy production under the same restriction on the currents. The problem of expressing this rate in terms of thermodynamic forces and fluxes is discussed in detail; it is shown that the number of independent forces is not uniquely determined by the theory, and seven possibilities are explored. A number of possible new cross effects are found, all of which persist in the Newtonian (low-velocity) limit. The treatment of chemical reactions is incorporated into the formalism in a consistent manner, resulting in a derivation of the law for rate of production, and in relating this law to transport processes differently than suggested previously. The Newtonian limit is discussed in detail to establish the physical interpretation of the various terms of T/sup alphabeta/. In this limit, the interpretation hinges on that of the velocity field characterizing the fluid. If it is identified with the average matter velocity following from a consideration of the number densities, the usual local conservation laws of Newtonian nonequilibrium thermodynamics are obtained, including that of mass. However, a slightly different identification allows conversion of mass into energy even in this limit, and thus a macroscopic treatment of nuclear or elementary particle reactions. The relation of our results to previous work is discussed in some detail
REA, The Editors of
2012-01-01
REA's Essentials provide quick and easy access to critical information in a variety of different fields, ranging from the most basic to the most advanced. As its name implies, these concise, comprehensive study guides summarize the essentials of the field covered. Essentials are helpful when preparing for exams, doing homework and will remain a lasting reference source for students, teachers, and professionals. Thermodynamics I includes review of properties and states of a pure substance, work and heat, energy and the first law of thermodynamics, entropy and the second law of thermodynamics
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
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)
Modern engineering thermodynamics
Balmer, Robert T
2010-01-01
Designed for use in a standard two-semester engineering thermodynamics course sequence. The first half of the text contains material suitable for a basic Thermodynamics course taken by engineers from all majors. The second half of the text is suitable for an Applied Thermodynamics course in mechanical engineering programs. The text has numerous features that are unique among engineering textbooks, including historical vignettes, critical thinking boxes, and case studies. All are designed to bring real engineering applications into a subject that can be somewhat abstract and mathematica
Chemical kinetics, thermodynamics and the interpretation of in vivo processes - Part I
International Nuclear Information System (INIS)
Ferreira, R.
1976-01-01
A brief review of thermodynamic and kinetic concepts, the relationships between thermodynamic and kinetic information and the limitations of these concepts when confronted with the problems of biochemical processes and biological evaluation at the molecular level are presented [pt
Thermodynamic data-base for metal fluorides
Energy Technology Data Exchange (ETDEWEB)
Yoo, Jae Hyung; Lee, Byung Gik; Kang, Young Ho and others
2001-05-01
This study is aimed at collecting useful data of thermodynamic properties of various metal fluorides. Many thermodynamic data for metal fluorides are needed for the effective development, but no report of data-base was published. Accordingly, the objective of this report is to rearrange systematically the existing thermodynamic data based on metal fluorides and is to use it as basic data for the development of pyrochemical process. The physicochemical properties of various metal fluorides and metals were collected from literature and such existing data base as HSC code, TAPP code, FACT code, JANAF table, NEA data-base, CRC handbook. As major contents of the thermodynamic data-base, the physicochemical properties such as formation energy, viscosity, density, vapor pressure, etc. were collected. Especially, some phase diagrams of eutectic molten fluorides are plotted and thermodynamic data of liquid metals are also compiled. In the future, the technical report is to be used as basic data for the development of the pyrochemical process which is being carried out as a long-term nuclear R and D project.
Thermodynamic data-base for metal fluorides
International Nuclear Information System (INIS)
Yoo, Jae Hyung; Lee, Byung Gik; Kang, Young Ho and others
2001-05-01
This study is aimed at collecting useful data of thermodynamic properties of various metal fluorides. Many thermodynamic data for metal fluorides are needed for the effective development, but no report of data-base was published. Accordingly, the objective of this report is to rearrange systematically the existing thermodynamic data based on metal fluorides and is to use it as basic data for the development of pyrochemical process. The physicochemical properties of various metal fluorides and metals were collected from literature and such existing data base as HSC code, TAPP code, FACT code, JANAF table, NEA data-base, CRC handbook. As major contents of the thermodynamic data-base, the physicochemical properties such as formation energy, viscosity, density, vapor pressure, etc. were collected. Especially, some phase diagrams of eutectic molten fluorides are plotted and thermodynamic data of liquid metals are also compiled. In the future, the technical report is to be used as basic data for the development of the pyrochemical process which is being carried out as a long-term nuclear R and D project
THERMODYNAMIC MODELING AND FIRST-PRINCIPLES CALCULATIONS
Energy Technology Data Exchange (ETDEWEB)
Turchi, P; Abrikosov, I; Burton, B; Fries, S; Grimvall, G; Kaufman, L; Korzhavyi, P; Manga, R; Ohno, M; Pisch, A; Scott, A; Zhang, W
2005-12-15
The increased application of quantum mechanical-based methodologies to the study of alloy stability has required a re-assessment of the field. The focus is mainly on inorganic materials in the solid state. In a first part, after a brief overview of the so-called ab initio methods with their approximations, constraints, and limitations, recommendations are made for a good usage of first-principles codes with a set of qualifiers. Examples are given to illustrate the power and the limitations of ab initio codes. However, despite the ''success'' of these methodologies, thermodynamics of complex multi-component alloys, as used in engineering applications, requires a more versatile approach presently afforded within CALPHAD. Hence, in a second part, the links that presently exist between ab initio methodologies, experiments, and CALPHAD approach are examined with illustrations. Finally, the issues of dynamical instability and of the role of lattice vibrations that still constitute the subject of ample discussions within the CALPHAD community are revisited in the light of the current knowledge with a set of recommendations.
Theoretical physics 5 thermodynamics
Nolting, Wolfgang
2017-01-01
This concise textbook offers a clear and comprehensive introduction to thermodynamics, one of the core components of undergraduate physics courses. It follows on naturally from the previous volumes in this series, defining macroscopic variables, such as internal energy, entropy and pressure,together with thermodynamic principles. The first part of the book introduces the laws of thermodynamics and thermodynamic potentials. More complex themes are covered in the second part of the book, which describes phases and phase transitions in depth. Ideally suited to undergraduate students with some grounding in classical mechanics, the book is enhanced throughout with learning features such as boxed inserts and chapter summaries, with key mathematical derivations highlighted to aid understanding. The text is supported by numerous worked examples and end of chapter problem sets. About the Theoretical Physics series Translated from the renowned and highly successful German editions, the eight volumes of this series cove...
Elements of chemical thermodynamics
Nash, Leonard K
2005-01-01
This survey of purely thermal data in calculating the position of equilibrium in a chemical reaction highlights the physical content of thermodynamics, as distinct from purely mathematical aspects. 1970 edition.
Elements of statistical thermodynamics
Nash, Leonard K
2006-01-01
Encompassing essentially all aspects of statistical mechanics that appear in undergraduate texts, this concise, elementary treatment shows how an atomic-molecular perspective yields new insights into macroscopic thermodynamics. 1974 edition.
Electrochemical thermodynamic measurement system
Reynier, Yvan [Meylan, FR; Yazami, Rachid [Los Angeles, CA; Fultz, Brent T [Pasadena, CA
2009-09-29
The present invention provides systems and methods for accurately characterizing thermodynamic and materials properties of electrodes and electrochemical energy storage and conversion systems. Systems and methods of the present invention are configured for simultaneously collecting a suite of measurements characterizing a plurality of interconnected electrochemical and thermodynamic parameters relating to the electrode reaction state of advancement, voltage and temperature. Enhanced sensitivity provided by the present methods and systems combined with measurement conditions that reflect thermodynamically stabilized electrode conditions allow very accurate measurement of thermodynamic parameters, including state functions such as the Gibbs free energy, enthalpy and entropy of electrode/electrochemical cell reactions, that enable prediction of important performance attributes of electrode materials and electrochemical systems, such as the energy, power density, current rate and the cycle life of an electrochemical cell.
International Nuclear Information System (INIS)
Bekenstein, J.D.
1980-01-01
Including black holes in the scheme of thermodynamics has disclosed a deep-seated connection between gravitation, heat and the quantum that may lead us to a synthesis of the corresponding branches of physics
Polyelectrolytes thermodynamics and rheology
P M, Visakh; Picó, Guillermo Alfredo
2014-01-01
This book discusses current development of theoretical models and experimental findings on the thermodynamics of polyelectrolytes. Particular emphasis is placed on the rheological description of polyelectrolyte solutions and hydrogels.
International Nuclear Information System (INIS)
Hamm, L.L.; Van Brunt, V.
1982-08-01
A comparison of implicit Runge-Kutta and orthogonal collocation methods is made for the numerical solution to the ordinary differential equation which describes the high-pressure vapor-liquid equilibria of a binary system. The systems of interest are limited to binary solubility systems where one of the components is supercritical and exists as a noncondensable gas in the pure state. Of the two methods - implicit Runge-Kuta and orthogonal collocation - this paper attempts to present some preliminary but not necessarily conclusive results that the implicit Runge-Kutta method is superior for the solution to the ordinary differential equation utilized in the thermodynamic consistency testing of binary solubility systems. Due to the extreme nonlinearity of thermodynamic properties in the region near the critical locus, an extended cubic spline fitting technique is devised for correlating the P-x data. The least-squares criterion is employed in smoothing the experimental data. Even though the derivation is presented specifically for the correlation of P-x data, the technique could easily be applied to any thermodynamic data by changing the endpoint requirements. The volumetric behavior of the systems must be given or predicted in order to perform thermodynamic consistency tests. A general procedure is developed for predicting the volumetric behavior required and some indication as to the expected limit of accuracy is given
Black hole thermodynamics under the microscope
Falls, Kevin; Litim, Daniel F.
2014-04-01
A coarse-grained version of the effective action is used to study the thermodynamics of black holes, interpolating from largest to smallest masses. The physical parameters of the black hole are linked to the running couplings by thermodynamics, and the corresponding equation of state includes quantum corrections for temperature, specific heat, and entropy. If quantum gravity becomes asymptotically safe, the state function predicts conformal scaling in the limit of small horizon area and bounds on black hole mass and temperature. A metric-based derivation for the equation of state and quantum corrections to the thermodynamical, statistical, and phenomenological definition of entropy are also given. Further implications and limitations of our study are discussed.
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...
On the application of thermodynamics of corrosion for service life design of concrete structures
DEFF Research Database (Denmark)
Küter, Andre; Geiker, Mette Rica; Møller, Per
2010-01-01
There are unexploited possibilities in the application of thermodynamics of corrosion for service life design (SLD) of concrete structures. Thermodynamics provides means for insightful descriptions of corrosion mechanisms and of corrosion protection mechanisms. Strategies for corrosion protection...... of the application of thermodynamics for SLD and gives examples of two applications: description of corrosion processes and design of countermeasures. Emphasis is set on chloride induced corrosion....... can be based on thermodynamically consistent corrosion mechanisms and evaluation of existing and design of new countermeasures can be performed using thermodynamics. Similarly, materials concepts for embedded electrodes can be designed using thermodynamics. The present paper provides a brief outline...
International Nuclear Information System (INIS)
Garvie, R.C.
1985-01-01
A thermodynamic analysis was made of a simple model comprising a transforming t-ZrO 2 microcrystal of size d constrained in a matrix subjected to a hydrostatic tensile stress field. The field generated a critical size range such that a t-particle transformed if dsub(cl) < d < dsub(cu). The lower limit dsub(cl) exists because at this point the maximum energy (supplied by the applied stress) which can be taken up by the crystal is insufficient to drive the transformation. The upper limit dsub(cu) is a consequence of the microcrystal being so large that it transforms spontaneously when the material is cooled to room temperature. Using the thermodynamic (Griffith) approach and assuming that transformation toughening is due to the dilational strain energy, this mechanism accounted for about one-third of the total observed effective surface energy in a peak-aged Ca-PSZ alloy. (author)
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.
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)
The Thermodynamics of Internal Combustion Engines: Examples of Insights
Directory of Open Access Journals (Sweden)
Jerald A. Caton
2018-05-01
Full Text Available A major goal of the development of internal combustion (IC engines continues to be higher performance and efficiencies. A major aspect of achieving higher performance and efficiencies is based on fundamental thermodynamics. Both the first and second laws of thermodynamics provide strategies for and limits to the thermal efficiencies of engines. The current work provides three examples of the insights that thermodynamics provides to the performance and efficiencies of an IC engine. The first example evaluates low heat rejection engine concepts, and, based on thermodynamics, demonstrates the difficulty of this concept for increasing efficiencies. The second example compares and contrasts the thermodynamics associated with external and internal exhaust gas dilution. Finally, the third example starts with a discussion of the Otto cycle analysis and explains why this is an incorrect model for the IC engine. An important thermodynamic property that is responsible for many of the observed effects is specific heat.
The calculation of thermodynamic properties of molecules
DEFF Research Database (Denmark)
van Speybroeck, Veronique; Gani, Rafiqul; Meier, Robert Johan
2010-01-01
Thermodynamic data are key in the understanding and design of chemical processes. Next to the experimental evaluation of such data, computational methods are valuable and sometimes indispensable tools in obtaining heats of formation and Gibbs free energies. The major toolboxes to obtain such quan......Thermodynamic data are key in the understanding and design of chemical processes. Next to the experimental evaluation of such data, computational methods are valuable and sometimes indispensable tools in obtaining heats of formation and Gibbs free energies. The major toolboxes to obtain...... molecules the combination of group contribution methods with group additive values that are determined with the best available computational ab initio methods seems to be a viable alternative to obtain thermodynamic properties near chemical accuracy. New developments and full use of existing tools may lead...
Towards a thermodynamics of active matter.
Takatori, S C; Brady, J F
2015-03-01
Self-propulsion allows living systems to display self-organization and unusual phase behavior. Unlike passive systems in thermal equilibrium, active matter systems are not constrained by conventional thermodynamic laws. A question arises, however, as to what extent, if any, can concepts from classical thermodynamics be applied to nonequilibrium systems like active matter. Here we use the new swim pressure perspective to develop a simple theory for predicting phase separation in active matter. Using purely mechanical arguments we generate a phase diagram with a spinodal and critical point, and define a nonequilibrium chemical potential to interpret the "binodal." We provide a generalization of thermodynamic concepts like the free energy and temperature for nonequilibrium active systems. Our theory agrees with existing simulation data both qualitatively and quantitatively and may provide a framework for understanding and predicting the behavior of nonequilibrium active systems.
Thermodynamic optimization of geometry in engineering flow systems
Energy Technology Data Exchange (ETDEWEB)
Bejan, A.; Jones, J.A. [Duke Univ., Durham, NC (United States)
2000-07-01
This review draws attention to an emerging body of work that relies on global thermodynamic optimization in the pursuit of flow system architecture. Exergy analysis establishes the theoretical performance limit. Thermodynamic optimization (or entropy generation minimization) brings the design as closely as permissible to the theoretical limit. The design is destined to remain imperfect because of constraints (finite sizes, times, and costs). Improvements are registered by spreading the imperfection (e.g., flow resistances) through the system. Resistances compete against each other and must be optimized together. Optimal spreading means spatial distribution, geometric form, topology, and geography. System architecture springs out of constrained global optimization. The principle is illustrated by simple examples: the optimization of dimensions, spacings, and the distribution (allocation) of heat transfer surface to the two heat exchangers of a power plant. Similar opportunities for deducing flow architecture exist in more complex systems for power and refrigeration. Examples show that the complete structure of heat exchangers for environmental control systems of aircraft can be derived based on this principle. (authors)
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
Stability of black holes based on horizon thermodynamics
Directory of Open Access Journals (Sweden)
Meng-Sen Ma
2015-12-01
Full Text Available On the basis of horizon thermodynamics we study the thermodynamic stability of black holes constructed in general relativity and Gauss–Bonnet gravity. In the framework of horizon thermodynamics there are only five thermodynamic variables E, P, V, T, S. It is not necessary to consider concrete matter fields, which may contribute to the pressure of black hole thermodynamic system. In non-vacuum cases, we can derive the equation of state, P=P(V,T. According to the requirements of stable equilibrium in conventional thermodynamics, we start from these thermodynamic variables to calculate the heat capacity at constant pressure and Gibbs free energy and analyze the local and global thermodynamic stability of black holes. It is shown that P>0 is the necessary condition for black holes in general relativity to be thermodynamically stable, however this condition cannot be satisfied by many black holes in general relativity. For black hole in Gauss–Bonnet gravity negative pressure can be feasible, but only local stable black hole exists in this case.
Thermodynamics, Entropy, Information and the Efficiency of Solar Cells
Abrams, Zeev R.
For well over 50 years, the limits to photovoltaic energy conversion have been known and codified, and have played a vital role in the push for technological breakthroughs to reach—and even attempt to surpass—those limits. This limit, known as the Shockley-Queisser detailed-balance limit, was found by using only the most basic of thermodynamic assumptions, and therefore provides an upper bound that is difficult to contest without violating the laws of thermodynamics. Many different schemes have been devised to improve a solar cell's efficiency beyond this limit, with various benefits and drawbacks for each method. Since the field of solar cell research has been analyzed and dissected for so long by a large variety of researchers, it is quite hard to say or discover anything new without repeating the work of the past. The approach taken in this work is to analyze solar cells from the joint perspective of thermodynamics and information theory. These two subjects have recently been appreciated to be highly interrelated, and using the formalism of Missing Information, we can differentiate between different novel technologies, as well as devise new limits for new and existing methodologies. In this dissertation, the fundamentals of photovoltaic conversion are analyzed from the most basic of principles, emphasizing the thermodynamic parameters of the photovoltaic process. In particular, an emphasis is made on the voltage of the device, as opposed to the current. This emphasis is made since there is a direct relation between the open-circuit voltage of a solar cell and the fundamental equations of thermodynamics and the Free Energy of the system. Moreover, this relation extends to the entropy of the system, which subsequently relates to the field of Information Theory. By focusing on the voltage instead of the current, realizations are made that are not obvious to the majority or researchers in the field, and in particular to efforts of surpassing the Shockley
DEFF Research Database (Denmark)
Westerhoff, Hans V.; Jensen, Peter Ruhdal; Snoep, Jacky L.
1998-01-01
-called emergent properties. Tendency towards increased entropy is an essential determinant for the behaviour of ideal gas mixtures, showing that even in the simplest physical/chemical systems, (dys)organisation of components is crucial for the behaviour of systems. This presentation aims at illustrating...... that the behaviour of two functionally interacting biological components (molecules, protein domains, pathways, organelles) differs from the behaviour these components would exhibit in isolation from one another, where the difference should be essential for the maintenance and growth of the living state, For a true...... understanding of this BioComplexity, modem thermodynamic concepts and methods (nonequilibrium thermodynamics, metabolic and hierarchical control analysis) will be needed. We shall propose to redefine nonequilibrium thermodynamics as: The science that aims at understanding the behaviour of nonequilibrium systems...
Thermodynamics of Crystalline States
Fujimoto, Minoru
2010-01-01
Thermodynamics is a well-established discipline of physics for properties of matter in thermal equilibrium surroundings. Applying to crystals, however, the laws encounter undefined properties of crystal lattices, which therefore need to be determined for a clear and well-defined description of crystalline states. Thermodynamics of Crystalline States explores the roles played by order variables and dynamic lattices in crystals in a wholly new way. This book is divided into three parts. The book begins by clarifying basic concepts for stable crystals. Next, binary phase transitions are discussed to study collective motion of order variables, as described mostly as classical phenomena. In the third part, the multi-electron system is discussed theoretically, as a quantum-mechanical example, for the superconducting state in metallic crystals. Throughout the book, the role played by the lattice is emphasized and examined in-depth. Thermodynamics of Crystalline States is an introductory treatise and textbook on meso...
Concise chemical thermodynamics
Peters, APH
2010-01-01
EnergyThe Realm of ThermodynamicsEnergy BookkeepingNature's Driving ForcesSetting the Scene: Basic IdeasSystem and SurroundingsFunctions of StateMechanical Work and Expanding GasesThe Absolute Temperature Scale Forms of Energy and Their Interconversion Forms of Renewable Energy Solar Energy Wind Energy Hydroelectric Power Geothermal Energy Biomass Energy References ProblemsThe First Law of Thermodynamics Statement of the First Law Reversible Expansion of an Ideal GasConstant-Volume ProcessesConstant-Pressure ProcessesA New Function: EnthalpyRelationship between ?H and ?UUses and Conventions of
REA, The Editors of
2013-01-01
REA's Essentials provide quick and easy access to critical information in a variety of different fields, ranging from the most basic to the most advanced. As its name implies, these concise, comprehensive study guides summarize the essentials of the field covered. Essentials are helpful when preparing for exams, doing homework and will remain a lasting reference source for students, teachers, and professionals. Thermodynamics II includes review of thermodynamic relations, power and refrigeration cycles, mixtures and solutions, chemical reactions, chemical equilibrium, and flow through nozzl
Wong, Kaufui Vincent
2011-01-01
Praise for the First Edition from Students: "It is a great thermodynamics text…I loved it!-Mathew Walters "The book is comprehensive and easy to understand. I love the real world examples and problems, they make you feel like you are learning something very practical."-Craig Paxton"I would recommend the book to friends."-Faure J. Malo-Molina"The clear diction, as well as informative illustrations and diagrams, help convey the material clearly to the reader."-Paul C. Start"An inspiring and effective tool for any aspiring scientist or engineer. Definitely the best book on Classical Thermodynamics out."-Seth Marini.
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.
Thermodynamic analysis of pumped thermal electricity storage
International Nuclear Information System (INIS)
White, Alexander; Parks, Geoff; Markides, Christos N.
2013-01-01
The increasing use of renewable energy technologies for electricity generation, many of which have an unpredictably intermittent nature, will inevitably lead to a greater need for electricity storage. Although there are many existing and emerging storage technologies, most have limitations in terms of geographical constraints, high capital cost or low cycle life, and few are of sufficient scale (in terms of both power and storage capacity) for integration at the transmission and distribution levels. This paper is concerned with a relatively new concept which will be referred to here as Pumped Thermal Electricity Storage (PTES), and which may be able to make a significant contribution towards future storage needs. During charge, PTES makes use of a high temperature ratio heat pump to convert electrical energy into thermal energy which is stored as ‘sensible heat’ in two thermal reservoirs, one hot and one cold. When required, the thermal energy is then converted back to electricity by effectively running the heat pump backwards as a heat engine. The paper focuses on thermodynamic aspects of PTES, including energy and power density, and the various sources of irreversibility and their impact on round-trip efficiency. It is shown that, for given compression and expansion efficiencies, the cycle performance is controlled chiefly by the ratio between the highest and lowest temperatures in each reservoir rather than by the cycle pressure ratio. The sensitivity of round-trip efficiency to various loss parameters has been analysed and indicates particular susceptibility to compression and expansion irreversibility
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...
Fundamental aspects of plasma chemical physics Thermodynamics
Capitelli, Mario; D'Angola, Antonio
2012-01-01
Fundamental Aspects of Plasma Chemical Physics - Thermodynamics develops basic and advanced concepts of plasma thermodynamics from both classical and statistical points of view. After a refreshment of classical thermodynamics applied to the dissociation and ionization regimes, the book invites the reader to discover the role of electronic excitation in affecting the properties of plasmas, a topic often overlooked by the thermal plasma community. Particular attention is devoted to the problem of the divergence of the partition function of atomic species and the state-to-state approach for calculating the partition function of diatomic and polyatomic molecules. The limit of ideal gas approximation is also discussed, by introducing Debye-Huckel and virial corrections. Throughout the book, worked examples are given in order to clarify concepts and mathematical approaches. This book is a first of a series of three books to be published by the authors on fundamental aspects of plasma chemical physics. The next bo...
Experimental thermodynamics experimental thermodynamics of non-reacting fluids
Neindre, B Le
2013-01-01
Experimental Thermodynamics, Volume II: Experimental Thermodynamics of Non-reacting Fluids focuses on experimental methods and procedures in the study of thermophysical properties of fluids. The selection first offers information on methods used in measuring thermodynamic properties and tests, including physical quantities and symbols for physical quantities, thermodynamic definitions, and definition of activities and related quantities. The text also describes reference materials for thermometric fixed points, temperature measurement under pressures, and pressure measurements. The publicatio
Thermodynamic Optimality criteria for biological systems in linear irreversible thermodynamics
International Nuclear Information System (INIS)
Chimal, J C; Sánchez, N; Ramírez, PR
2017-01-01
In this paper the methodology of the so-called Linear Irreversible Thermodynamics (LIT) is applied; although traditionally used locally to study general systems in non-equilibrium states in which it is consider both internal and external contributions to the entropy increments in order to analyze the efficiency of two coupled processes with generalized fluxes J 1 , J 2 and their corresponding forces X 1 , X 2 . We extend the former analysis to takes into account two different operating regimes namely: Omega Function and Efficient Power criterion, respectively. Results show analogies in the optimal performance between and we can say that there exist a criteria of optimization which can be used specially for biological systems where a good design of the biological parameters made by nature at maximum efficient power conditions lead to more efficient engines than those at the maximum power conditions or ecological conditions. (paper)
A New Thermodynamics from Nuclei to Stars
Directory of Open Access Journals (Sweden)
Dieter H.E. Gross
2004-03-01
Full Text Available Abstract: Equilibrium statistics of Hamiltonian systems is correctly described by the microcanonical ensemble. Classically this is the manifold of all points in the N-body phase space with the given total energy. Due to Boltzmann's principle, eS=tr(ÃŽÂ´(E-H, its geometrical size is related to the entropy S(E,N,.... This definition does not invoke any information theory, no thermodynamic limit, no extensivity, and no homogeneity assumption, as are needed in conventional (canonical thermo-statistics. Therefore, it describes the equilibrium statistics of extensive as well of non-extensive systems. Due to this fact it is the fundamental definition of any classical equilibrium statistics. It can address nuclei and astrophysical objects as well. All kind of phase transitions can be distinguished sharply and uniquely for even small systems. It is further shown that the second law is a natural consequence of the statistical nature of thermodynamics which describes all systems with the same -- redundant -- set of few control parameters simultaneously. It has nothing to do with the thermodynamic limit. It even works in systems which are by far than any thermodynamic "limit".
Thermodynamic properties of α-uranium
International Nuclear Information System (INIS)
Ren, Zhiyong; Wu, Jun; Ma, Rong; Hu, Guichao; Luo, Chao
2016-01-01
The lattice constants and equilibrium atomic volume of α-uranium were calculated by Density Functional Theory (DFT). The first principles calculation results of the lattice for α-uranium are in agreement with the experimental results well. The thermodynamic properties of α-uranium from 0 to 900 K and 0–100 GPa were calculated with the quasi-harmonic Debye model. Volume, bulk modulus, entropy, Debye temperature, thermal expansion coefficient and the heat capacity of α-uranium were calculated. The calculated results show that the bulk modulus and Debye temperature increase with the increasing pressure at a given temperature while decreasing with the increasing temperature at a given pressure. Volume, entropy, thermal expansion coefficient and the heat capacity decrease with the increasing pressure while increasing with the increasing temperature. The theoretical results of entropy, Debye temperature, thermal expansion coefficient and the heat capacity show good agreement with the general trends of the experimental values. The constant-volume heat capacity shows typical Debye T"3 power-law behavior at low temperature limit and approaches to the classical asymptotic Dulong-Petit limit at high temperature limit. - Highlights: • Thermodynamic properties of α-U were predicted systematically with quasi-harmonic Debye model. • Summarizations of the corresponding experimental and theoretical results have been made for the EOS and other thermodynamic parameters. • The calculated thermodynamic properties show good agreement with the experimental results in general trends.
Thermodynamic properties of α-uranium
Energy Technology Data Exchange (ETDEWEB)
Ren, Zhiyong; Wu, Jun; Ma, Rong; Hu, Guichao; Luo, Chao, E-mail: luochaoboss@sohu.com
2016-11-15
The lattice constants and equilibrium atomic volume of α-uranium were calculated by Density Functional Theory (DFT). The first principles calculation results of the lattice for α-uranium are in agreement with the experimental results well. The thermodynamic properties of α-uranium from 0 to 900 K and 0–100 GPa were calculated with the quasi-harmonic Debye model. Volume, bulk modulus, entropy, Debye temperature, thermal expansion coefficient and the heat capacity of α-uranium were calculated. The calculated results show that the bulk modulus and Debye temperature increase with the increasing pressure at a given temperature while decreasing with the increasing temperature at a given pressure. Volume, entropy, thermal expansion coefficient and the heat capacity decrease with the increasing pressure while increasing with the increasing temperature. The theoretical results of entropy, Debye temperature, thermal expansion coefficient and the heat capacity show good agreement with the general trends of the experimental values. The constant-volume heat capacity shows typical Debye T{sup 3} power-law behavior at low temperature limit and approaches to the classical asymptotic Dulong-Petit limit at high temperature limit. - Highlights: • Thermodynamic properties of α-U were predicted systematically with quasi-harmonic Debye model. • Summarizations of the corresponding experimental and theoretical results have been made for the EOS and other thermodynamic parameters. • The calculated thermodynamic properties show good agreement with the experimental results in general trends.
Method of core thermodynamic reliability determination in pressurized water reactors
Energy Technology Data Exchange (ETDEWEB)
Ackermann, G.; Horche, W. (Ingenieurhochschule Zittau (German Democratic Republic). Sektion Kraftwerksanlagenbau und Energieumwandlung)
1983-01-01
A statistical model appropriate to determine the thermodynamic reliability and the power-limiting parameter of PWR cores is described for cases of accidental transients. The model is compared with the hot channel model hitherto applied.
Method of core thermodynamic reliability determination in pressurized water reactors
International Nuclear Information System (INIS)
Ackermann, G.; Horche, W.
1983-01-01
A statistical model appropriate to determine the thermodynamic reliability and the power-limiting parameter of PWR cores is described for cases of accidental transients. The model is compared with the hot channel model hitherto applied. (author)
Black Hole Thermodynamics in an Undergraduate Thermodynamics Course.
Parker, Barry R.; McLeod, Robert J.
1980-01-01
An analogy, which has been drawn between black hole physics and thermodynamics, is mathematically broadened in this article. Equations similar to the standard partial differential relations of thermodynamics are found for black holes. The results can be used to supplement an undergraduate thermodynamics course. (Author/SK)
Correct thermodynamic forces in Tsallis thermodynamics: connection with Hill nanothermodynamics
International Nuclear Information System (INIS)
Garcia-Morales, Vladimir; Cervera, Javier; Pellicer, Julio
2005-01-01
The equivalence between Tsallis thermodynamics and Hill's nanothermodynamics is established. The correct thermodynamic forces in Tsallis thermodynamics are pointed out. Through this connection we also find a general expression for the entropic index q which we illustrate with two physical examples, allowing in both cases to relate q to the underlying dynamics of the Hamiltonian systems
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.
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.
New perspectives in thermodynamics
International Nuclear Information System (INIS)
Serrin, J.
1986-01-01
The last decade has seen a unity of method and approach in the foundations of thermodynamics and continuum mechanics, in which rigorous laws of thermodynamics have been combined with invariance notions of mechanics to produce new and deep understanding. Real progress has been made in finding a set of appropriate concepts for classical thermodynamics, by which energy conservation and the Clausius inequality can be given well-defined meanings for arbitrary processes and which allow an approach to the entropy concept which is free of traditional ambiguities. There has been, moreover, a careful scrutiny of long established but nevertheless not sharply defined concepts such as the Maxwell equal-area rule, the famous Gibbs phase rule, and the equivalence of work and heat. The thirteen papers in this volume accordingly gather together for the first time the many ideas and concepts which have raised classical thermodynamics from a heuristic and intuitive science to the level of precision presently demanded of other branches of mathematical physics
Thermodynamics and statistical mechanics
Landsberg, Peter T
1990-01-01
Exceptionally articulate treatment combines precise mathematical style with strong physical intuition. Wide range of applications includes negative temperatures, negative heat capacities, special and general relativistic effects, black hole thermodynamics, gravitational collapse, more. Over 100 problems with worked solutions. Advanced undergraduate, graduate level. Table of applications. Useful formulas and other data.
Thermodynamic stabilization of colloids
Stol, R.J.; Bruyn, P.L. de
An analysis is given of the conditions necessary for obtaining a thermodynamically stable dispersion (TSD) of solid particles in a continuous aqueous solution phase. The role of the adsorption of potential-determining ions at the planar interface in lowering the interfacial free energy (γ) to
Chemical thermodynamics. An introduction
Energy Technology Data Exchange (ETDEWEB)
Keszei, Ernoe [Budapest Univ. (Hungary). Dept. of Physical Chemistry
2012-07-01
Eminently suitable as a required textbook comprising complete material for or an undergraduate chemistry major course in chemical thermodynamics. Clearly explains details of formal derivations that students can easily follow and so master applied mathematical operations. Offers problems and solutions at the end of each chapter for self-test and self- or group study. This course-derived undergraduate textbook provides a concise explanation of the key concepts and calculations of chemical thermodynamics. Instead of the usual 'classical' introduction, this text adopts a straightforward postulatory approach that introduces thermodynamic potentials such as entropy and energy more directly and transparently. Structured around several features to assist students' understanding, Chemical Thermodynamics: - Develops applications and methods for the ready treatment of equilibria on a sound quantitative basis. - Requires minimal background in calculus to understand the text and presents formal derivations to the student in a detailed but understandable way. - Offers end-of-chapter problems (and answers) for self-testing and review and reinforcement, of use for self- or group study. This book is suitable as essential reading for courses in a bachelor and master chemistry program and is also valuable as a reference or textbook for students of physics, biochemistry and materials science.
Thermodynamics applied. Where? Why?
Hirs, Gerard
2003-01-01
In recent years, thermodynamics has been applied in a number of new fields leading to a greater societal impact. This paper gives a survey of these new fields and the reasons why these applications are important. In addition, it is shown that the number of fields could be even greater in the future
Thermodynamics, applied. : Where? why?
Hirs, Gerard
1999-01-01
In recent years thermodynamics has been applied in a number of new fields leading to a greater societal impact. The paper gives a survey of these new fields and the reasons why these applications are important. In addition it is shown that the number of fields could be even greater in the future and
Nonequilibrium thermodynamics of nucleation
Schweizer, M.; Sagis, L.M.C.
2014-01-01
We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a
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…
Riemannian geometry of thermodynamics and systems with repulsive power-law interactions.
Ruppeiner, George
2005-07-01
A Riemannian geometric theory of thermodynamics based on the postulate that the curvature scalar R is proportional to the inverse free energy density is used to investigate three-dimensional fluid systems of identical classical point particles interacting with each other via a power-law potential energy gamma r(-alpha) . Such systems are useful in modeling melting transitions. The limit alpha-->infinity corresponds to the hard sphere gas. A thermodynamic limit exists only for short-range (alpha>3) and repulsive (gamma>0) interactions. The geometric theory solutions for given alpha>3 , gamma>0 , and any constant temperature T have the following properties: (1) the thermodynamics follows from a single function b (rho T(-3/alpha) ) , where rho is the density; (2) all solutions are equivalent up to a single scaling constant for rho T(-3/alpha) , related to gamma via the virial theorem; (3) at low density, solutions correspond to the ideal gas; (4) at high density there are solutions with pressure and energy depending on density as expected from solid state physics, though not with a Dulong-Petit heat capacity limit; (5) for 33.7913 a phase transition is required to go between these regimes; (7) for any alpha>3 we may include a first-order phase transition, which is expected from computer simulations; and (8) if alpha-->infinity, the density approaches a finite value as the pressure increases to infinity, with the pressure diverging logarithmically in the density difference.
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.
Choice of the thermodynamic variables
International Nuclear Information System (INIS)
Balian, R.
1985-09-01
Some basic ideas of thermodynamics and statistical mechanics, both at equilibrium and off equilibrium, are recalled. In particular, the selection of relevant variables which underlies any macroscopic description is discussed, together with the meaning of the various thermodynamic quantities, in order to set the thermodynamic approaches used in nuclear physics in a general prospect [fr
Ubertini, Pietro; Sidoli, L.; Sguera, V.; Bazzano, A.
2009-12-01
Supergiant Fast X-ray Transients (SFXTs) are one of the most interesting (and unexpected) results of the INTEGRAL mission. They are a new class of HMXBs displaying short hard X-ray outbursts (duration less tha a day) characterized by fast flares (few hours timescale) and large dinamic range (10E3-10E4). The physical mechanism driving their peculiar behaviour is still unclear and highly debated: some models involve the structure of the supergiant companion donor wind (likely clumpy, in a spherical or non spherical geometry) and the orbital properties (wide separation with eccentric or circular orbit), while others involve the properties of the neutron star compact object and invoke very low magnetic field values (B 1E14 G, magnetars). The picture is still highly unclear from the observational point of view as well: no cyclotron lines have been detected in the spectra, thus the strength of the neutron star magnetic field is unknown. Orbital periods have been measured in only 4 systems, spanning from 3.3 days to 165 days. Even the duty cycle seems to be quite different from source to source. The Energetic X-ray Imaging Survey Telescope (EXIST), with its hard X-ray all-sky survey and large improved limiting sensitivity, will allow us to get a clearer picture of SFXTs. A complete census of their number is essential to enlarge the sample. A long term and continuous as possible X-ray monitoring is crucial to -(1) obtain the duty cycle, -(2 )investigate their unknown orbital properties (separation, orbital period, eccentricity),- (3) to completely cover the whole outburst activity, (4)-to search for cyclotron lines in the high energy spectra. EXIST observations will provide crucial informations to test the different models and shed light on the peculiar behaviour of SFXTs.
A thermodynamic perspective to study energy performance of vacuum-based membrane dehumidification
Bui, Thuan Duc; Kum Ja, M.; Gordon, Jeffrey M.; Ng, Kim Choon; Chua, Kian Jon
2017-01-01
In humid environments, decoupling the latent and sensible cooling loads - dehumidifying - can significantly improve chiller efficiency. Here, a basic limit for dehumidification efficiency is established from fundamental thermodynamics
A note on the laws of thermodynamics
International Nuclear Information System (INIS)
Dunning-Davies, J.
1984-01-01
It is shown that, while links exist between the second and third laws, between the zeroth and proposed fourther laws and between the zeroth and second laws, no equivalences have been proved. Moreover, for positive absolute temperatures, the second law is seen to imply the zeroth law, provided the validity of the first law is assumed. However, since this result does not hold for negative absolute temperatures, no redundancy among the laws of thermodynamics can be claimed to have been established
Thermodynamic properties of some gallium-based binary alloys
International Nuclear Information System (INIS)
Awe, O.E.; Odusote, Y.A.; Akinlade, O.; Hussain, L.A.
2008-01-01
We have studied the concentration dependence of the free energy of mixing, concentration-concentration fluctuations in the long-wavelength limit, the chemical short-range order parameter, the enthalpy and entropy of mixing of Ga-Zn, Ga-Mg and Al-Ga binary alloys at different temperatures using a quasi-chemical approximation for compound forming binary alloys and that for simple regular alloys. From the study of the thermodynamic quantities, we observed that thermodynamic properties of Ga-Zn and Al-Ga exhibit positive deviations from Raoultian behaviour, while Ga-Mg exhibits negative deviation. Hence, this study reveals that both Ga-Zn and Al-Ga are segregating systems, while chemical order exists in Ga-Mg alloy in the whole concentration range. Furthermore, our investigation indicate that Al-Ga binary alloy have a tendency to exhibit ideal mixture behaviour in the concentration range 0≤c Al ≤0.30 and 0.7≤c Al ≤1
Thermodynamic basis for the emergence of genomes during prebiotic evolution.
Directory of Open Access Journals (Sweden)
Hyung-June Woo
2012-05-01
Full Text Available The RNA world hypothesis views modern organisms as descendants of RNA molecules. The earliest RNA molecules must have been random sequences, from which the first genomes that coded for polymerase ribozymes emerged. The quasispecies theory by Eigen predicts the existence of an error threshold limiting genomic stability during such transitions, but does not address the spontaneity of changes. Following a recent theoretical approach, we applied the quasispecies theory combined with kinetic/thermodynamic descriptions of RNA replication to analyze the collective behavior of RNA replicators based on known experimental kinetics data. We find that, with increasing fidelity (relative rate of base-extension for Watson-Crick versus mismatched base pairs, replications without enzymes, with ribozymes, and with protein-based polymerases are above, near, and below a critical point, respectively. The prebiotic evolution therefore must have crossed this critical region. Over large regions of the phase diagram, fitness increases with increasing fidelity, biasing random drifts in sequence space toward 'crystallization.' This region encloses the experimental nonenzymatic fidelity value, favoring evolutions toward polymerase sequences with ever higher fidelity, despite error rates above the error catastrophe threshold. Our work shows that experimentally characterized kinetics and thermodynamics of RNA replication allow us to determine the physicochemical conditions required for the spontaneous crystallization of biological information. Our findings also suggest that among many potential oligomers capable of templated replication, RNAs may have evolved to form prebiotic genomes due to the value of their nonenzymatic fidelity.
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
Thermodynamics and mechanisms of sintering
International Nuclear Information System (INIS)
Pask, J.A.
1978-10-01
A phenomenological overview and exploration of the thermodynamic and geometric factors play a role in the process of densification of model compact systems consisting of crystalline spheres of uniform size in regular and irregular packing that form grain boundaries at every contact point. A further assumption is the presence of isotropic surface and grain boundary energies. Although such systems are unrealistic in comparison with normal powder compacts, their potential sintering behavior can be analyzed and provided with a limiting set of behavior conditions which can be looked upon as one boundary condition. This approach is logically realistic since it is easier to understand and provide a basis for understanding the more complex real powder systems
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
Statistical Thermodynamics and Microscale Thermophysics
Carey, Van P.
1999-08-01
Many exciting new developments in microscale engineering are based on the application of traditional principles of statistical thermodynamics. In this text Van Carey offers a modern view of thermodynamics, interweaving classical and statistical thermodynamic principles and applying them to current engineering systems. He begins with coverage of microscale energy storage mechanisms from a quantum mechanics perspective and then develops the fundamental elements of classical and statistical thermodynamics. Subsequent chapters discuss applications of equilibrium statistical thermodynamics to solid, liquid, and gas phase systems. The remainder of the book is devoted to nonequilibrium thermodynamics of transport phenomena and to nonequilibrium effects and noncontinuum behavior at the microscale. Although the text emphasizes mathematical development, Carey includes many examples and exercises to illustrate how the theoretical concepts are applied to systems of scientific and engineering interest. In the process he offers a fresh view of statistical thermodynamics for advanced undergraduate and graduate students, as well as practitioners, in mechanical, chemical, and materials engineering.
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)
Demtröder, Wolfgang
2017-01-01
This introduction to classical mechanics and thermodynamics provides an accessible and clear treatment of the fundamentals. Starting with particle mechanics and an early introduction to special relativity this textbooks enables the reader to understand the basics in mechanics. The text is written from the experimental physics point of view, giving numerous real life examples and applications of classical mechanics in technology. This highly motivating presentation deepens the knowledge in a very accessible way. The second part of the text gives a concise introduction to rotational motion, an expansion to rigid bodies, fluids and gases. Finally, an extensive chapter on thermodynamics and a short introduction to nonlinear dynamics with some instructive examples intensify the knowledge of more advanced topics. Numerous problems with detailed solutions are perfect for self study.
Thermodynamical quantum information sharing
International Nuclear Information System (INIS)
Wiesniak, M.; Vedral, V.; Brukner, C.
2005-01-01
Full text: Thermodynamical properties fully originate from classical physics and can be easily measured for macroscopic systems. On the other hand, entanglement is a widely spoken feature of quantum physics, which allows to perform certain task with efficiency unavailable with any classical resource. Therefore an interesting question is whether we can witness entanglement in a state of a macroscopic sample. We show, that some macroscopic properties, in particular magnetic susceptibility, can serve as an entanglement witnesses. We also study a mutual relation between magnetic susceptibility and magnetisation. Such a complementarity exhibits quantum information sharing between these two thermodynamical quantities. Magnetization expresses properties of individual spins, while susceptibility might reveal non-classical correlations as a witness. Therefore, a rapid change of one of these two quantities may mean a phase transition also in terms of entanglement. The complementarity relation is demonstrated by an analytical solution of an exemplary model. (author)
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.
Thermodynamics of Crystalline States
Fujimoto, Minoru
2013-01-01
Thermodynamics is a well-established discipline of physics for properties of matter in thermal equilibrium with the surroundings. Applying to crystals, however, the laws encounter undefined properties of crystal lattice, which therefore need to be determined for a clear and well-defined description of crystalline states. Thermodynamics of Crystalline States explores the roles played by order variables and dynamic lattices in crystals in a wholly new way. The book begins by clarifying basic concepts for stable crystals. Next, binary phase transitions are discussed to study collective motion of order variables, as described mostly as classical phenomena. New to this edition is the examination of magnetic crystals, where magnetic symmetry is essential for magnetic phase transitions. The multi-electron system is also discussed theoretically, as a quantum-mechanical example, for superconductivity in metallic crystals. Throughout the book, the role played by the lattice is emphasized and studied in-depth. Thermod...
Thermodynamics of clan production
International Nuclear Information System (INIS)
Giovannini, Alberto; Lupia, Sergio; Ugoccioni, Roberto
2002-01-01
Scenarios for particle production in the GeV and TeV regions are reviewed. The expected increase with the c.m. energy of the average number of clans for the soft component and the decrease for the semihard one indicate possible classical and quantum behavior of gluons, respectively. Clan thermodynamics, discussed in the paper, appears as the natural framework to deal with such phenomena
Work reservoirs in thermodynamics
International Nuclear Information System (INIS)
Anacleto, Joaquim
2010-01-01
We stress the usefulness of the work reservoir in the formalism of thermodynamics, in particular in the context of the first law. To elucidate its usefulness, the formalism is then applied to the Joule expansion and other peculiar and instructive experimental situations, clarifying the concepts of configuration and dissipative work. The ideas and discussions presented in this study are primarily intended for undergraduate students, but they might also be useful to graduate students, researchers and teachers.
Work reservoirs in thermodynamics
Anacleto, Joaquim
2010-05-01
We stress the usefulness of the work reservoir in the formalism of thermodynamics, in particular in the context of the first law. To elucidate its usefulness, the formalism is then applied to the Joule expansion and other peculiar and instructive experimental situations, clarifying the concepts of configuration and dissipative work. The ideas and discussions presented in this study are primarily intended for undergraduate students, but they might also be useful to graduate students, researchers and teachers.
Quantum Chemical Approach to Estimating the Thermodynamics of Metabolic Reactions
Adrian Jinich; Dmitrij Rappoport; Ian Dunn; Benjamin Sanchez-Lengeling; Roberto Olivares-Amaya; Elad Noor; Arren Bar Even; Alán Aspuru-Guzik
2014-01-01
Thermodynamics plays an increasingly important role in modeling and engineering metabolism. We present the first nonempirical computational method for estimating standard Gibbs reaction energies of metabolic reactions based on quantum chemistry, which can help fill in the gaps in the existing thermodynamic data. When applied to a test set of reactions from core metabolism, the quantum chemical approach is comparable in accuracy to group contribution methods for isomerization and group transfe...
Requirements for existing buildings
DEFF Research Database (Denmark)
Thomsen, Kirsten Engelund; Wittchen, Kim Bjarne
This report collects energy performance requirements for existing buildings in European member states by June 2012.......This report collects energy performance requirements for existing buildings in European member states by June 2012....
Greening Existing Tribal Buildings
Guidance about improving sustainability in existing tribal casinos and manufactured homes. Many steps can be taken to make existing buildings greener and healthier. They may also reduce utility and medical costs.
Thermodynamics of a periodically driven qubit
Donvil, Brecht
2018-04-01
We present a new approach to the open system dynamics of a periodically driven qubit in contact with a temperature bath. We are specifically interested in the thermodynamics of the qubit. It is well known that by combining the Markovian approximation with Floquet theory it is possible to derive a stochastic Schrödinger equation in for the state of the qubit. We follow here a different approach. We use Floquet theory to embed the time-non autonomous qubit dynamics into time-autonomous yet infinite dimensional dynamics. We refer to the resulting infinite dimensional system as the dressed-qubit. Using the Markovian approximation we derive the stochastic Schrödinger equation for the dressed-qubit. The advantage of our approach is that the jump operators are ladder operators of the Hamiltonian. This simplifies the formulation of the thermodynamics. We use the thermodynamics of the infinite dimensional system to recover the thermodynamical description for the driven qubit. We compare our results with the existing literature and recover the known results.
Dynamics and thermodynamics of polymer glasses.
Cangialosi, D
2014-04-16
The fate of matter when decreasing the temperature at constant pressure is that of passing from gas to liquid and, subsequently, from liquid to crystal. However, a class of materials can exist in an amorphous phase below the melting temperature. On cooling such materials, a glass is formed; that is, a material with the rigidity of a solid but exhibiting no long-range order. The study of the thermodynamics and dynamics of glass-forming systems is the subject of continuous research. Within the wide variety of glass formers, an important sub-class is represented by glass forming polymers. The presence of chain connectivity and, in some cases, conformational disorder are unfavourable factors from the point of view of crystallization. Furthermore, many of them, such as amorphous thermoplastics, thermosets and rubbers, are widely employed in many applications. In this review, the peculiarities of the thermodynamics and dynamics of glass-forming polymers are discussed, with particular emphasis on those topics currently the subject of debate. In particular, the following aspects will be reviewed in the present work: (i) the connection between the pronounced slowing down of glassy dynamics on cooling towards the glass transition temperature (Tg) and the thermodynamics; and, (ii) the fate of the dynamics and thermodynamics below Tg. Both aspects are reviewed in light of the possible presence of a singularity at a finite temperature with diverging relaxation time and zero configurational entropy. In this context, the specificity of glass-forming polymers is emphasized.
Advanced thermodynamic (exergetic) analysis
International Nuclear Information System (INIS)
Tsatsaronis, G; Morosuk, T
2012-01-01
Exergy analysis is a powerful tool for developing, evaluating and improving an energy conversion system. However, the lack of a formal procedure in using the results obtained by an exergy analysis is one of the reasons for exergy analysis not being very popular among energy practitioners. Such a formal procedure cannot be developed as long as the interactions among components of the overall system are not being taken properly into account. Splitting the exergy destruction into unavoidable and avoidable parts in a component provides a realistic measure of the potential for improving the thermodynamic efficiency of this component. Alternatively splitting the exergy destruction into endogenous and exogenous parts provides information on the interactions among system components. Distinctions between avoidable and unavoidable exergy destruction on one side and endogenous and exogenous exergy destruction on the other side allow the engineer to focus on the thermodynamic inefficiencies that can be avoided and to consider the interactions among system components. The avoidable endogenous and the avoidable exogenous exergy destruction provide the best guidance for improving the thermodynamic performance of energy conversion systems.
The discovery of thermodynamics
Weinberger, Peter
2013-07-01
Based on the idea that a scientific journal is also an "agora" (Greek: market place) for the exchange of ideas and scientific concepts, the history of thermodynamics between 1800 and 1910 as documented in the Philosophical Magazine Archives is uncovered. Famous scientists such as Joule, Thomson (Lord Kelvin), Clausius, Maxwell or Boltzmann shared this forum. Not always in the most friendly manner. It is interesting to find out, how difficult it was to describe in a scientific (mathematical) language a phenomenon like "heat", to see, how long it took to arrive at one of the fundamental principles in physics: entropy. Scientific progress started from the simple rule of Boyle and Mariotte dating from the late eighteenth century and arrived in the twentieth century with the concept of probabilities. Thermodynamics was the driving intellectual force behind the industrial revolution, behind the enormous social changes caused by this revolution. The history of thermodynamics is a fascinating story, which also gives insights into the mechanism that seem to govern science.
Perturbative string thermodynamics near black hole horizons
International Nuclear Information System (INIS)
Mertens, Thomas G.; Verschelde, Henri; Zakharov, Valentin I.
2015-01-01
We provide further computations and ideas to the problem of near-Hagedorn string thermodynamics near (uncharged) black hole horizons, building upon our earlier work http://dx.doi.org/10.1007/JHEP03(2014)086. The relevance of long strings to one-loop black hole thermodynamics is emphasized. We then provide an argument in favor of the absence of α ′ -corrections for the (quadratic) heterotic thermal scalar action in Rindler space. We also compute the large k limit of the cigar orbifold partition functions (for both bosonic and type II superstrings) which allows a better comparison between the flat cones and the cigar cones. A discussion is made on the general McClain-Roth-O’Brien-Tan theorem and on the fact that different torus embeddings lead to different aspects of string thermodynamics. The black hole/string correspondence principle for the 2d black hole is discussed in terms of the thermal scalar. Finally, we present an argument to deal with arbitrary higher genus partition functions, suggesting the breakdown of string perturbation theory (in g s ) to compute thermodynamical quantities in black hole spacetimes.
Thermodynamic forces in coarse-grained simulations
Noid, William
Atomically detailed molecular dynamics simulations have profoundly advanced our understanding of the structure and interactions in soft condensed phases. Nevertheless, despite dramatic advances in the methodology and resources for simulating atomically detailed models, low-resolution coarse-grained (CG) models play a central and rapidly growing role in science. CG models not only empower researchers to investigate phenomena beyond the scope of atomically detailed simulations, but also to precisely tailor models for specific phenomena. However, in contrast to atomically detailed simulations, which evolve on a potential energy surface, CG simulations should evolve on a free energy surface. Therefore, the forces in CG models should reflect the thermodynamic information that has been eliminated from the CG configuration space. As a consequence of these thermodynamic forces, CG models often demonstrate limited transferability and, moreover, rarely provide an accurate description of both structural and thermodynamic properties. In this talk, I will present a framework that clarifies the origin and impact of these thermodynamic forces. Additionally, I will present computational methods for quantifying these forces and incorporating their effects into CG MD simulations. As time allows, I will demonstrate applications of this framework for liquids, polymers, and interfaces. We gratefully acknowledge the support of the National Science Foundation via CHE 1565631.
Is there a link between selectivity and binding thermodynamics profiles?
Tarcsay, Ákos; Keserű, György M
2015-01-01
Thermodynamics of ligand binding is influenced by the interplay between enthalpy and entropy contributions of the binding event. The impact of these binding free energy components, however, is not limited to the primary target only. Here, we investigate the relationship between binding thermodynamics and selectivity profiles by combining publicly available data from broad off-target assay profiling and the corresponding thermodynamics measurements. Our analysis indicates that compounds binding their primary targets with higher entropy contributions tend to hit more off-targets compared with those ligands that demonstrated enthalpy-driven binding. Copyright © 2014 Elsevier Ltd. All rights reserved.
Generalized Geometric Quantum Speed Limits
Directory of Open Access Journals (Sweden)
Diego Paiva Pires
2016-06-01
Full Text Available The attempt to gain a theoretical understanding of the concept of time in quantum mechanics has triggered significant progress towards the search for faster and more efficient quantum technologies. One of such advances consists in the interpretation of the time-energy uncertainty relations as lower bounds for the minimal evolution time between two distinguishable states of a quantum system, also known as quantum speed limits. We investigate how the nonuniqueness of a bona fide measure of distinguishability defined on the quantum-state space affects the quantum speed limits and can be exploited in order to derive improved bounds. Specifically, we establish an infinite family of quantum speed limits valid for unitary and nonunitary evolutions, based on an elegant information geometric formalism. Our work unifies and generalizes existing results on quantum speed limits and provides instances of novel bounds that are tighter than any established one based on the conventional quantum Fisher information. We illustrate our findings with relevant examples, demonstrating the importance of choosing different information metrics for open system dynamics, as well as clarifying the roles of classical populations versus quantum coherences, in the determination and saturation of the speed limits. Our results can find applications in the optimization and control of quantum technologies such as quantum computation and metrology, and might provide new insights in fundamental investigations of quantum thermodynamics.
Thermodynamics: The Unique Universal Science
Directory of Open Access Journals (Sweden)
Wassim M. Haddad
2017-11-01
Full Text Available Thermodynamics is a physical branch of science that governs the thermal behavior of dynamical systems from those as simple as refrigerators to those as complex as our expanding universe. The laws of thermodynamics involving conservation of energy and nonconservation of entropy are, without a doubt, two of the most useful and general laws in all sciences. The first law of thermodynamics, according to which energy cannot be created or destroyed, merely transformed from one form to another, and the second law of thermodynamics, according to which the usable energy in an adiabatically isolated dynamical system is always diminishing in spite of the fact that energy is conserved, have had an impact far beyond science and engineering. In this paper, we trace the history of thermodynamics from its classical to its postmodern forms, and present a tutorial and didactic exposition of thermodynamics as it pertains to some of the deepest secrets of the universe.
Thermodynamics of adaptive molecular resolution.
Delgado-Buscalioni, R
2016-11-13
A relatively general thermodynamic formalism for adaptive molecular resolution (AMR) is presented. The description is based on the approximation of local thermodynamic equilibrium and considers the alchemic parameter λ as the conjugate variable of the potential energy difference between the atomistic and coarse-grained model Φ=U (1) -U (0) The thermodynamic formalism recovers the relations obtained from statistical mechanics of H-AdResS (Español et al, J. Chem. Phys. 142, 064115, 2015 (doi:10.1063/1.4907006)) and provides relations between the free energy compensation and thermodynamic potentials. Inspired by this thermodynamic analogy, several generalizations of AMR are proposed, such as the exploration of new Maxwell relations and how to treat λ and Φ as 'real' thermodynamic variablesThis article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Author(s).
RNA Thermodynamic Structural Entropy.
Garcia-Martin, Juan Antonio; Clote, Peter
2015-01-01
Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe the first two accurate and efficient algorithms to compute the conformational entropy for RNA secondary structures, with respect to the Turner energy model, where free energy parameters are determined from UV absorption experiments. An algorithm to compute the derivational entropy for RNA secondary structures had previously been introduced, using stochastic context free grammars (SCFGs). However, the numerical value of derivational entropy depends heavily on the chosen context free grammar and on the training set used to estimate rule probabilities. Using data from the Rfam database, we determine that both of our thermodynamic methods, which agree in numerical value, are substantially faster than the SCFG method. Thermodynamic structural entropy is much smaller than derivational entropy, and the correlation between length-normalized thermodynamic entropy and derivational entropy is moderately weak to poor. In applications, we plot the structural entropy as a function of temperature for known thermoswitches, such as the repression of heat shock gene expression (ROSE) element, we determine that the correlation between hammerhead ribozyme cleavage activity and total free energy is improved by including an additional free energy term arising from conformational entropy, and we plot the structural entropy of windows of the HIV-1 genome. Our software RNAentropy can compute structural entropy for any user-specified temperature, and supports both the Turner'99 and Turner'04 energy parameters. It follows that RNAentropy is state-of-the-art software to compute RNA secondary structure conformational entropy. Source code is available at https://github.com/clotelab/RNAentropy/; a full web server is available at http
RNA Thermodynamic Structural Entropy.
Directory of Open Access Journals (Sweden)
Juan Antonio Garcia-Martin
Full Text Available Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe the first two accurate and efficient algorithms to compute the conformational entropy for RNA secondary structures, with respect to the Turner energy model, where free energy parameters are determined from UV absorption experiments. An algorithm to compute the derivational entropy for RNA secondary structures had previously been introduced, using stochastic context free grammars (SCFGs. However, the numerical value of derivational entropy depends heavily on the chosen context free grammar and on the training set used to estimate rule probabilities. Using data from the Rfam database, we determine that both of our thermodynamic methods, which agree in numerical value, are substantially faster than the SCFG method. Thermodynamic structural entropy is much smaller than derivational entropy, and the correlation between length-normalized thermodynamic entropy and derivational entropy is moderately weak to poor. In applications, we plot the structural entropy as a function of temperature for known thermoswitches, such as the repression of heat shock gene expression (ROSE element, we determine that the correlation between hammerhead ribozyme cleavage activity and total free energy is improved by including an additional free energy term arising from conformational entropy, and we plot the structural entropy of windows of the HIV-1 genome. Our software RNAentropy can compute structural entropy for any user-specified temperature, and supports both the Turner'99 and Turner'04 energy parameters. It follows that RNAentropy is state-of-the-art software to compute RNA secondary structure conformational entropy. Source code is available at https://github.com/clotelab/RNAentropy/; a full web server is available at http
Thermodynamics of phase transitions
International Nuclear Information System (INIS)
Cofta, H.
1972-01-01
The phenomenology of the phase transitions has been considered. The definitions of thermodynamic functions and parameters, as well as those of the phase transitions, are given and some of the relations between those quantities are discussed. The phase transitions classification proposed by Ehrenfest has been described. The most important features of phase transitions are discussed using the selected physical examples including the critical behaviour of ferromagnetic materials at the Curie temperature and antiferromagnetic materials at the Neel temperature. Some aspects of the Ehrenfest's equations, that have been derived, for the interfacial lines and surfaces are considered as well as the role the notion of interfaces. (S.B.)
Energy Technology Data Exchange (ETDEWEB)
Biswas, S. N.
1980-07-01
The application of quantum statistical mechanics to a system of particles consisting of quarks is considered. Realistic theoretical investigations have been underway to understand highly dense objects such as white dwarfs and neutron stars. The various possibilities in the case of very high densities such as 10/sup 15/ or 10/sup 16/ g/cm/sup 3/ are enumerated. The thermodynamics of a phase transition from neutron matter phase to quark matter phase is analysed. Preliminary results based on quantum chromodynamics and other phenomenological models are reported.
Kirkland, Kyle
2007-01-01
Temperature is vital to the health and welfare of all living beings, and Earth's temperature varies considerably from place to place. Early humans could only live in warm areas such as the tropics. Although modern humans have the technology to keep their houses and offices warm even in cold environments, the growth and development of civilization has created unintentional effects. Cities are warmer than their surrounding regions, and on a global scale, Earth is experiencing rising temperatures. Thus, the science of thermodynamics offers an important tool to study these effects. "Time and
Navrotsky, Alexandra
Thermodynamics of Crystals is a gold mine of a references bargain with more derivations of useful equations per dollar, or per page, than almost any other book I know. Useful to whom? To the solid state physicist, the solid state chemist working the geophysicist, the rock mechanic, the mineral physicist. Useful for what? For lattice dynamics, crystal potentials, band structure. For elegant, rigorous, and concise derivations of fundamental equations. For comparison of levels of approximation. For some data and physical insights, especially for metals and simple halides. This book is a reissue, with some changes and additions, of a 1970 treatise. It ages well, since the fundamentals do not change.
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.
Thermodynamic inconsistency of the modified Saha equation at high pressures
International Nuclear Information System (INIS)
Sweeney, M.A.
1978-01-01
The inclusion of a pressure ionization term in the Saha equation violates the thermodynamic Maxwell identities if corresponding changes are not made to the expressions for entropy and pressure. It is demonstrated that the usual application of the Rouse and Stewart-Pyatt modesl suffers from this limitation. Negative values of the adiabatic gradient in the degenerate dwarf models of Boehm and Straka are explained in terms of this thermodynamic inconsistency
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...
On thermodynamic and microscopic reversibility
International Nuclear Information System (INIS)
Crooks, Gavin E
2011-01-01
The word 'reversible' has two (apparently) distinct applications in statistical thermodynamics. A thermodynamically reversible process indicates an experimental protocol for which the entropy change is zero, whereas the principle of microscopic reversibility asserts that the probability of any trajectory of a system through phase space equals that of the time reversed trajectory. However, these two terms are actually synonymous: a thermodynamically reversible process is microscopically reversible, and vice versa
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
Experimental approaches to membrane thermodynamics
DEFF Research Database (Denmark)
Westh, Peter
2009-01-01
Thermodynamics describes a system on the macroscopic scale, yet it is becoming an important tool for the elucidation of many specific molecular aspects of membrane properties. In this note we discuss this application of thermodynamics, and give a number of examples on how thermodynamic measurements...... have contributed to the understanding of specific membrane phenomena. We mainly focus on non-specific interactions of bilayers and small molecules (water and solutes) in the surrounding solvent, and the changes in membrane properties they bring about. Differences between thermodynamic...
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
Thermodynamics of Accelerating Black Holes.
Appels, Michael; Gregory, Ruth; Kubizňák, David
2016-09-23
We address a long-standing problem of describing the thermodynamics of an accelerating black hole. We derive a standard first law of black hole thermodynamics, with the usual identification of entropy proportional to the area of the event horizon-even though the event horizon contains a conical singularity. This result not only extends the applicability of black hole thermodynamics to realms previously not anticipated, it also opens a possibility for studying novel properties of an important class of exact radiative solutions of Einstein equations describing accelerated objects. We discuss the thermodynamic volume, stability, and phase structure of these black holes.
Thermodynamics of geothermal fluids
Energy Technology Data Exchange (ETDEWEB)
Rogers, P.S.Z.
1981-03-01
A model to predict the thermodynamic properties of geothermal brines, based on a minimum amount of experimental data on a few key systems, is tested. Volumetric properties of aqueous sodium chloride, taken from the literature, are represented by a parametric equation over the range 0 to 300{sup 0}C and 1 bar to 1 kbar. Density measurements at 20 bar needed to complete the volumetric description also are presented. The pressure dependence of activity and thermal properties, derived from the volumetric equation, can be used to complete an equation of state for sodium chloride solutions. A flow calorimeter, used to obtain heat capacity data at high temperatures and pressures, is described. Heat capacity measurements, from 30 to 200{sup 0}C and 1 bar to 200 bar, are used to derive values for the activity coefficient and other thermodynamic properties of sodium sulfate solutions as a function of temperature. Literature data on the solubility of gypsum in mixed electrolyte solutions have been used to evaluate model parameters for calculating gypsum solubility in seawater and natural brines. Predictions of strontium and barium sulfate solubility in seawater also are given.
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
De Lorenzo, Tommaso; Perez, Alejandro
2018-02-01
We show that null surfaces defined by the outgoing and infalling wave fronts emanating from and arriving at a sphere in Minkowski spacetime have thermodynamical properties that are in strict formal correspondence with those of black hole horizons in curved spacetimes. Such null surfaces, made of pieces of light cones, are bifurcate conformal Killing horizons for suitable conformally stationary observers. They can be extremal and nonextremal depending on the radius of the shining sphere. Such conformal Killing horizons have a constant light cone (conformal) temperature, given by the standard expression in terms of the generalization of surface gravity for conformal Killing horizons. Exchanges of conformally invariant energy across the horizon are described by a first law where entropy changes are given by 1 /(4 ℓp2) of the changes of a geometric quantity with the meaning of horizon area in a suitable conformal frame. These conformal horizons satisfy the zeroth to the third laws of thermodynamics in an appropriate way. In the extremal case they become light cones associated with a single event; these have vanishing temperature as well as vanishing entropy.
Energy Technology Data Exchange (ETDEWEB)
Singh, Rakesh S.; Debenedetti, Pablo G. [Department of Chemical & Biological Engineering, Princeton University, Princeton, New Jersey 08544 (United States); Biddle, John W.; Anisimov, Mikhail A., E-mail: anisimov@umd.edu [Institute of Physical Science and Technology and Department of Chemical and Biomolecular Engineering, University of Maryland, College Park, Maryland 20742 (United States)
2016-04-14
Water shows intriguing thermodynamic and dynamic anomalies in the supercooled liquid state. One possible explanation of the origin of these anomalies lies in the existence of a metastable liquid-liquid phase transition (LLPT) between two (high and low density) forms of water. While the anomalies are observed in experiments on bulk and confined water and by computer simulation studies of different water-like models, the existence of a LLPT in water is still debated. Unambiguous experimental proof of the existence of a LLPT in bulk supercooled water is hampered by fast ice nucleation which is a precursor of the hypothesized LLPT. Moreover, the hypothesized LLPT, being metastable, in principle cannot exist in the thermodynamic limit (infinite size, infinite time). Therefore, computer simulations of water models are crucial for exploring the possibility of the metastable LLPT and the nature of the anomalies. In this work, we present new simulation results in the NVT ensemble for one of the most accurate classical molecular models of water, TIP4P/2005. To describe the computed properties and explore the possibility of a LLPT, we have applied two-structure thermodynamics, viewing water as a non-ideal mixture of two interconvertible local structures (“states”). The results suggest the presence of a liquid-liquid critical point and are consistent with the existence of a LLPT in this model for the simulated length and time scales. We have compared the behavior of TIP4P/2005 with other popular water-like models, namely, mW and ST2, and with real water, all of which are well described by two-state thermodynamics. In view of the current debate involving different studies of TIP4P/2005, we discuss consequences of metastability and finite size in observing the liquid-liquid separation. We also address the relationship between the phenomenological order parameter of two-structure thermodynamics and the microscopic nature of the low-density structure.
International Nuclear Information System (INIS)
Singh, Rakesh S.; Debenedetti, Pablo G.; Biddle, John W.; Anisimov, Mikhail A.
2016-01-01
Water shows intriguing thermodynamic and dynamic anomalies in the supercooled liquid state. One possible explanation of the origin of these anomalies lies in the existence of a metastable liquid-liquid phase transition (LLPT) between two (high and low density) forms of water. While the anomalies are observed in experiments on bulk and confined water and by computer simulation studies of different water-like models, the existence of a LLPT in water is still debated. Unambiguous experimental proof of the existence of a LLPT in bulk supercooled water is hampered by fast ice nucleation which is a precursor of the hypothesized LLPT. Moreover, the hypothesized LLPT, being metastable, in principle cannot exist in the thermodynamic limit (infinite size, infinite time). Therefore, computer simulations of water models are crucial for exploring the possibility of the metastable LLPT and the nature of the anomalies. In this work, we present new simulation results in the NVT ensemble for one of the most accurate classical molecular models of water, TIP4P/2005. To describe the computed properties and explore the possibility of a LLPT, we have applied two-structure thermodynamics, viewing water as a non-ideal mixture of two interconvertible local structures (“states”). The results suggest the presence of a liquid-liquid critical point and are consistent with the existence of a LLPT in this model for the simulated length and time scales. We have compared the behavior of TIP4P/2005 with other popular water-like models, namely, mW and ST2, and with real water, all of which are well described by two-state thermodynamics. In view of the current debate involving different studies of TIP4P/2005, we discuss consequences of metastability and finite size in observing the liquid-liquid separation. We also address the relationship between the phenomenological order parameter of two-structure thermodynamics and the microscopic nature of the low-density structure.
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
Thermodynamic Properties and Thermodynamic Geometries of Black p-Branes
International Nuclear Information System (INIS)
Yi-Huan Wei; Xiao Cui; Jia-Xin Zhao
2016-01-01
The heat capacity and the electric capacitance of the black p-branes (BPB) are generally defined, then they are calculated for some special processes. It is found that the Ruppeiner thermodynamic geometry of BPB is flat. Finally, we give some discussions for the flatness of the Ruppeiner thermodynamic geometry of BPB and some black holes. (paper)
On black hole thermodynamics with a momentum relaxation
International Nuclear Information System (INIS)
Park, Chanyong
2016-01-01
We investigate black hole thermodynamics involving a scalar hair which is dual to a momentum relaxation of the dual field theory. This black hole geometry is able to be classified by two parameters. One is a momentum relaxation and the other is a mass density of another matter localized at the center. Even though all parameters are continuous, there exists a specific point where its thermodynamic interpretation is not continuously connected to the one defined in the other parameter regime. The similar feature also appears in a topological AdS black hole. In this work, we show why such an unusual thermodynamic feature happens and provide a unified way to understand such an exotic black hole thermodynamically in the entire parameter range. (paper)
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.
DISTRIBUTION OF PARASTATISTICS FUNCTIONS: AN OVERVIEW OF THERMODYNAMICS PROPERTIES
Directory of Open Access Journals (Sweden)
R. Yosi Aprian Sari
2016-05-01
Full Text Available This study aims to determine the thermodynamic properties of the parastatistics system of order two. The thermodynamic properties to be searched include the Grand Canonical Partition Function (GCPF Z, and the average number of particles N. These parastatistics systems is in a more general form compared to quantum statistical distribution that has been known previously, i.e.: the Fermi-Dirac (FD and Bose-Einstein (BE. Starting from the recursion relation of grand canonical partition function for parastatistics system of order two that has been known, recuresion linkages for some simple thermodynamic functions for parastatistics system of order two are derived. The recursion linkages are then used to calculate the thermodynamic functions of the model system of identical particles with limited energy levels which is similar to the harmonic oscillator. From these results we concluded that from the Grand Canonical Partition Function (GCPF, Z, the thermodynamics properties of parastatistics system of order two (paraboson and parafermion can be derived and have similar shape with parastatistics system of order one (Boson and Fermion. The similarity of the graph shows similar thermodynamic properties. Keywords: parastatistics, thermodynamic properties
Thermodynamics of Inozemtsev's elliptic spin chain
Energy Technology Data Exchange (ETDEWEB)
Klabbers, Rob, E-mail: rob.klabbers@desy.de
2016-06-15
We study the thermodynamic behaviour of Inozemtsev's long-range elliptic spin chain using the Bethe ansatz equations describing the spectrum of the model in the infinite-length limit. We classify all solutions of these equations in that limit and argue which of these solutions determine the spectrum in the thermodynamic limit. Interestingly, some of the solutions are not selfconjugate, which puts the model in sharp contrast to one of the model's limiting cases, the Heisenberg XXX spin chain. Invoking the string hypothesis we derive the thermodynamic Bethe ansatz equations (TBA-equations) from which we determine the Helmholtz free energy in thermodynamic equilibrium and derive the associated Y-system. We corroborate our results by comparing numerical solutions of the TBA-equations to a direct computation of the free energy for the finite-length hamiltonian. In addition we confirm numerically the interesting conjecture put forward by Finkel and González-López that the original and supersymmetric versions of Inozemtsev's elliptic spin chain are equivalent in the thermodynamic limit.
International Nuclear Information System (INIS)
Stacey, Frank D
2010-01-01
Applications of elementary thermodynamic principles to the dynamics of the Earth lead to robust, quantitative conclusions about the tectonic effects that arise from convection. The grand pattern of motion conveys deep heat to the surface, generating mechanical energy with a thermodynamic efficiency corresponding to that of a Carnot engine operating over the adiabatic temperature gradient between the heat source and sink. Referred to the total heat flux derived from the Earth's silicate mantle, the efficiency is 24% and the power generated, 7.7 x 10 12 W, causes all the material deformation apparent as plate tectonics and the consequent geological processes. About 3.5% of this is released in seismic zones but little more than 0.2% as seismic waves. Even major earthquakes are only localized hiccups in this motion. Complications that arise from mineral phase transitions can be used to illuminate details of the motion. There are two superimposed patterns of convection, plate subduction and deep mantle plumes, driven by sources of buoyancy, negative and positive respectively, at the top and bottom of the mantle. The patterns of motion are controlled by the viscosity contrasts (>10 4 : 1) at these boundaries and are self-selected as the least dissipative mechanisms of heat transfer for convection in a body with very strong viscosity variation. Both are subjects of the thermodynamic efficiency argument. Convection also drives the motion in the fluid outer core that generates the geomagnetic field, although in that case there is an important energy contribution by compositional separation, as light solute is rejected by the solidifying inner core and mixed into the outer core, a process referred to as compositional convection. Uncertainty persists over the core energy balance because thermal conduction is a drain on core energy that has been a subject of diverse estimates, with attendant debate over the need for radiogenic heat in the core. The geophysical approach to
Fundamental functions in equilibrium thermodynamics
Horst, H.J. ter
In the standard presentations of the principles of Gibbsian equilibrium thermodynamics one can find several gaps in the logic. For a subject that is as widely used as equilibrium thermodynamics, it is of interest to clear up such questions of mathematical rigor. In this paper it is shown that using
Thermodynamics of negative absolute pressures
International Nuclear Information System (INIS)
Lukacs, B.; Martinas, K.
1984-03-01
The authors show that the possibility of negative absolute pressure can be incorporated into the axiomatic thermodynamics, analogously to the negative absolute temperature. There are examples for such systems (GUT, QCD) processing negative absolute pressure in such domains where it can be expected from thermodynamical considerations. (author)
Thermodynamic study of selected monoterpenes
Czech Academy of Sciences Publication Activity Database
Štejfa, V.; Fulem, Michal; Růžička, K.; Červinka, C.; Rocha, M.A.A.; Santos, L.M.N.B.F.; Schröder, B.
2013-01-01
Roč. 60, MAY (2013), 117-125 ISSN 0021-9614 Institutional support: RVO:68378271 Keywords : monoterpenes * pinene * vapor pressure * heat capacity * vaporization and sublimation enthalpy * ideal - gas thermodynamic Subject RIV: BJ - Thermodynamics Impact factor: 2.423, year: 2013
Thermodynamic optimization of power plants
Haseli, Y.
2011-01-01
Thermodynamic Optimization of Power Plants aims to establish and illustrate comparative multi-criteria optimization of various models and configurations of power plants. It intends to show what optimization objectives one may define on the basis of the thermodynamic laws, and how they can be applied
Ch. 33 Modeling: Computational Thermodynamics
International Nuclear Information System (INIS)
Besmann, Theodore M.
2012-01-01
This chapter considers methods and techniques for computational modeling for nuclear materials with a focus on fuels. The basic concepts for chemical thermodynamics are described and various current models for complex crystalline and liquid phases are illustrated. Also included are descriptions of available databases for use in chemical thermodynamic studies and commercial codes for performing complex equilibrium calculations.
Thermodynamics of urban population flows.
Hernando, A; Plastino, A
2012-12-01
Orderliness, reflected via mathematical laws, is encountered in different frameworks involving social groups. Here we show that a thermodynamics can be constructed that macroscopically describes urban population flows. Microscopic dynamic equations and simulations with random walkers underlie the macroscopic approach. Our results might be regarded, via suitable analogies, as a step towards building an explicit social thermodynamics.
Thermodynamics from Car to Kitchen
Auty, Geoff
2014-01-01
The historical background to the laws of thermodynamics is explained using examples we can all observe in the world around us, focusing on motorised transport, refrigeration and solar heating. This is not to be considered as an academic article. The purpose is to improve understanding of thermodynamics rather than impart new knowledge, and for…
Directory of Open Access Journals (Sweden)
Sheriff Faheem G
2012-07-01
Full Text Available Abstract Background Pituitary disorders following pregnancy are an important yet under reported clinical entity in the developing world. Conversely, post partum panhypopituitarism has a more devastating impact on women in such settings due to high fertility rates, poor obstetric care and scarcity of diagnostic and therapeutic resources available. Case presentation A 37 year old African female presented ten years post partum with features of multiple endocrine deficiencies including hypothyroidism, hypoadrenalism, lactation failure and secondary amenorrhea. In addition she had clinical features of an underlying autoimmune condition. These included a history of post-partum thyroiditis, alopecia areata, livedo reticularis and deranged coagulation indices. A remarkable clinical response followed appropriate hormone replacement therapy including steroids. This constellation has never been reported before; we therefore present an interesting clinical discussion including a brief review of existing literature. Conclusion Post partum pituitary insufficiency is an under-reported condition of immense clinical importance especially in the developing world. A high clinical index of suspicion is vital to ensure an early and correct diagnosis which will have a direct bearing on management and patient outcome.
Applied thermodynamics: A new frontier for biotechnology
DEFF Research Database (Denmark)
Mollerup, Jørgen
2006-01-01
The scientific career of one of the most outstanding scientists in molecular thermodynamics, Professor John M. Prausnitz at Berkeley, reflects the change in the agenda of molecular thermodynamics, from hydrocarbon chemistry to biotechnology. To make thermodynamics a frontier for biotechnology...
Thermodynamics in Loop Quantum Cosmology
International Nuclear Information System (INIS)
Li, L.F.; Zhu, J.Y.
2009-01-01
Loop quantum cosmology (LQC) is very powerful to deal with the behavior of early universe. Moreover, the effective loop quantum cosmology gives a successful description of the universe in the semiclassical region. We consider the apparent horizon of the Friedmann-Robertson-Walker universe as a thermodynamical system and investigate the thermodynamics of LQC in the semiclassical region. The effective density and effective pressure in the modified Friedmann equation from LQC not only determine the evolution of the universe in LQC scenario but also are actually found to be the thermodynamic quantities. This result comes from the energy definition in cosmology (the Misner-Sharp gravitational energy) and is consistent with thermodynamic laws. We prove that within the framework of loop quantum cosmology, the elementary equation of equilibrium thermodynamics is still valid.
Thermodynamic properties of cryogenic fluids
Leachman, Jacob; Lemmon, Eric; Penoncello, Steven
2017-01-01
This update to a classic reference text provides practising engineers and scientists with accurate thermophysical property data for cryogenic fluids. The equations for fifteen important cryogenic fluids are presented in a basic format, accompanied by pressure-enthalpy and temperature-entropy charts and tables of thermodynamic properties. It begins with a chapter introducing the thermodynamic relations and functional forms for equations of state, and goes on to describe the requirements for thermodynamic property formulations, needed for the complete definition of the thermodynamic properties of a fluid. The core of the book comprises extensive data tables and charts for the most commonly-encountered cryogenic fluids. This new edition sees significant updates to the data presented for air, argon, carbon monoxide, deuterium, ethane, helium, hydrogen, krypton, nitrogen and xenon. The book supports and complements NIST’s REFPROP - an interactive database and tool for the calculation of thermodynamic propertie...
Thermodynamic Upper Bound on Broadband Light Coupling with Photonic Structures
Yu, Zongfu; Raman, Aaswath; Fan, Shanhui
2012-01-01
to an upper bound dictated by the second law of thermodynamics. Such bound limits how efficient light can be coupled to any photonic structure. As one example of application, we use this upper bound to derive the limit of light absorption in broadband solar
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.
Thermodynamics and energy conversion
Struchtrup, Henning
2014-01-01
This textbook gives a thorough treatment of engineering thermodynamics with applications to classical and modern energy conversion devices. Some emphasis lies on the description of irreversible processes, such as friction, heat transfer and mixing, and the evaluation of the related work losses. Better use of resources requires high efficiencies, therefore the reduction of irreversible losses should be seen as one of the main goals of a thermal engineer. This book provides the necessary tools. Topics include: car and aircraft engines, including Otto, Diesel and Atkinson cycles, by-pass turbofan engines, ramjet and scramjet; steam and gas power plants, including advanced regenerative systems, solar tower, and compressed air energy storage; mixing and separation, including reverse osmosis, osmotic powerplants, and carbon sequestration; phase equilibrium and chemical equilibrium, distillation, chemical reactors, combustion processes, and fuel cells; the microscopic definition of entropy. The book i...
Computation of thermodynamic equilibria of nuclear materials in multi-physics codes
International Nuclear Information System (INIS)
Piro, M.H.; Lewis, B.J.; Thompson, W.T.; Simunovic, S.; Besmann, T.M.
2011-01-01
A new equilibrium thermodynamic solver is being developed with the primary impetus of direct integration into nuclear fuel performance and safety codes to provide improved predictions of fuel behavior. This solver is intended to provide boundary conditions and material properties for continuum transport calculations. There are several legitimate concerns with the use of existing commercial thermodynamic codes: 1) licensing entanglements associated with code distribution, 2) computational performance, and 3) limited capabilities of handling large multi-component systems of interest to the nuclear industry. The development of this solver is specifically aimed at addressing these concerns. In support of this goal, a new numerical algorithm for computing chemical equilibria is presented which is not based on the traditional steepest descent method or 'Gibbs energy minimization' technique. This new approach exploits fundamental principles of equilibrium thermodynamics, which simplifies the optimization equations. The chemical potentials of all species and phases in the system are constrained by the system chemical potentials, and the objective is to minimize the residuals of the mass balance equations. Several numerical advantages are achieved through this simplification, as described in this paper. (author)
A low pressure thermodynamic cycle for electric power generation without mechanical compressor
International Nuclear Information System (INIS)
Proto, G.; Lenti, R.
1996-01-01
According to the 2 nd thermodynamic law there is no compulsion to have an expansion from high pressure level to atmospheric pressure, the only reason relying upon the minimization of the plant volumetry which is just one of the overall cost parameters. A thermodynamic cycle without rotating machinery does exist in avionic applications like the RAMJET, in which air flowing at supersonic speed is compressed in a convergent duct before being heated in the combustion chamber and then expanded to a much higher MACH number. The concept discussed here, however, is referred to a physical principle of different nature. In fact the inlet air flow is quasi static, while the propelling kinetic energy is the residual energy following the gas combustion, expansion, cooling in Supersonic Flow and ultimately its fluidic compression in a convergent duct. The concept theoretically relies upon the so called 'Simple T 0 change' transformation, according to which, in a Supersonic Flow at constant cross section and without mechanical dissipation, a decrease in the gas stagnation temperature (T 0 ) will turn into an increase of its stagnation pressure. The paper discusses the feasibility of such a process, focusing on a specific conceptual application to a subatmospheric pressure, high temperature Brayton cycle getting to the conclusion that, even with the materials technology limitations, there is the potential for significant improvement of the actual thermodynamic cycle efficiency. (author). 6 figs.,1 tab., 2 refs
Discussion on the entransy expressions of the thermodynamic laws and their applications
International Nuclear Information System (INIS)
Cheng, XueTao; Liang, XinGang
2013-01-01
In this paper, the entransy expressions of the three thermodynamic laws are discussed. The entransy expression of the first law is that the entransy of any thermodynamic system is in balance. For the second law, the entransy expression for heat transfer is that the entransy flow will never be transported from a low temperature body to a high temperature body automatically and entransy dissipation always exists. The entransy expression for heat-work conversion is that it is impossible for any device to operate in a cycle that receives heat entransy flow from a single reservoir and results in an equivalent amount of work entransy flow. The two entransy expressions of the second law are proved to be equivalent to each other. For the third law, its entransy expression is that it is impossible to achieve the zero entransy for any body through limited processes. With these expressions, the Clausius inequality is proved, and the concept of entransy loss is defined. The application of entransy loss to heat transfer and heat-work conversion is discussed. - Highlights: • The entransy expressions of the three thermodynamic laws are discussed. • The Clausius inequality is proved with the entransy expressions of the laws. • The concept of entransy loss is defined with the entransy expressions of the laws. • Entransy loss can be used to analyze heat transfer and heat-work conversion
Towards a common thermodynamic database for speciation models
International Nuclear Information System (INIS)
Lee, J. van der; Lomenech, C.
2004-01-01
Bio-geochemical speciation models and reactive transport models are reaching an operational stage, allowing simulation of complex dynamic experiments and description of field observations. For decades, the main focus has been on model performance but at present, the availability and reliability of thermodynamic data is the limiting factor of the models. Thermodynamic models applied to real and complex geochemical systems require much more extended thermodynamic databases with many minerals, colloidal phases, humic and fulvic acids, cementitious phases and (dissolved) organic complexing agents. Here we propose a methodological approach to achieve, ultimately, a common, operational database including the reactions and constants of these phases. Provided they are coherent with the general thermodynamic laws, sorption reactions are included as well. We therefore focus on sorption reactions and parameter values associated with specific sorption models. The case of sorption on goethite has been used to illustrate the way the methodology handles the problem of inconsistency and data quality. (orig.)
Irreversible thermodynamic analysis and application for molecular heat engines
Lucia, Umberto; Açıkkalp, Emin
2017-09-01
Is there a link between the macroscopic approach to irreversibility and microscopic behaviour of the systems? Consumption of free energy keeps the system away from a stable equilibrium. Entropy generation results from the redistribution of energy, momentum, mass and charge. This concept represents the essence of the thermodynamic approach to irreversibility. Irreversibility is the result of the interaction between systems and their environment. The aim of this paper is to determine lost works in a molecular engine and compare results with macro (classical) heat engines. Firstly, irreversible thermodynamics are reviewed for macro and molecular cycles. Secondly, irreversible thermodynamics approaches are applied for a quantum heat engine with -1/2 spin system. Finally, lost works are determined for considered system and results show that macro and molecular heat engines obey same limitations. Moreover, a quantum thermodynamic approach is suggested in order to explain the results previously obtained from an atomic viewpoint.
Development of a thermodynamic data base for selected heavy metals
International Nuclear Information System (INIS)
Hageman, Sven; Scharge, Tina; Willms, Thomas
2015-07-01
The report on the development of a thermodynamic data base for selected heavy metals covers the description of experimental methods, the thermodynamic model for chromate, the thermodynamic model for dichromate, the thermodynamic model for manganese (II), the thermodynamic model for cobalt, the thermodynamic model for nickel, the thermodynamic model for copper (I), the thermodynamic model for copper(II), the thermodynamic model for mercury (0) and mercury (I), the thermodynamic model for mercury (III), the thermodynamic model for arsenate.
ZINC MITIGATION INTERIM REPORT - THERMODYNAMIC STUDY
Energy Technology Data Exchange (ETDEWEB)
Korinko, P.
2010-12-17
An experimental program was initiated in order to develop and validate conditions that will effectively trap Zn vapors that are released during extraction. The proposed work is broken down into three tasks. The first task is to determine the effectiveness of various pore sizes of filter elements. The second task is to determine the effect of filter temperature on zinc vapor deposition. The final task is to determine whether the zinc vapors can be chemically bound. The approach for chemically binding the zinc vapors has two subtasks, the first is a review of literature and thermodynamic calculations and the second is an experimental approach using the best candidates. This report details the results of the thermodynamic calculations to determine feasibility of chemically binding the zinc vapors within the furnace module, specifically the lithium trap (1). A review of phase diagrams, literature, and thermodynamic calculations was conducted to determine if there are suitable materials to capture zinc vapor within the lithium trap of the extraction basket. While numerous elements exist that form compounds with zinc, many of these also form compounds with hydrogen or the water that is present in the TPBARs. This relatively comprehensive review of available data indicates that elemental cobalt and copper and molybdenum trioxide (MoO3) may have the requisite properties to capture zinc and yet not be adversely affected by the extraction gases and should be considered for testing.
Towards Thermodynamics with Generalized Uncertainty Principle
International Nuclear Information System (INIS)
Moussa, Mohamed; Farag Ali, Ahmed
2014-01-01
Various frameworks of quantum gravity predict a modification in the Heisenberg uncertainty principle to a so-called generalized uncertainty principle (GUP). Introducing quantum gravity effect makes a considerable change in the density of states inside the volume of the phase space which changes the statistical and thermodynamical properties of any physical system. In this paper we investigate the modification in thermodynamic properties of ideal gases and photon gas. The partition function is calculated and using it we calculated a considerable growth in the thermodynamical functions for these considered systems. The growth may happen due to an additional repulsive force between constitutes of gases which may be due to the existence of GUP, hence predicting a considerable increase in the entropy of the system. Besides, by applying GUP on an ideal gas in a trapped potential, it is found that GUP assumes a minimum measurable value of thermal wavelength of particles which agrees with discrete nature of the space that has been derived in previous studies from the GUP
Thermodynamic and transport properties of liquid gallium
International Nuclear Information System (INIS)
Park, H.Y.; Jhon, M.S.
1982-01-01
The significant structure theory of liquids has been successfully applied to liquid gallium. In this work, we have assumed that two structures exist simultaneously in liquid gallium. One is considerec as loosely close packed β-Ga-like structure and the other is remainder of solid α-Ga or α-Ga-like structure. This two structural model is introduced to construct the liquid partition function. Using the partition function, the thermodynamic and transport properties are calculated ever a wide temperature range. The calculated results are quite satisfactory when compared with the experimental results. (Author)
Thermodynamics of quantum spacetime histories
Smolin, Lee
2017-11-01
We show that the simplicity constraints, which define the dynamics of spin foam models, imply, and are implied by, the first law of thermodynamics, when the latter is applied to causal diamonds in the quantum spacetime. This result reveals an intimate connection between the holographic nature of gravity, as reflected by the Bekenstein entropy, and the fact that general relativity and other gravitational theories can be understood as constrained topological field theories. To state and derive this correspondence we describe causal diamonds in the causal structure of spin foam histories and generalize arguments given for the near horizon region of black holes by Frodden, Gosh and Perez [Phys. Rev. D 87, 121503 (2013); , 10.1103/PhysRevD.87.121503Phys. Rev. D 89, 084069 (2014); , 10.1103/PhysRevD.89.084069Phys. Rev. Lett. 107, 241301 (2011); , 10.1103/PhysRevLett.107.241301Phys. Rev. Lett.108, 169901(E) (2012)., 10.1103/PhysRevLett.108.169901] and Bianchi [arXiv:1204.5122.]. This allows us to apply a recent argument of Jacobson [Phys. Rev. Lett. 116, 201101 (2016).10.1103/PhysRevLett.116.201101] to show that if a spin foam history has a semiclassical limit described in terms of a smooth metric geometry, that geometry satisfies the Einstein equations. These results suggest also a proposal for a quantum equivalence principle.
Remarks about the thermodynamics of astrophysical systems in mutual interaction and related notions
International Nuclear Information System (INIS)
Velazquez, L
2016-01-01
ensembles in this scenario. To clarify how some of conventional notions and theoretical frameworks could be extended to open astrophysical systems, an exploratory study of a paradigmatic situation is presented: a binary astrophysical system. This analysis is carried out in the framework of the quadrupole approximation, which represents the lowest coupling among internal and collective degrees of freedom. Apparently, collective motions are responsible for a non-linear energy interchange among the astrophysical systems. This mechanism introduces some modifications in stationary and stability conditions for the thermodynamic equilibrium such as a generalization of Thirring’s stability condition for systems with negative heat capacities (1970 Z. Phys. 235 339). Additionally, the stability of collective motions of this binary astrophysical system is also discussed, which is related to the low energy thermodynamic behavior of the model discussed by Votyakov and colleagues (2002 Phys. Rev. Lett. 89 031101). The thermodynamic limit for self-gravitating gas of identical non-relativistic point particles is then derived and compared with other different proposals. The astrophysical counterpart of the Gibbs–Duhem relation is obtained and compared with the recent proposal of Latella and colleagues (2015 Phys. Rev. Lett. 114 230601). Finally, the incidence of non-extensivity during the merger of two identical astrophysical systems is analyzed. Contrary to the situation considered in the Gibbs paradox, the merger is an irreversible process that crucially depends on the existence (or non-existence) of the external gravitational influence of other systems. (paper: quantum statistical physics, condensed matter, integrable systems)
Methane on Mars: Thermodynamic Equilibrium and Photochemical Calculations
Levine, J. S.; Summers, M. E.; Ewell, M.
2010-01-01
The detection of methane (CH4) in the atmosphere of Mars by Mars Express and Earth-based spectroscopy is very surprising, very puzzling, and very intriguing. On Earth, about 90% of atmospheric ozone is produced by living systems. A major question concerning methane on Mars is its origin - biological or geological. Thermodynamic equilibrium calculations indicated that methane cannot be produced by atmospheric chemical/photochemical reactions. Thermodynamic equilibrium calculations for three gases, methane, ammonia (NH3) and nitrous oxide (N2O) in the Earth s atmosphere are summarized in Table 1. The calculations indicate that these three gases should not exist in the Earth s atmosphere. Yet they do, with methane, ammonia and nitrous oxide enhanced 139, 50 and 12 orders of magnitude above their calculated thermodynamic equilibrium concentration due to the impact of life! Thermodynamic equilibrium calculations have been performed for the same three gases in the atmosphere of Mars based on the assumed composition of the Mars atmosphere shown in Table 2. The calculated thermodynamic equilibrium concentrations of the same three gases in the atmosphere of Mars is shown in Table 3. Clearly, based on thermodynamic equilibrium calculations, methane should not be present in the atmosphere of Mars, but it is in concentrations approaching 30 ppbv from three distinct regions on Mars.
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...
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
Practical chemical thermodynamics for geoscientists
Fegley, Bruce, Jr
2012-01-01
Practical Chemical Thermodynamics for Geoscientists covers classical chemical thermodynamics and focuses on applications to practical problems in the geosciences, environmental sciences, and planetary sciences. This book will provide a strong theoretical foundation for students, while also proving beneficial for earth and planetary scientists seeking a review of thermodynamic principles and their application to a specific problem. Strong theoretical foundation and emphasis on applications Numerous worked examples in each chapter Brief historical summaries and biographies of key thermodynamicists-including their fundamental research and discoveries Extensive references to relevant literature.
Thermodynamic analysis of biochemical systems
International Nuclear Information System (INIS)
Yuan, Y.; Fan, L.T.; Shieh, J.H.
1989-01-01
Introduction of the concepts of the availability (or exergy), datum level materials, and the dead state has been regarded as some of the most significant recent developments in classical thermodynamics. Not only the available energy balance but also the material and energy balances of a biological system may be established in reference to the datum level materials in the dead state or environment. In this paper these concepts are illustrated with two examples of fermentation and are shown to be useful in identifying sources of thermodynamic inefficiency, thereby leading naturally to the rational definition of thermodynamic efficiency of a biochemical process
Holographic free energy and thermodynamic geometry
Ghorai, Debabrata; Gangopadhyay, Sunandan
2016-12-01
We obtain the free energy and thermodynamic geometry of holographic superconductors in 2+1 dimensions. The gravitational theory in the bulk dual to this 2+1-dimensional strongly coupled theory lives in the 3+1 dimensions and is that of a charged AdS black hole together with a massive charged scalar field. The matching method is applied to obtain the nature of the fields near the horizon using which the holographic free energy is computed through the gauge/gravity duality. The critical temperature is obtained for a set of values of the matching point of the near horizon and the boundary behaviour of the fields in the probe limit approximation which neglects the back reaction of the matter fields on the background spacetime geometry. The thermodynamic geometry is then computed from the free energy of the boundary theory. From the divergence of the thermodynamic scalar curvature, the critical temperature is obtained once again. We then compare this result for the critical temperature with that obtained from the matching method.
Holographic free energy and thermodynamic geometry
International Nuclear Information System (INIS)
Ghorai, Debabrata; Gangopadhyay, Sunandan
2016-01-01
We obtain the free energy and thermodynamic geometry of holographic superconductors in 2 + 1 dimensions. The gravitational theory in the bulk dual to this 2 + 1-dimensional strongly coupled theory lives in the 3 + 1 dimensions and is that of a charged AdS black hole together with a massive charged scalar field. The matching method is applied to obtain the nature of the fields near the horizon using which the holographic free energy is computed through the gauge/gravity duality. The critical temperature is obtained for a set of values of the matching point of the near horizon and the boundary behaviour of the fields in the probe limit approximation which neglects the back reaction of the matter fields on the background spacetime geometry. The thermodynamic geometry is then computed from the free energy of the boundary theory. From the divergence of the thermodynamic scalar curvature, the critical temperature is obtained once again. We then compare this result for the critical temperature with that obtained from the matching method. (orig.)
Holographic free energy and thermodynamic geometry
Energy Technology Data Exchange (ETDEWEB)
Ghorai, Debabrata [S.N. Bose National Centre for Basic Sciences, Kolkata (India); Gangopadhyay, Sunandan [Indian Institute of Science Education and Research, Kolkata, Nadia (India); West Bengal State University, Department of Physics, Barasat (India); Inter University Centre for Astronomy and Astrophysics, Pune (India)
2016-12-15
We obtain the free energy and thermodynamic geometry of holographic superconductors in 2 + 1 dimensions. The gravitational theory in the bulk dual to this 2 + 1-dimensional strongly coupled theory lives in the 3 + 1 dimensions and is that of a charged AdS black hole together with a massive charged scalar field. The matching method is applied to obtain the nature of the fields near the horizon using which the holographic free energy is computed through the gauge/gravity duality. The critical temperature is obtained for a set of values of the matching point of the near horizon and the boundary behaviour of the fields in the probe limit approximation which neglects the back reaction of the matter fields on the background spacetime geometry. The thermodynamic geometry is then computed from the free energy of the boundary theory. From the divergence of the thermodynamic scalar curvature, the critical temperature is obtained once again. We then compare this result for the critical temperature with that obtained from the matching method. (orig.)
Why preeclampsia still exists?
Chelbi, Sonia T; Veitia, Reiner A; Vaiman, Daniel
2013-08-01
Preeclampsia (PE) is a deadly gestational disease affecting up to 10% of women and specific of the human species. Preeclampsia is clearly multifactorial, but the existence of a genetic basis for this disease is now clearly established by the existence of familial cases, epidemiological studies and known predisposing gene polymorphisms. PE is very common despite the fact that Darwinian pressure should have rapidly eliminated or strongly minimized the frequency of predisposing alleles. Consecutive pregnancies with the same partner decrease the risk and severity of PE. Here, we show that, due to this peculiar feature, preeclampsia predisposing-alleles can be differentially maintained according to the familial structure. Thus, we suggest that an optimal frequency of PE-predisposing alleles in human populations can be achieved as a result of a trade-off between benefits of exogamy, importance for maintaining genetic diversity and increase of the fitness owing to a stable paternal investment. Copyright © 2013 Elsevier Ltd. All rights reserved.
Existence of Projective Planes
Perrott, Xander
2016-01-01
This report gives an overview of the history of finite projective planes and their properties before going on to outline the proof that no projective plane of order 10 exists. The report also investigates the search carried out by MacWilliams, Sloane and Thompson in 1970 [12] and confirms their result by providing independent verification that there is no vector of weight 15 in the code generated by the projective plane of order 10.
Turner, L
2009-12-01
Bioethicists disagree over methods, theories, decision-making guides, case analyses and public policies. Thirty years ago, the thinking of many scholars coalesced around a principlist approach to bioethics. That mid-level mode of moral reasoning is now one of many approaches to moral deliberation. Significant variation in contemporary approaches to the study of ethical issues related to medicine, biotechnology and health care raises the question of whether bioethics exists as widely shared method, theory, normative framework or mode of moral reasoning.
Thermodynamical string fragmentation
Energy Technology Data Exchange (ETDEWEB)
Fischer, Nadine [Theoretical Particle Physics, Department of Astronomy and Theoretical Physics, Lund University,Sölvegatan 14A, Lund, SE-223 62 (Sweden); School of Physics and Astronomy, Monash University,Wellington Road, Clayton, VIC-3800 (Australia); Sjöstrand, Torbjörn [Theoretical Particle Physics, Department of Astronomy and Theoretical Physics, Lund University,Sölvegatan 14A, Lund, SE-223 62 (Sweden)
2017-01-31
The observation of heavy-ion-like behaviour in pp collisions at the LHC suggests that more physics mechanisms are at play than traditionally assumed. The introduction e.g. of quark-gluon plasma or colour rope formation can describe several of the observations, but as of yet there is no established paradigm. In this article we study a few possible modifications to the Pythia event generator, which describes a wealth of data but fails for a number of recent observations. Firstly, we present a new model for generating the transverse momentum of hadrons during the string fragmentation process, inspired by thermodynamics, where heavier hadrons naturally are suppressed in rate but obtain a higher average transverse momentum. Secondly, close-packing of strings is taken into account by making the temperature or string tension environment-dependent. Thirdly, a simple model for hadron rescattering is added. The effect of these modifications is studied, individually and taken together, and compared with data mainly from the LHC. While some improvements can be noted, it turns out to be nontrivial to obtain effects as big as required, and further work is called for.
Shock Thermodynamic Applied Research Facility
Federal Laboratory Consortium — The Shock Thermodynamic Applied Research Facility (STAR) facility, within Sandia’s Solid Dynamic Physics Department, is one of a few institutions in the world with a...
Thermodynamic analysis of PBMR plant
International Nuclear Information System (INIS)
Sen, S.; Kadiroglu, O.K.
2002-01-01
The thermodynamic analysis of a PBMR is presented for various pressures and temperatures values. The design parameters of the components of the power plant are calculated and an optimum cycle for the maximum thermal efficiency is sought for. (author)
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.
First principles thermodynamics of alloys
International Nuclear Information System (INIS)
Ducastelle, F.
1993-01-01
We present a brief report on the methods of solid state physics (electronic structure, statistical thermodynamics) that allow us to discuss the phase stability of alloys and to determine their phase diagrams. (orig.)
Thermodynamic efficiency of learning a rule in neural networks
Goldt, Sebastian; Seifert, Udo
2017-11-01
Biological systems have to build models from their sensory input data that allow them to efficiently process previously unseen inputs. Here, we study a neural network learning a binary classification rule for these inputs from examples provided by a teacher. We analyse the ability of the network to apply the rule to new inputs, that is to generalise from past experience. Using stochastic thermodynamics, we show that the thermodynamic costs of the learning process provide an upper bound on the amount of information that the network is able to learn from its teacher for both batch and online learning. This allows us to introduce a thermodynamic efficiency of learning. We analytically compute the dynamics and the efficiency of a noisy neural network performing online learning in the thermodynamic limit. In particular, we analyse three popular learning algorithms, namely Hebbian, Perceptron and AdaTron learning. Our work extends the methods of stochastic thermodynamics to a new type of learning problem and might form a suitable basis for investigating the thermodynamics of decision-making.
Lagrangian formulation of irreversible thermodynamics and the second law of thermodynamics.
Glavatskiy, K S
2015-05-28
We show that the equations which describe irreversible evolution of a system can be derived from a variational principle. We suggest a Lagrangian, which depends on the properties of the normal and the so-called "mirror-image" system. The Lagrangian is symmetric in time and therefore compatible with microscopic reversibility. The evolution equations in the normal and mirror-imaged systems are decoupled and describe therefore independent irreversible evolution of each of the systems. The second law of thermodynamics follows from a symmetry of the Lagrangian. Entropy increase in the normal system is balanced by the entropy decrease in the mirror-image system, such that there exists an "integral of evolution" which is a constant. The derivation relies on the property of local equilibrium, which states that the local relations between the thermodynamic quantities in non-equilibrium are the same as in equilibrium.
Thermodynamics from concepts to applications
Shavit, Arthur
2008-01-01
The book presents a logical methodology for solving problems in the context of conservation laws and property tables or equations. The authors elucidate the terms around which thermodynamics has historically developed, such as work, heat, temperature, energy, and entropy. Using a pedagogical approach that builds from basic principles to laws and eventually corollaries of the laws, the text enables students to think in clear and correct thermodynamic terms as well as solve real engineering problems.
Generalization of Gibbs Entropy and Thermodynamic Relation
Park, Jun Chul
2010-01-01
In this paper, we extend Gibbs's approach of quasi-equilibrium thermodynamic processes, and calculate the microscopic expression of entropy for general non-equilibrium thermodynamic processes. Also, we analyze the formal structure of thermodynamic relation in non-equilibrium thermodynamic processes.
Thermodynamic consideration on chlorination of uraniferous phosphorite
International Nuclear Information System (INIS)
Itagaki, Kimio; Tozawa, Kazuteru; Taki, Tomihiro; Hirono, Shuichiro.
1989-01-01
The uranium ore of low grade which has apatite as a main mineral, but is different from the phosphorite used as the raw material for phosphoric acid production, exists in large amount in South America and Africa continents, and the importance of its effective utilization as future uranium resources is recognized. The Power Reactor and Nuclear Fuel Development Corp. took up the establishment of the treatment techniques to make this ore into resources as the subject of a project, and proposed the process of volatilizing the uranium in the ore as the chloride and recovering it, and at present, it attempts the experiment on the chlorination treatment. In this paper, the thermodynamic examination on the feasibility of this process, the optimum condition for leaving calcium existing in a large amount in the ore as the phosphate without chlorination and recovering only uranium by chlorination and volatilization, the phase reaction equilibrium chart and the calculation method according to thermodynamics concerning the behavior of chlorination of accompanying elements such as iron, silicon and aluminum and the effect of moisture in the ore are reported. (K.I.)
40 CFR 63.843 - Emission limits for existing sources.
2010-07-01
... paste for plants with batch mixers. The POM emission rate shall be determined by sampling using Method 315 in appendix A to this part. (c) Anode bake furnaces. The owner or operator shall not discharge or...
Americium thermodynamic data for the EQ3/6 database
International Nuclear Information System (INIS)
Kerrisk, J.F.
1984-07-01
Existing thermodynamic data for aqueous and solid species of americium have been reviewed and collected in a form that can be used with the EQ3/6 database. Data that are important in solubility calculations for americium at a proposed Yucca Mountain nuclear waste repository were emphasized. Conflicting data exist for americium complexes with carbonates. Essentially no data are available for americium solids or complexes at temperatures greater than 25 0 C. 17 references, 4 figures
Thermodynamics of firms' growth
Zambrano, Eduardo; Hernando, Alberto; Hernando, Ricardo; Plastino, Angelo
2015-01-01
The distribution of firms' growth and firms' sizes is a topic under intense scrutiny. In this paper, we show that a thermodynamic model based on the maximum entropy principle, with dynamical prior information, can be constructed that adequately describes the dynamics and distribution of firms' growth. Our theoretical framework is tested against a comprehensive database of Spanish firms, which covers, to a very large extent, Spain's economic activity, with a total of 1 155 142 firms evolving along a full decade. We show that the empirical exponent of Pareto's law, a rule often observed in the rank distribution of large-size firms, is explained by the capacity of economic system for creating/destroying firms, and that can be used to measure the health of a capitalist-based economy. Indeed, our model predicts that when the exponent is larger than 1, creation of firms is favoured; when it is smaller than 1, destruction of firms is favoured instead; and when it equals 1 (matching Zipf's law), the system is in a full macroeconomic equilibrium, entailing ‘free’ creation and/or destruction of firms. For medium and smaller firm sizes, the dynamical regime changes, the whole distribution can no longer be fitted to a single simple analytical form and numerical prediction is required. Our model constitutes the basis for a full predictive framework regarding the economic evolution of an ensemble of firms. Such a structure can be potentially used to develop simulations and test hypothetical scenarios, such as economic crisis or the response to specific policy measures. PMID:26510828
Life, hierarchy, and the thermodynamic machinery of planet Earth.
Kleidon, Axel
2010-12-01
substantial amounts of chemical free energy which essentially skips the limitations and inefficiencies associated with the transfer of power within the thermodynamic hierarchy of the planet. This perspective allows us to view life as being the means to transform many aspects of planet Earth to states even further away from thermodynamic equilibrium than is possible by purely abiotic means. In this perspective pockets of low-entropy life emerge from the overall trend of the Earth system to increase the entropy of the universe at the fastest possible rate. The implications of the theory are discussed regarding fundamental deficiencies in Earth system modeling, applications of the theory to reconstructions of Earth system history, and regarding the role of human activity for the future of the planet. Copyright © 2010 Elsevier B.V. All rights reserved.
On the laws of thermodynamics from the escort average and on the uniqueness of statistical factors
International Nuclear Information System (INIS)
Yamano, Takuya
2003-01-01
We consider the relation between the statistical weight and the laws of thermodynamics. Our path bases on the infinitesimal perturbation from outside of the thermodynamical system. It is fair to say that the form of the first laws of thermodynamics and the Clausius' definition of thermodynamic entropy are commensurately altered once we employ the escort average of statistical weight but preserves the forms in the limit of the usual weight. We also see an example for the unique determination of the statistical factor (so-called the Gibbs theorem) in addition to the Boltzmann and the Tsallis ones
Thermodynamics of black-holes in Brans-Dicke gravity
International Nuclear Information System (INIS)
Kim, H.; Kim, Y.
1997-01-01
It is recently been argued that non-trivial Brans-Dicke black-hole solutions different from the usual Schwarzschild solution could exist. The authors attempt here to 'censor' these non-trivial Brans-Dicke black-hole solutions by examining their thermodynamics properties. Quantities like Hawking temperature and entropy of the black holes are computed. The analysis of the behaviors of these thermodynamic quantities appears to show that even in Brans-Dicke gravity, the usual Schwarzschild space-time turns out to be the only physically relevant uncharged black-hole solution
Directory of Open Access Journals (Sweden)
Carlos Alexandre Molina Noccioli
2016-07-01
Full Text Available Este trabalho busca analisar o tratamento linguístico-discursivo das informações acerca de um tópicotemático tradicionalmente visto como tabu, relacionado a questões sexuais, na notícia O ponto G existe?, publicada em 2008, na revista brasileira Superinteressante, destacando-se como o conhecimento em questão é representado socialmente ao se considerar a linha editorial da revista. A notícia caracteriza-se como um campo fértil para a análise das estratégias divulgativas, já que atrai, inclusive pelas escolhas temáticas, a curiosidade dos leitores. Imbuído de um tema excêntrico, o texto consegue angariar um público jovem interessado em discussões polêmicas relacionadas ao seu universo.
Lebesgue Sets Immeasurable Existence
Directory of Open Access Journals (Sweden)
Diana Marginean Petrovai
2012-12-01
Full Text Available It is well known that the notion of measure and integral were released early enough in close connection with practical problems of measuring of geometric ﬁgures. Notion of measure was outlined in the early 20th century through H. Lebesgue’s research, founder of the modern theory of measure and integral. It was developed concurrently a technique of integration of functions. Gradually it was formed a speciﬁc area todaycalled the measure and integral theory. Essential contributions to building this theory was made by a large number of mathematicians: C. Carathodory, J. Radon, O. Nikodym, S. Bochner, J. Pettis, P. Halmos and many others. In the following we present several abstract sets, classes of sets. There exists the sets which are not Lebesgue measurable and the sets which are Lebesgue measurable but are not Borel measurable. Hence B ⊂ L ⊂ P(X.
International Nuclear Information System (INIS)
Passchier, W.
1996-01-01
Risk assessment and risk management are parts of a dynamic process with the objective to decide on the tolerability of risk and on measures to keep risk within accepted limits. It enables all relevant parties to express their concerns and preferences regarding the different options for the human action involved and regarding the relative importance of criteria to decide on the tolerability of risk. Risk assessment has three phases; problem definition, risk analysis and risk characterization. Risk analysis is primarily a technical and scientific endeavour. With regard to problem definition and ride characterization consultation between risk assessors and risk managers (and other parties concerned) is a must. (author)
Luo, Ercang
2012-06-01
This paper analyzes the thermodynamic cycle of oscillating-flow regenerative machines. Unlike the classical analysis of thermodynamic textbooks, the assumptions for pistons' movement limitations are not needed and only ideal flowing and heat transfer should be maintained in our present analysis. Under such simple assumptions, the meso-scale thermodynamic cycles of each gas parcel in typical locations of a regenerator are analyzed. It is observed that the gas parcels in the regenerator undergo Lorentz cycle in different temperature levels, whereas the locus of all gas parcels inside the regenerator is the Ericson-like thermodynamic cycle. Based on this new finding, the author argued that ideal oscillating-flow machines without heat transfer and flowing losses is not the Stirling cycle. However, this new thermodynamic cycle can still achieve the same efficiency of the Carnot heat engine and can be considered a new reversible thermodynamic cycle under two constant-temperature heat sinks.
A thermodynamic counterpart of the Axelrod model of social influence: The one-dimensional case
Gandica, Y.; Medina, E.; Bonalde, I.
2013-12-01
We propose a thermodynamic version of the Axelrod model of social influence. In one-dimensional (1D) lattices, the thermodynamic model becomes a coupled Potts model with a bonding interaction that increases with the site matching traits. We analytically calculate thermodynamic and critical properties for a 1D system and show that an order-disorder phase transition only occurs at T=0 independent of the number of cultural traits q and features F. The 1D thermodynamic Axelrod model belongs to the same universality class of the Ising and Potts models, notwithstanding the increase of the internal dimension of the local degree of freedom and the state-dependent bonding interaction. We suggest a unifying proposal to compare exponents across different discrete 1D models. The comparison with our Hamiltonian description reveals that in the thermodynamic limit the original out-of-equilibrium 1D Axelrod model with noise behaves like an ordinary thermodynamic 1D interacting particle system.
Design of thermodynamic experiments and analyses of thermodynamic relationships
International Nuclear Information System (INIS)
Oezer Arnas, A.
2009-01-01
In teaching of thermodynamics, a certain textbook is followed internationally whatever language it is written in. However, although some do a very good job, most are not correct and precise and furthermore NONE discuss at all the need for and importance of designing thermodynamic experiments although experimentation in engineering is considered to be the back bone of analyses, not pursued much these days, or numerical studies, so very predominant these days. Here some thermodynamic experiments along with physical interpretation of phenomena through simple mathematics will be discussed that are straightforward, meaningful and which can be performed by any undergraduate/graduate student. Another important topic for discussion is the fact that the thermodynamic state principle demands uniqueness of results. It has been found in literature that this fact is not well understood by those who attempt to apply it loosely and end up with questionable results. Thermodynamics is the fundamental science that clarifies all these issues if well understood, applied and interpreted. The attempt of this paper is to clarify these situations and offer alternative methods for analyses. (author)
Experimental investigation and thermodynamic calculation of the Zn–Fe–Ce system
Energy Technology Data Exchange (ETDEWEB)
Lu, Longfei; Wu, Changjun [Jiangsu Key Laboratory of Materials Surface Science and Technology, Changzhou University, Jiangsu 213164 (China); Jiangsu Collaborative Innovation Center of Photovolatic Science and Engineering, Changzhou University, Jiangsu 213164 (China); Wang, Jianhua, E-mail: wangjh@cczu.edu.cn [Jiangsu Key Laboratory of Materials Surface Science and Technology, Changzhou University, Jiangsu 213164 (China); Jiangsu Collaborative Innovation Center of Photovolatic Science and Engineering, Changzhou University, Jiangsu 213164 (China); Liu, Ya; Tu, Hao; Su, Xuping [Jiangsu Key Laboratory of Materials Surface Science and Technology, Changzhou University, Jiangsu 213164 (China); Jiangsu Collaborative Innovation Center of Photovolatic Science and Engineering, Changzhou University, Jiangsu 213164 (China)
2015-11-05
The 450 °C and 600 °C isothermal sections of the Zn–Fe–Ce system were investigated using equilibrated alloys and diffusion couples. The samples were analyzed by Scanning Electron Microscopy equipped with Energy Dispersive X-ray Spectrometer analysis and X-ray power diffraction. 15 and 13 three-phase regions were identified to exist at 450 °C and 600 °C, respectively. No ternary compound was found. Ce can not dissolve into all the Zn–Fe binary compounds and the solubilities of Fe in all the Zn–Ce binary phases were limited. All the Zn–Fe compounds can equilibrate with CeZn{sub 11} and all the Ce–Zn compounds (except CeZn) can equilibrate with α-Fe. Furthermore, thermodynamic extrapolation of the Zn–Fe–Ce system was carried out and showed good agreement well with detected phase relationships. - Highlights: • 450 °C and 600 °C sections of the Zn–Fe–Ce system were constructed. • No ternary compound exists. • Ce can not dissolve into all the Zn–Fe compounds. • All the Fe–Zn compounds can equilibrate with CeZn{sub 11}. • Thermodynamic extrapolation results agree with experimental data.
Nuclear chiral dynamics and thermodynamics
Holt, Jeremy W.; Kaiser, Norbert; Weise, Wolfram
2013-11-01
This presentation reviews an approach to nuclear many-body systems based on the spontaneously broken chiral symmetry of low-energy QCD. In the low-energy limit, for energies and momenta small compared to a characteristic symmetry breaking scale of order 1 GeV, QCD is realized as an effective field theory of Goldstone bosons (pions) coupled to heavy fermionic sources (nucleons). Nuclear forces at long and intermediate distance scales result from a systematic hierarchy of one- and two-pion exchange processes in combination with Pauli blocking effects in the nuclear medium. Short distance dynamics, not resolved at the wavelengths corresponding to typical nuclear Fermi momenta, are introduced as contact interactions between nucleons. Apart from a set of low-energy constants associated with these contact terms, the parameters of this theory are entirely determined by pion properties and low-energy pion-nucleon scattering observables. This framework (in-medium chiral perturbation theory) can provide a realistic description of both isospin-symmetric nuclear matter and neutron matter, with emphasis on the isospin-dependence determined by the underlying chiral NN interaction. The importance of three-body forces is emphasized, and the role of explicit Δ(1232)-isobar degrees of freedom is investigated in detail. Nuclear chiral thermodynamics is developed and a calculation of the nuclear phase diagram is performed. This includes a successful description of the first-order phase transition from a nuclear Fermi liquid to an interacting Fermi gas and the coexistence of these phases below a critical temperature Tc. Density functional methods for finite nuclei based on this approach are also discussed. Effective interactions, their density dependence and connections to Landau Fermi liquid theory are outlined. Finally, the density and temperature dependences of the chiral (quark) condensate are investigated.
Chemical Thermodynamics Vol. 12 - Chemical Thermodynamics of tin
International Nuclear Information System (INIS)
Gamsjaeger, Heinz; GAJDA, Tamas; Sangster, James; Saxena, Surendra K.; Voigt, Wolfgang; Perrone, Jane
2012-01-01
This is the 12th volume of a series of expert reviews of the chemical thermodynamics of key chemical elements in nuclear technology and waste management. This volume is devoted to the inorganic species and compounds of tin. The tables contained in Chapters III and IV list the currently selected thermodynamic values within the NEA TDB Project. The database system developed at the NEA Data Bank, see Section II.6, assures consistency among all the selected and auxiliary data sets. The recommended thermodynamic data are the result of a critical assessment of published information. The values in the auxiliary data set, see Tables IV-1 and IV-2, have been adopted from CODATA key values or have been critically reviewed in this or earlier volumes of the series
German activities towards a thermodynamic reference data base
International Nuclear Information System (INIS)
Herbert, H.J.; Hagemann, S.; Brendler, V.; Marquardt, Ch.; Voigt, W.; Wilhelm, S.
2006-01-01
Leading research centres in the field of radioactive waste disposal in Germany have decided to combine their efforts in order to achieve a common goal, the development of a comprehensive and consistent thermodynamic reference database. All the thermodynamic data needed for the modelling of geochemical near- and far field processes in the geological media for high level waste repositories presently under discussion in Germany (salt, clay, granite) shall be collected and qualified in a single database. The partners participating in the project are a group of experts, who are generating, collecting and evaluating thermodynamic data of all relevant radionuclides and matrix elements according to uniform previously established and internationally accepted criteria. Special attention will be given to complete documentation and traceability of all data entries in the database. Existing data from international databases such as those of NEA, NAGRA, YMP will be integrated. Ion interaction coefficients (SIT, Pitzer) needed for modelling in a high saline environment will be included also. (authors)
Quantum chemical approach to estimating the thermodynamics of metabolic reactions.
Jinich, Adrian; Rappoport, Dmitrij; Dunn, Ian; Sanchez-Lengeling, Benjamin; Olivares-Amaya, Roberto; Noor, Elad; Even, Arren Bar; Aspuru-Guzik, Alán
2014-11-12
Thermodynamics plays an increasingly important role in modeling and engineering metabolism. We present the first nonempirical computational method for estimating standard Gibbs reaction energies of metabolic reactions based on quantum chemistry, which can help fill in the gaps in the existing thermodynamic data. When applied to a test set of reactions from core metabolism, the quantum chemical approach is comparable in accuracy to group contribution methods for isomerization and group transfer reactions and for reactions not including multiply charged anions. The errors in standard Gibbs reaction energy estimates are correlated with the charges of the participating molecules. The quantum chemical approach is amenable to systematic improvements and holds potential for providing thermodynamic data for all of metabolism.
German activities towards a thermodynamic reference data base
Energy Technology Data Exchange (ETDEWEB)
Herbert, H.J.; Hagemann, S. [Gesellschaft fuer Anlagen- und Reaktorsicherheit mbH (GRS), Braunschweig (Germany); Brendler, V. [Forschungszentrum Rossendorf, Institut fur Radiochemie, Dresden (Germany); Marquardt, Ch. [Forschungszentrum Karlsruhe, Institut fur Nukleare Entsorgung, Karlsruhe (Germany); Voigt, W. [Technische Univ. Bergakademie Freiberg, Freiberg (Germany); Wilhelm, S. [Colenco Power Engineering, Baden (Switzerland)
2006-07-01
Leading research centres in the field of radioactive waste disposal in Germany have decided to combine their efforts in order to achieve a common goal, the development of a comprehensive and consistent thermodynamic reference database. All the thermodynamic data needed for the modelling of geochemical near- and far field processes in the geological media for high level waste repositories presently under discussion in Germany (salt, clay, granite) shall be collected and qualified in a single database. The partners participating in the project are a group of experts, who are generating, collecting and evaluating thermodynamic data of all relevant radionuclides and matrix elements according to uniform previously established and internationally accepted criteria. Special attention will be given to complete documentation and traceability of all data entries in the database. Existing data from international databases such as those of NEA, NAGRA, YMP will be integrated. Ion interaction coefficients (SIT, Pitzer) needed for modelling in a high saline environment will be included also. (authors)
Advanced adsorption cooling cum desalination cycle: A thermodynamic framework
Chakraborty, Anutosh
2011-01-01
We have developed a thermodynamic framework to calculate adsorption cooling cum desalination cycle performances as a function of pore widths and pore volumes of highly porous adsorbents, which are formulated from the rigor of thermodynamic property surfaces of adsorbent-adsorbate system and the adsorption interaction potential between them. Employing the proposed formulations, the coefficient of performance (COP) and overall performance ratio (OPR) of adsorption cycle are computed for various pore widths of solid adsorbents. These results are compared with experimental data for verifying the proposed thermodynamic formulations. It is found from the present analysis that the COP and OPR of adsorption cooling cum desalination cycle is influenced by (i) the physical characteristics of adsorbents, (ii) characteristics energy and (iii) the surface-structural heterogeneity factor of adsorbent-water system. The present study confirms that there exists a special type of adsorbents having optimal physical characteristics that allows us to obtain the best performance.
Incomplete nonextensive statistics and the zeroth law of thermodynamics
International Nuclear Information System (INIS)
Huang Zhi-Fu; Ou Cong-Jie; Chen Jin-Can
2013-01-01
On the basis of the entropy of incomplete statistics (IS) and the joint probability factorization condition, two controversial problems existing in IS are investigated: one is what expression of the internal energy is reasonable for a composite system and the other is whether the traditional zeroth law of thermodynamics is suitable for IS. Some new equivalent expressions of the internal energy of a composite system are derived through accurate mathematical calculation. Moreover, a self-consistent calculation is used to expound that the zeroth law of thermodynamics is also suitable for IS, but it cannot be proven theoretically. Finally, it is pointed out that the generalized zeroth law of thermodynamics for incomplete nonextensive statistics is unnecessary and the nonextensive assumptions for the composite internal energy will lead to mathematical contradiction. (general)
Correlating thermodynamic and kinetic parameters with amorphous stability
DEFF Research Database (Denmark)
Graeser, Kirsten A; Patterson, James E; Zeitler, J Axel
2009-01-01
Poor physical stability is one of the single most important factors limiting the widespread use of the amorphous state in pharmaceutics. The purpose of this study is to move away from the case study approach by investigating thermodynamic and kinetic parameters as potential predictors of physical...
Thermodynamic Database for Zirconium Alloys
International Nuclear Information System (INIS)
Jerlerud Perez, Rosa
2003-05-01
For many decades zirconium alloys have been commonly used in the nuclear power industry as fuel cladding material. Besides their good corrosion resistance and acceptable mechanical properties the main reason of using these alloys is the low neutron absorption. Zirconium alloys are exposed to a very severe environment during the nuclear fission process and there is a demand for better design of this material. To meet this requirement a thermodynamic database is developed to support material designers. In this thesis some aspects about the development of a thermodynamic database for zirconium alloys are presented. A thermodynamic database represents an important facility in applying thermodynamic equilibrium calculations for a given material providing: 1) relevant information about the thermodynamic properties of the alloys e.g. enthalpies, activities, heat capacity, and 2) significant information for the manufacturing process e.g. heat treatment temperature. The basic information in the database is first the unary data, i.e. pure elements; those are taken from the compilation of the Scientific Group Thermodata Europe (SGTE) and then the binary and ternary systems. All phases present in those binary and ternary systems are described by means of the Gibbs energy dependence on composition and temperature. Many of those binary systems have been taken from published or unpublished works and others have been assessed in the present work. All the calculations have been made using Thermo C alc software and the representation of the Gibbs energy obtained by applying Calphad technique
The thermodynamic universe exploring the limits of physics
Sidharth, B G
2008-01-01
Particle Physics and High Energy Physics have stagnated since the early 1970s. Now, the underlying principle of reductionism - so sacred to twentieth-century physics - is itself being questioned. This book examines these tumultuous developments that are leading to a paradigm shift and a new horizon for Physics.Presenting the new paradigm in fuzzy spacetime, this book is based on some 100 papers published in peer-reviewed journals including Foundations of Physics, Nuovo Cimento and The International Journal of Modern Physics (A&E), as well as two recently published books, The Chaotic Universe (
ADVANTAGES AND THERMODYNAMIC LIMITATIONS OF THE EXPERIMENTAL SORPTION ISOSTERIC METHOD
Directory of Open Access Journals (Sweden)
FARID B. CORTÉS
2013-01-01
Full Text Available Una revisión de las ventajas y las limitaciones termodinámicas presentes en el método experimental sorción isostérica (SIM muestra que el SIM no garantiza una cantidad adsorbida constante. Las isósteras calculadas que consideran comportamiento de gas ideal muestran que en el SIM la masa de gas en el volumen muerto del sistema al incrementar la presión de equilibrio debido a los materiales desorbidos. El SIM es útil y efectivo para obtener datos termodinámicos de alta precisión para la sorción de gases en materiales micro y nanoporosos a bajas presiones y temperaturas. Por el contrario, cuando la presión y la temperatura son altas la desorción no es despreciable, por lo tanto el SIM no es aplicable. Los errores en los cálculos del calor isostérico usando SIM pueden ser reducidos usando procedimientos experimentales tradicionales como las isobaras e isotermas de adsorción para generar las isósteras a altas presiones y temperaturas. Como alternativa, correcciones por presión y temperatura, o un experimento que, después de cada incremento de temperatura permita a la dosis de gas compensar la masa desorbida, garantizaría una cantidad adsorbida constante y, por consiguiente, un comportamiento isostérico mediante medidas directas.
Quantifying losses and thermodynamics limits in nanophotonic solar cells
Mann, S.A.; Oener, S.Z.; Cavalli, A.; Haverkort, J.E.M.; Bakkers, E.P.A.M.; Garnett, E.C.
2016-01-01
Nanophotonic engineering shows great potential for photovoltaics: the record conversion efficiencies of nanowire solar cells are increasing rapidly1,2 and the record open-circuit voltages are becoming comparable to the records for planar equivalents3,4. Furthermore, it has been suggested that
Thermodynamics and kinetics of vesicles formation processes.
Guida, Vincenzo
2010-12-15
Vesicles are hollow aggregates, composed of bilayers of amphiphilic molecules, dispersed into and filled with a liquid solvent. These aggregates can be formed either as equilibrium or as out of equilibrium meta-stable structures and they exhibit a rich variety of different morphologies. The surprising richness of structures, the vast range of industrial applications and the presence of vesicles in a number of biological systems have attracted the interest of numerous researchers and scientists. In this article, we review both the thermodynamics and the kinetics aspects of the phenomena of formation of vesicles. We start presenting the thermodynamics of bilayer membranes formation and deformation, with the aim of deriving the conditions for the existence of equilibrium vesicles. Specifically, we use the results from continuum thermodynamics to discuss the possibility of formation of stable equilibrium vesicles, from both mixed amphiphiles and single component systems. We also link the bilayer membrane properties to the molecular structure of the starting amphiphiles. In the second part of this article, we focus on the dynamics and kinetics of vesiculation. We review the process of vesicles formation both from planar lamellar phase under shear and from isotropic micelles. In order to clarify the physical mechanisms of vesicles formation, we continuously draw a parallel between emulsification and vesiculation processes. Specifically, we compare the experimental results, the driving forces and the relative scaling laws identified for the two processes. Describing the dynamics of vesicles formation, we also discuss why non equilibrium vesicles can be formed by kinetics control and why they are meta-stable. Understanding how to control the properties, the stability and the formation process of vesicles is of fundamental importance for a vast number of industrial applications. Copyright © 2009. Published by Elsevier B.V.
Thermodynamics and sustainable development
Cornelissen, Rene
1997-01-01
It is the objective of this thesis to demonstrate exergy analysis as a powerful instrument to obtain sustainable development. An important aspect of sustainable development is the minimisation of irreversibilities caused by the use of non-renewables. In order to limit the scope of this thesis
Thermodynamics for Fractal Statistics
da Cruz, Wellington
1998-01-01
We consider for an anyon gas its termodynamics properties taking into account the fractal statistics obtained by us recently. This approach describes the anyonic excitations in terms of equivalence classes labeled by fractal parameter or Hausdorff dimension $h$. An exact equation of state is obtained in the high-temperature and low-temperature limits, for gases with a constant density of states.
The Thermodynamic Machinery of Life
Kurzynski, Michal
2006-01-01
Living organisms are open thermodynamic systems whose functional structure has developed and been kinetically frozen during the historical process of biological evolution. A thermodynamics of both nonequilibrium and complex systems is needed for their description. In this book, the foundations of such a thermodynamics are presented. Biological processes at the cellular level are considered as coupled chemical reactions and transport processes across internal and the cytoplasmic membrane. All these processes are catalyzed by specific enzymes hence the kinetics of enzymatic catalysis and its control are described here in detail. The coupling of several processes through a common enzyme is considered in the context of free energy or signal transduction. Special attention is paid to evidence for a rich stochastic internal dynamics of native proteins and its possible role in the control of enzyme activity and in the action of biological molecular machines.
Complexation thermodynamics of modified cyclodextrins
DEFF Research Database (Denmark)
Schönbeck, Jens Christian Sidney; Westh, Peter; Holm, Rene
2014-01-01
Inclusion complexes between two bile salts and a range of differently methylated β-cyclodextrins were studied in an attempt to rationalize the complexation thermodynamics of modified cyclodextrins. Calorimetric titrations at a range of temperatures provided precise values of the enthalpies (ΔH......°), entropies (ΔS°), and heat capacities (ΔCp) of complexation, while molecular dynamics simulations assisted the interpretation of the obtained thermodynamic parameters. As previously observed for several types of modified cyclodextrins, the substituents at the rims of the cyclodextrin induced large changes......° and then a strong decrease when the degree of substitution exceeded some threshold. Exactly the same trend was observed for ΔCp. The dehydration of nonpolar surface, as quantified by the simulations, can to a large extent explain the variation in the thermodynamic parameters. The methyl substituents form additional...
Thermodynamics a complete undergraduate course
Steane, Andrew M
2016-01-01
This is an undergraduate textbook in thermodynamics—the science of heat, work, temperature, and entropy. The text presents thermodynamics in and of itself, as an elegant and powerful set of ideas and methods. These methods open the way to understanding a very wide range of phenomena in physics, chemistry, engineering, and biology. Starting out from an introduction of concepts at first year undergraduate level, the roles of temperature, internal energy, and entropy are explained via the laws of thermodynamics. The text employs a combination of examples, exercises, and careful discussion, with a view to conveying the feel of the subject as well as avoiding common misunderstandings. The Feynman–Smuluchowski ratchet, Szilard’s engine, and Maxwell’s daemon are used to elucidate entropy and the second law. Free energy and thermodynamic potentials are discussed at length, with applications to solids as well as fluids and flow processes. Thermal radiation is discussed, and the main ideas significant to global...
Nanofluidics thermodynamic and transport properties
Michaelides, Efstathios E (Stathis)
2014-01-01
This volume offers a comprehensive examination of the subject of heat and mass transfer with nanofluids as well as a critical review of the past and recent research projects in this area. Emphasis is placed on the fundamentals of the transport processes using particle-fluid suspensions, such as nanofluids. The nanofluid research is examined and presented in a holistic way using a great deal of our experience with the subjects of continuum mechanics, statistical thermodynamics, and non-equilibrium thermodynamics of transport processes. Using a thorough database, the experimental, analytical, and numerical advances of recent research in nanofluids are critically examined and connected to past research with medium and fine particles as well as to functional engineering systems. Promising applications and technological issues of heat/mass transfer system design with nanofluids are also discussed. This book also: Provides a deep scientific analysis of nanofluids using classical thermodynamics and statistical therm...
Development of Thermodynamic Conceptual Evaluation
Talaeb, P.; Wattanakasiwich, P.
2010-07-01
This research aims to develop a test for assessing student understanding of fundamental principles in thermodynamics. Misconceptions found from previous physics education research were used to develop the test. Its topics include heat and temperature, the zeroth and the first law of thermodynamics, and the thermodynamics processes. The content validity was analyzed by three physics experts. Then the test was administered to freshmen, sophomores and juniors majored in physics in order to determine item difficulties and item discrimination of the test. A few items were eliminated from the test. Finally, the test will be administered to students taking Physics I course in order to evaluate the effectiveness of Interactive Lecture Demonstrations that will be used for the first time at Chiang Mai University.
Thermodynamics of dilute gases: application to submonolayer He films
International Nuclear Information System (INIS)
Vetrovec, M.B.; Carneiro, G.M.
1979-01-01
The thermodynamic properties of submonolayer He films are calculated. Expressions are first obtained for the thermodynamic properties of dilute systems of particles interacting through a short range potential taking into account binary interactions between the particles. These expressions are exact in the limit n→0, n being the particle number density, and are valid at all temperatures. At high temperatures these expressions are reduced to those obtained using the virial expansion truncated after the second term. These expressions are next applied to He in two dimensions and the results compared with experiment and with previous calculations [pt
Thermodynamic stability of warped AdS3 black holes
International Nuclear Information System (INIS)
Birmingham, Danny; Mokhtari, Susan
2011-01-01
We study the thermodynamic stability of warped black holes in three-dimensional topologically massive gravity. The spacelike stretched black hole is parametrized by its mass and angular momentum. We determine the local and global stability properties in the canonical and grand canonical ensembles. The presence of a Hawking-Page type transition is established, and the critical temperature is determined. The thermodynamic metric of Ruppeiner is computed, and the curvature is shown to diverge in the extremal limit. The consequences of these results for the classical stability properties of warped black holes are discussed within the context of the correlated stability conjecture.
Thermodynamics in 'Manifest Reality'
International Nuclear Information System (INIS)
Hankey, Alex
2010-01-01
D'Espagnat's proof that the universe is not a 'strongly objective reality' demands that all physical processes are reconsidered in that light. D'Espagnat suggests a 'Veiled Reality' as a suitable alternative. The most economical way to achieve that is to demand that 'information production' at a quantum level creates the basis for self-consistent perception of a world of macroscopic, 'manifest' entities, as opposed to self-existent objects. Such a 'manifest reality' fulfils both Wheeler's attempt at an 'IT-from-BIT' programme, and Zeilinger's suggestion that 'information is primary'.
Thermodynamics of nuclear power systems
International Nuclear Information System (INIS)
Anno, J.
1983-01-01
The conversion of nuclear energy to useful work follows essentially the same course as the conversion of thermal energy from fossil fuel to work. The thermal energy released in the reactor core is first transferred to the primary coolant which then generally transfers its heat to a secondary fluid. The secondary fluid serves as the working fluid in a heat engine. In this chapter the authors briefly examine the thermodynamic principles governing the operation of such engines, the major thermodynamic cycles used, and their application to nuclear power plants
Thermodynamics of nuclear power systems
International Nuclear Information System (INIS)
Anno, J.
1977-01-01
The conversion of nuclear energy to useful work follows essentially the same course as the conversion of thermal energy from fossil fuel to work. The thermal energy released in the reactor core is first transferred to the primary coolant which then generally transfers its heat to a secondary fluid. The secondary fluid serves as the working fluid in a heat engine. The author briefly examines the thermodynamic principles governing the operation of such engines, the major thermodynamic cycles used, and their application to nuclear power plants. (Auth.)
Thermodynamics of Dipolar Chain Systems
DEFF Research Database (Denmark)
R. Armstrong, J.; Zinner, Nikolaj Thomas; V. Fedorov, D.
2012-01-01
The thermodynamics of a quantum system of layers containing perpendicularly oriented dipolar molecules is studied within an oscillator approximation for both bosonic and fermionic species. The system is assumed to be built from chains with one molecule in each layer. We consider the effects...... numerically. Our findings indicate that thermodynamic observables, such as the heat capacity, can be used to probe the signatures of the intralayer interaction between chains. This should be relevant for near future experiments on polar molecules with strong dipole moments....
Applied Thermodynamics: Grain Boundary Segregation
Directory of Open Access Journals (Sweden)
Pavel Lejček
2014-03-01
Full Text Available Chemical composition of interfaces—free surfaces and grain boundaries—is generally described by the Langmuir–McLean segregation isotherm controlled by Gibbs energy of segregation. Various components of the Gibbs energy of segregation, the standard and the excess ones as well as other thermodynamic state functions—enthalpy, entropy and volume—of interfacial segregation are derived and their physical meaning is elucidated. The importance of the thermodynamic state functions of grain boundary segregation, their dependence on volume solid solubility, mutual solute–solute interaction and pressure effect in ferrous alloys is demonstrated.
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
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
Peaceful nuclear explosions and thermodynamics
International Nuclear Information System (INIS)
Prieto, F.E.
1975-01-01
Some theoretical advances in the thermodynamics of very high pressures are reviewed. A universal (system-independent) formulation of the thermodynamics is sketched, and some of the equations more frequently used are written in system-independent form. Among these equations are: Hugoniot pressure and temperature as functions of volume; the Mie-Gruneisen equation; and an explicit form for the equation of state. It is also shown that this formalism can be used to interpret and predict results from peaceful nuclear explosions. (author)
Thermodynamic properties of chromium bearing slags and minerals. A review
Energy Technology Data Exchange (ETDEWEB)
Xiao Yanping; Holappa, L.
1996-12-31
In this report, the thermodynamic properties of chromium bearing slags and minerals were reviewed based on the available information in the literature. It includes the analysing methods for oxidation state of chromium in slags, oxidation state of chromium and activities of chromium oxides in slags and minerals. The phase diagrams of chromium oxide systems and chromium distributions between slag and metal phases are also covered ill this review. Concerning the analysing methods, it was found that most of the available approaches are limited to iron free slag systems and the sample preparation is very sensitive to the analysing results. In silicate slags under reducing atmosphere, divalent and trivalent chromium co-exist in the slags. It is agreed that the fraction of divalent chromium to total chromium increases with higher temperature, lower slag basicity and oxygen potential. For the slags under oxidising atmosphere, trivalent, pentavalent and hexavalent states were reported to be stable. The activities of CrO and CrO{sub 1.5} were concluded to have positive deviation from ideal solution. Slag basicity has a positive effect and temperature has a negative effect on the activities of chromium oxides. The phase diagrams of the Cr-O, binary, and ternary chromium containing oxide systems have been examined systematically. The analysis shows that the data on the quaternary and quinary systems are insufficient, and require further investigation. The most important features of the chromium containing silicate slags are the large miscibility gaps and the stability of the chromite spinel. (orig.) (76 refs.)
Does cold nuclear fusion exist?
International Nuclear Information System (INIS)
Brudanin, V.B.; Bystritskij, V.M.; Egorov, V.G.; Shamsutdinov, S.G.; Shyshkin, A.L.; Stolupin, V.A.; Yutlandov, I.A.
1989-01-01
The results of investigation of cold nuclear fusion on palladium are given both for electrolysis of heavy water D 2 O and mixture D 2 O + H 2 O) (1:1) and for palladium saturation with gaseous deuterium. The possibility of existance of this phenomenon was examined by detection of neutrons and gamma quanta from reactions: d + d → 3 He + n + 3.27 MeV, p + d → 3 He + γ + 5.5 MeV. Besides these reactions were identified by measuring the characteristic X radiation of palladium due to effect of charged products 3 He, p, t. The upper limits of the intensities of hypothetical sources of neutrons and gamma quanta at the 95% confidence level were obtained to be Q n ≤ 2x10 -2 n/sxcm 3 Pd, Q γ ≤ 2x10 -3 γ/sxcm 3 Pd. 2 refs.; 4 figs.; 2 tabs
Thermodynamics of pellet-cladding interaction
International Nuclear Information System (INIS)
Kyoh, Bunkei; Fuji, Kensho
1987-01-01
Equilibrium thermodynamic calculations are performed on the U-Zr-Cs-I-O system that is assumed to exist in the fuel-cladding gap of light water reactor (LWR) fuel under pellet-cladding interaction (PCI) failure condition. For this purpose a computer program called SOLGASMIX-PV for the calculation of complex multi-component equilibria is used, and the results of postirradiation examination are interpreted. The analysis of the thermodynamics of the system U-Zr-Cs-I-O indicates that cesium and iodine are assumed to be released from fuel pellet into the fuel-cladding gap as CsI, therefore, the Cs/I ratio in fuel-cladding bonding zone is one. The important condensed phases in this region are UO 2 , U 3 O 8 , Cs 2 U 2 O 7 , Cs 2 U 15 O 46 , ZrO 2 and CsI, and the major gaseous species are CsI, I 2 and I. Under this situation where Cs/I ratio is one, cesium-zirconate is not present. If, however, cesium rich phase is partially present then cesium will be associated with zirconium, possibly as Cs 2 ZrO 3 . (author)
Geometry of higher-dimensional black hole thermodynamics
International Nuclear Information System (INIS)
Aaman, Jan E.; Pidokrajt, Narit
2006-01-01
We investigate thermodynamic curvatures of the Kerr and Reissner-Nordstroem (RN) black holes in spacetime dimensions higher than four. These black holes possess thermodynamic geometries similar to those in four-dimensional spacetime. The thermodynamic geometries are the Ruppeiner geometry and the conformally related Weinhold geometry. The Ruppeiner geometry for a d=5 Kerr black hole is curved and divergent in the extremal limit. For a d≥6 Kerr black hole there is no extremality but the Ruppeiner curvature diverges where one suspects that the black hole becomes unstable. The Weinhold geometry of the Kerr black hole in arbitrary dimension is a flat geometry. For the RN black hole the Ruppeiner geometry is flat in all spacetime dimensions, whereas its Weinhold geometry is curved. In d≥5 the Kerr black hole can possess more than one angular momentum. Finally we discuss the Ruppeiner geometry for the Kerr black hole in d=5 with double angular momenta
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.)
Thermodynamic curvature of soft-sphere fluids and solids
Brańka, A. C.; Pieprzyk, S.; Heyes, D. M.
2018-02-01
The influence of the strength of repulsion between particles on the thermodynamic curvature scalar R for the fluid and solid states is investigated for particles interacting with the inverse power (r-n) potential, where r is the pair separation and 1 /n is the softness. Exact results are obtained for R in certain limiting cases, and the R behavior determined for the systems in the fluid and solid phases. It is found that in such systems the thermodynamic curvature can be positive for very soft particles, negative for steeply repulsive (or large n ) particles across almost the entire density range, and can change sign between negative and positive at a certain density. The relationship between R and the form of the interaction potential is more complex than previously suggested, and it may be that R is an indicator of the relative importance of energy and entropy contributions to the thermodynamic properties of the system.
Thermodynamics of Taub-NUT/bolt black holes in Einstein-Maxwell gravity
International Nuclear Information System (INIS)
Dehghani, M.H.; Khodam-Mohammadi, A.
2006-01-01
First, we construct the Taub-NUT/bolt solutions of (2k+2)-dimensional Einstein-Maxwell gravity, when all the factor spaces of 2k-dimensional base space B have positive curvature. These solutions depend on two extra parameters, other than the mass and the NUT charge. These are electric charge q and electric potential at infinity V. We investigate the existence of Taub-NUT solutions and find that in addition to the two conditions of uncharged NUT solutions, there exist two extra conditions. These two extra conditions come from the regularity of vector potential at r=N and the fact that the horizon at r=N should be the outer horizon of the NUT charged black hole. We find that the NUT solutions in 2k+2 dimensions have no curvature singularity at r=N, when the 2k-dimensional base space is chosen to be CP 2k . For bolt solutions, there exists an upper limit for the NUT parameter which decreases as the potential parameter increases. Second, we study the thermodynamics of these spacetimes. We compute temperature, entropy, charge, electric potential, action and mass of the black hole solutions, and find that these quantities satisfy the first law of thermodynamics. We perform a stability analysis by computing the heat capacity, and show that the NUT solutions are not thermally stable for even k's, while there exists a stable phase for odd k's, which becomes increasingly narrow with increasing dimensionality and wide with increasing V. We also study the phase behavior of the 4 and 6 dimensional bolt solutions in canonical ensemble and find that these solutions have a stable phase, which becomes smaller as V increases
Computation of Thermodynamic Equilibria Pertinent to Nuclear Materials in Multi-Physics Codes
Piro, Markus Hans Alexander
Nuclear energy plays a vital role in supporting electrical needs and fulfilling commitments to reduce greenhouse gas emissions. Research is a continuing necessity to improve the predictive capabilities of fuel behaviour in order to reduce costs and to meet increasingly stringent safety requirements by the regulator. Moreover, a renewed interest in nuclear energy has given rise to a "nuclear renaissance" and the necessity to design the next generation of reactors. In support of this goal, significant research efforts have been dedicated to the advancement of numerical modelling and computational tools in simulating various physical and chemical phenomena associated with nuclear fuel behaviour. This undertaking in effect is collecting the experience and observations of a past generation of nuclear engineers and scientists in a meaningful way for future design purposes. There is an increasing desire to integrate thermodynamic computations directly into multi-physics nuclear fuel performance and safety codes. A new equilibrium thermodynamic solver is being developed with this matter as a primary objective. This solver is intended to provide thermodynamic material properties and boundary conditions for continuum transport calculations. There are several concerns with the use of existing commercial thermodynamic codes: computational performance; limited capabilities in handling large multi-component systems of interest to the nuclear industry; convenient incorporation into other codes with quality assurance considerations; and, licensing entanglements associated with code distribution. The development of this software in this research is aimed at addressing all of these concerns. The approach taken in this work exploits fundamental principles of equilibrium thermodynamics to simplify the numerical optimization equations. In brief, the chemical potentials of all species and phases in the system are constrained by estimates of the chemical potentials of the system
Bridging scales with thermodynamics: from nano to macro
International Nuclear Information System (INIS)
Kjelstrup, Signe; Bedeaux, Dick; Trinh, Thuat; Schnell, Sondre K; Vlugt, Thijs J H; Simon, Jean-Marc; Bardow, Andre
2014-01-01
We have recently developed a method to calculate thermodynamic properties of macroscopic systems by extrapolating properties of systems of molecular dimensions. Appropriate scaling laws for small systems were derived using the method for small systems thermodynamics of Hill, considering surface and nook energies in small systems of varying sizes. Given certain conditions, Hill's method provides the same systematic basis for small systems as conventional thermodynamics does for large systems. We show how the method can be used to compute thermodynamic data for the macroscopic limit from knowledge of fluctuations in the small system. The rapid and precise method offers an alternative to current more difficult computations of thermodynamic factors from Kirkwood–Buff integrals. When multiplied with computed Maxwell–Stefan diffusivities, agreement is found between computed predictions and experiments of the Fick diffusion coefficients for several binary systems. Diffusion coefficients were obtained by linking the Green–Kubo formulae to the Onsager coefficients. The formulae were used to improve/disprove empirical formulae for diffusion coefficients. (review)
Geometro-thermodynamics of tidal charged black holes
International Nuclear Information System (INIS)
Gergely, Laszlo Arpad; Pidokrajt, Narit; Winitzki, Sergei
2011-01-01
Tidal charged spherically symmetric vacuum brane black holes are characterized by their mass m and tidal charge q, an imprint of the five-dimensional Weyl curvature. For q>0 they are formally identical to the Reissner-Nordstroem black hole of general relativity. We study the thermodynamics and thermodynamic geometries of tidal charged black holes and discuss similarities and differences as compared to the Reissner-Nordstroe m black hole. As a similarity, we show that (for q>0) the heat capacity of the tidal charged black hole diverges on a set of measure zero of the parameter space, nevertheless both the regularity of the Ruppeiner metric and a Poincare stability analysis show no phase transition at those points. The thermodynamic state spaces being different indicates that the underlying statistical models could be different. We find that the q<0 parameter range, which enhances the localization of gravity on the brane, is thermodynamically preferred. Finally we constrain for the first time the possible range of the tidal charge from the thermodynamic limit on gravitational radiation efficiency at black hole mergers. (orig.)
International Nuclear Information System (INIS)
Dietzel, F.; Wagner, W.
1998-01-01
The forms of energy 'intrinsic energy, enthalpy and heat' are dealt with in detail. The difference between work due to change of volume and technical work is clearly stressed. The problems of equivalence between thermal energy and mechanical energy and the limits of convertibility of the two forms of energy are treated in detail. In the sections dealing with the cycles of thermal engines and machines as well as in the section on water vhe section on water vapor and its application in the steam power process only small changes were required. The book contains 80 mathematical examples, 135 figures and diagrams as well as 12 tables with materials data. (orig.) [de
Hamm, L. L.; Vanbrunt, V.
1982-08-01
The numerical solution to the ordinary differential equation which describes the high-pressure vapor-liquid equilibria of a binary system where one of the components is supercritical and exists as a noncondensable gas in the pure state is considered with emphasis on the implicit Runge-Kuta and orthogonal collocation methods. Some preliminary results indicate that the implicit Runge-Kutta method is superior. Due to the extreme nonlinearity of thermodynamic properties in the region near the critical locus, and extended cubic spline fitting technique is devised for correlating the P-x data. The least-squares criterion is employed in smoothing the experimental data. The technique could easily be applied to any thermodynamic data by changing the endpoint requirements. The volumetric behavior of the systems must be given or predicted in order to perform thermodynamic consistency tests. A general procedure is developed for predicting the volumetric behavior required and some indication as to the expected limit of accuracy is given.
Thermodynamics of spin chains of Haldane–Shastry type and one-dimensional vertex models
International Nuclear Information System (INIS)
Enciso, Alberto; Finkel, Federico; González-López, Artemio
2012-01-01
We study the thermodynamic properties of spin chains of Haldane–Shastry type associated with the A N−1 root system in the presence of a uniform external magnetic field. To this end, we exactly compute the partition function of these models for an arbitrary finite number of spins. We then show that these chains are equivalent to a suitable inhomogeneous classical Ising model in a spatially dependent magnetic field, generalizing the results of Basu-Mallick et al. for the zero magnetic field case. Using the standard transfer matrix approach, we are able to compute in closed form the free energy per site in the thermodynamic limit. We perform a detailed analysis of the chains’ thermodynamics in a unified way, with special emphasis on the zero field and zero temperature limits. Finally, we provide a novel interpretation of the thermodynamic quantities of spin chains of Haldane–Shastry type as weighted averages of the analogous quantities over an ensemble of classical Ising models. - Highlights: ► Partition function of spin chains of Haldane–Shastry type in magnetic field. ► Equivalence to classical inhomogeneous Ising models. ► Free energy per site, other thermodynamic quantities in thermodynamic limit. ► Zero field, zero temperature limits. ► Thermodynamic equivalence with ensemble of classical Ising models.
Multi-pressure boiler thermodynamics analysis code
International Nuclear Information System (INIS)
Lorenzoni, G.
1992-01-01
A new method and the relative FORTRAN program for the thermodynamics design analysis of a multipressure boiler are reported. This method permits the thermodynamics design optimization with regard to total exergy production and a preliminary costs
THERMODYNAMIC STUDIES ON THE CHARGE-TRANSFER ...
African Journals Online (AJOL)
... technique was employed to investigate thermodynamic parameters associated with the interaction ... KEY WORDS: Amitriptyline , chloranilic acid, thermodynamic parameters. Global Jnl Pure & Applied Sciences Vol.10(1) 2004: 147-153 ...
Quantum and thermodynamic aspects of Black Holes
International Nuclear Information System (INIS)
Sande e Lemos, J.P. de; Videira, A.L.L.
1983-01-01
The main results originating from the attempts of trying to incorporate quantum and thermodynamic properties and concepts to the gravitational system black hole, essentially the Hawking effect and the four laws of thermodynamics are reviewed. (Author) [pt
Thermodynamic efficiency of nonimaging concentrators
Shatz, Narkis; Bortz, John; Winston, Roland
2009-08-01
The purpose of a nonimaging concentrator is to transfer maximal flux from the phase space of a source to that of a target. A concentrator's performance can be expressed relative to a thermodynamic reference. We discuss consequences of Fermat's principle of geometrical optics. We review étendue dilution and optical loss mechanisms associated with nonimaging concentrators, especially for the photovoltaic (PV) role. We introduce the concept of optical thermodynamic efficiency which is a performance metric combining the first and second laws of thermodynamics. The optical thermodynamic efficiency is a comprehensive metric that takes into account all loss mechanisms associated with transferring flux from the source to the target phase space, which may include losses due to inadequate design, non-ideal materials, fabrication errors, and less than maximal concentration. As such, this metric is a gold standard for evaluating the performance of nonimaging concentrators. Examples are provided to illustrate the use of this new metric. In particular we discuss concentrating PV systems for solar power applications.
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...
Thermodynamics of freezing and melting
DEFF Research Database (Denmark)
Pedersen, Ulf Rørbæk; Costigliola, Lorenzo; Bailey, Nicholas
2016-01-01
phases at a single thermodynamic state point provide the basis for calculating the pressure, density and entropy of fusion as functions of temperature along the melting line, as well as the variation along this line of the reduced crystalline vibrational mean-square displacement (the Lindemann ratio...
Thermodynamical aspects of pulse tubes
Waele, de A.T.A.M.; Steijaert, P.P.; Gijzen, J.
1997-01-01
The cooling power of cryocoolers is determined by the work done by the compressor and the entropy produced by the irreversible processes in the various components of the system. In this paper we discuss the thermodynamics of pulse tubes, but many of the relationships are equally valid for other
Thermodynamics of Oligonucleotide Duplex Melting
Schreiber-Gosche, Sherrie; Edwards, Robert A.
2009-01-01
Melting temperatures of oligonucleotides are useful for a number of molecular biology applications, such as the polymerase chain reaction (PCR). Although melting temperatures are often calculated with simplistic empirical equations, application of thermodynamics provides more accurate melting temperatures and an opportunity for students to apply…
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.
Simulating metabolism with statistical thermodynamics.
Cannon, William R
2014-01-01
New methods are needed for large scale modeling of metabolism that predict metabolite levels and characterize the thermodynamics of individual reactions and pathways. Current approaches use either kinetic simulations, which are difficult to extend to large networks of reactions because of the need for rate constants, or flux-based methods, which have a large number of feasible solutions because they are unconstrained by the law of mass action. This report presents an alternative modeling approach based on statistical thermodynamics. The principles of this approach are demonstrated using a simple set of coupled reactions, and then the system is characterized with respect to the changes in energy, entropy, free energy, and entropy production. Finally, the physical and biochemical insights that this approach can provide for metabolism are demonstrated by application to the tricarboxylic acid (TCA) cycle of Escherichia coli. The reaction and pathway thermodynamics are evaluated and predictions are made regarding changes in concentration of TCA cycle intermediates due to 10- and 100-fold changes in the ratio of NAD+:NADH concentrations. Finally, the assumptions and caveats regarding the use of statistical thermodynamics to model non-equilibrium reactions are discussed.
THERMODYNAMICS USED IN ENVIRONMENTAL ENGINEERING
Thermodynamics is a science in which energy transformations are studied as well as their relationships to the changes in the chemical properties of a system. It is the fundamental basis of many engineering fields. The profession of environmental engineering is no exception. In pa...
Thermodynamics on the Molality Scale
Canagaratna, Sebastian G.; Maheswaran, M.
2013-01-01
For physical measurements, the compositions of solutions, especially electrolyte solutions, are expressed in terms of molality rather than mole fractions. The development of the necessary thermodynamic equations directly in terms of molality is not common in textbooks, and the treatment in the literature is not very systematic. We develop a…
A Simple Statistical Thermodynamics Experiment
LoPresto, Michael C.
2010-01-01
Comparing the predicted and actual rolls of combinations of both two and three dice can help to introduce many of the basic concepts of statistical thermodynamics, including multiplicity, probability, microstates, and macrostates, and demonstrate that entropy is indeed a measure of randomness, that disordered states (those of higher entropy) are…
A thermodynamic reference database for nuclear waste disposal
Energy Technology Data Exchange (ETDEWEB)
Brendler, V. [Helmholtz-Zentrum Dresden-Rossendorf, Dresden (Germany); Altmaier, M. [Karlsruhe Institute of Technology, Karlsruhe (Germany); Moog, H. [Gesellschaft fuer Anlagen- und Reaktorsicherheit mbH, Braunschweig (Germany); Voigt, W. [TU Bergakademie Freiberg (Germany); Wilhelm, S. [AF Consult Switzerland AG, Baden (Switzerland)
2015-07-01
Safety analysis for a geological repository for radioactive waste as well as remediation measures for uranium mining and processing legacies share an essential: the need for a reliable, traceable and accurate assessment of potential migration of toxic constituents into the biosphere. The respective computational codes require site-independent thermodynamic data concerning aqueous speciation, solubility limiting solid phases and ion-interaction parameters. Such databases, however, show several constraints: - Incompleteness in terms of major and trace elements - Inconsistencies between species considered and corresponding formation constants - Restricted variation ranges of intensive parameters (temperature, density, pressure) - Limitations with respect to solution compositions (ionic strength). To overcome these limitations to a significant degree, an ambitious database project - THEREDA - has been launched in 2006 by institutions leading in the field of safety research for nuclear waste disposal in Germany. The main objective is a centrally administrated and maintained database of verified thermodynamic parameters for environmental applications in general and radiochemical issues in particular. During the last year, the most important point was the official release of four more datasets (adding carbonate, An(III), Np(V) and Cs to the hexary system of oceanic salts), all based on the Pitzer model describing the ion-ion interactions. They can all be downloaded as separate files from the project web site www.thereda.de (navigation menu: THEREDA Data Query → Tailored Databases) as generic ASCII type, and in formats specific to the geochemical speciation codes PhreeqC, EQ3/6, ChemApp and Geochemist Workbench. Moreover, access to data records is now also possible through interactive forms (menu: THEREDA Data Query → Single Data Query // Complex Systems), both with export options as CSV or MS Excel file. Additional releases of thermodynamic data for Th(IV), U(IV) and
A thermodynamic reference database for nuclear waste disposal
International Nuclear Information System (INIS)
Brendler, V.; Altmaier, M.; Moog, H.; Voigt, W.; Wilhelm, S.
2015-01-01
Safety analysis for a geological repository for radioactive waste as well as remediation measures for uranium mining and processing legacies share an essential: the need for a reliable, traceable and accurate assessment of potential migration of toxic constituents into the biosphere. The respective computational codes require site-independent thermodynamic data concerning aqueous speciation, solubility limiting solid phases and ion-interaction parameters. Such databases, however, show several constraints: - Incompleteness in terms of major and trace elements - Inconsistencies between species considered and corresponding formation constants - Restricted variation ranges of intensive parameters (temperature, density, pressure) - Limitations with respect to solution compositions (ionic strength). To overcome these limitations to a significant degree, an ambitious database project - THEREDA - has been launched in 2006 by institutions leading in the field of safety research for nuclear waste disposal in Germany. The main objective is a centrally administrated and maintained database of verified thermodynamic parameters for environmental applications in general and radiochemical issues in particular. During the last year, the most important point was the official release of four more datasets (adding carbonate, An(III), Np(V) and Cs to the hexary system of oceanic salts), all based on the Pitzer model describing the ion-ion interactions. They can all be downloaded as separate files from the project web site www.thereda.de (navigation menu: THEREDA Data Query → Tailored Databases) as generic ASCII type, and in formats specific to the geochemical speciation codes PhreeqC, EQ3/6, ChemApp and Geochemist Workbench. Moreover, access to data records is now also possible through interactive forms (menu: THEREDA Data Query → Single Data Query // Complex Systems), both with export options as CSV or MS Excel file. Additional releases of thermodynamic data for Th(IV), U(IV) and
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
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.
Teaching elementary thermodynamics and energy conversion: Opinions
International Nuclear Information System (INIS)
Gaggioli, Richard A.
2010-01-01
This presentation deals with innovation in teaching and understanding of thermodynamic principles. Key features of the approach being advocated are: (a) postulation of the existence of entropy, (b) explicitly associating energy transfers with other transports, (c) stating the 2nd Law in terms of Gibbs' available-energy, (d) systematic use of software such as EES. The paper outlines and elaborates upon an introductory course. Major headings in the course are: basic concepts: properties, additive properties and balances, primitive properties, energy, 1st Law. entropy, elementary academic applications of balances, available-energy, second law, exergy, thermostatic property relations, EES. Applications to processes, fluid flow, Heat transfer, thermochemical. Applications to devices, single-process, compound-process, systems (consisting of devices and processes functioning together).
Thermodynamics of natural and industrial waters
Energy Technology Data Exchange (ETDEWEB)
Pitzer, K.S.
1991-08-01
The most effective general formulations of thermodynamic equations for multicomponent aqueous solutions are discussed with respect to various ranges of temperature, pressure and composition with emphasis on solutes important in natural or industrial waters. A familiar equation in molality and in excess Gibbs energy is very successful up to 300{degree}C and ionic strength 6 mol{center dot}kg{sup {minus}1}, and can often be extended to 350{degree}C or above at high pressure and in favorable cases to ionic strength 12 or even 20. Alternate methods valid to higher solute compositions, even to pure fused salts, are described. A more difficult situation arises near the critical point of water where the compressibility becomes infinite and a Helmholtz energy basis must be adopted. Existing equations for this range and still higher temperatures and pressures are considered and possible improvements discussed. 85 refs., 13 figs., 3 tabs.
Thermodynamics of complexity and pattern manipulation
Garner, Andrew J. P.; Thompson, Jayne; Vedral, Vlatko; Gu, Mile
2017-04-01
Many organisms capitalize on their ability to predict the environment to maximize available free energy and reinvest this energy to create new complex structures. This functionality relies on the manipulation of patterns—temporally ordered sequences of data. Here, we propose a framework to describe pattern manipulators—devices that convert thermodynamic work to patterns or vice versa—and use them to build a "pattern engine" that facilitates a thermodynamic cycle of pattern creation and consumption. We show that the least heat dissipation is achieved by the provably simplest devices, the ones that exhibit desired operational behavior while maintaining the least internal memory. We derive the ultimate limits of this heat dissipation and show that it is generally nonzero and connected with the pattern's intrinsic crypticity—a complexity theoretic quantity that captures the puzzling difference between the amount of information the pattern's past behavior reveals about its future and the amount one needs to communicate about this past to optimally predict the future.
Kinetics and Thermodynamics of Membrane Protein Folding
Directory of Open Access Journals (Sweden)
Ernesto A. Roman
2014-03-01
Full Text Available Understanding protein folding has been one of the great challenges in biochemistry and molecular biophysics. Over the past 50 years, many thermodynamic and kinetic studies have been performed addressing the stability of globular proteins. In comparison, advances in the membrane protein folding field lag far behind. Although membrane proteins constitute about a third of the proteins encoded in known genomes, stability studies on membrane proteins have been impaired due to experimental limitations. Furthermore, no systematic experimental strategies are available for folding these biomolecules in vitro. Common denaturing agents such as chaotropes usually do not work on helical membrane proteins, and ionic detergents have been successful denaturants only in few cases. Refolding a membrane protein seems to be a craftsman work, which is relatively straightforward for transmembrane β-barrel proteins but challenging for α-helical membrane proteins. Additional complexities emerge in multidomain membrane proteins, data interpretation being one of the most critical. In this review, we will describe some recent efforts in understanding the folding mechanism of membrane proteins that have been reversibly refolded allowing both thermodynamic and kinetic analysis. This information will be discussed in the context of current paradigms in the protein folding field.
Casimir effect and thermodynamics of horizon instabilities
International Nuclear Information System (INIS)
Hartnoll, Sean A.
2004-01-01
We propose a dual thermodynamic description of a classical instability of generalized black hole spacetimes. From a thermodynamic perspective, the instability is due to negative compressibility in regions where the Casimir pressure is large. The argument indicates how the correspondence between thermodynamic and classical instability for horizons may be extended to cases without translational invariance
Matoz-Fernandez, D A; Linares, D H; Ramirez-Pastor, A J
2012-09-04
The statistical thermodynamics of straight rigid rods of length k on triangular lattices was developed on a generalization in the spirit of the lattice-gas model and the classical Guggenheim-DiMarzio approximation. In this scheme, the Helmholtz free energy and its derivatives were written in terms of the order parameter, δ, which characterizes the nematic phase occurring in the system at intermediate densities. Then, using the principle of minimum free energy with δ as a parameter, the main adsorption properties were calculated. Comparisons with Monte Carlo simulations and experimental data were performed in order to evaluate the outcome and limitations of the theoretical model.
Yin, Jian; Fenley, Andrew T.; Henriksen, Niel M.; Gilson, Michael K.
2015-01-01
Improving the capability of atomistic computer models to predict the thermodynamics of noncovalent binding is critical for successful structure-based drug design, and the accuracy of such calculations remains limited by non-optimal force field parameters. Ideally, one would incorporate protein-ligand affinity data into force field parametrization, but this would be inefficient and costly. We now demonstrate that sensitivity analysis can be used to efficiently tune Lennard-Jones parameters of aqueous host-guest systems for increasingly accurate calculations of binding enthalpy. These results highlight the promise of a comprehensive use of calorimetric host-guest binding data, along with existing validation data sets, to improve force field parameters for the simulation of noncovalent binding, with the ultimate goal of making protein-ligand modeling more accurate and hence speeding drug discovery. PMID:26181208
Thermodynamics and statistical mechanics. [thermodynamic properties of gases
1976-01-01
The basic thermodynamic properties of gases are reviewed and the relations between them are derived from the first and second laws. The elements of statistical mechanics are then formulated and the partition function is derived. The classical form of the partition function is used to obtain the Maxwell-Boltzmann distribution of kinetic energies in the gas phase and the equipartition of energy theorem is given in its most general form. The thermodynamic properties are all derived as functions of the partition function. Quantum statistics are reviewed briefly and the differences between the Boltzmann distribution function for classical particles and the Fermi-Dirac and Bose-Einstein distributions for quantum particles are discussed.
Pathway Thermodynamics Highlights Kinetic Obstacles in Central Metabolism
Flamholz, Avi; Reznik, Ed; Liebermeister, Wolfram; Milo, Ron
2014-01-01
In metabolism research, thermodynamics is usually used to determine the directionality of a reaction or the feasibility of a pathway. However, the relationship between thermodynamic potentials and fluxes is not limited to questions of directionality: thermodynamics also affects the kinetics of reactions through the flux-force relationship, which states that the logarithm of the ratio between the forward and reverse fluxes is directly proportional to the change in Gibbs energy due to a reaction (ΔrG′). Accordingly, if an enzyme catalyzes a reaction with a ΔrG′ of -5.7 kJ/mol then the forward flux will be roughly ten times the reverse flux. As ΔrG′ approaches equilibrium (ΔrG′ = 0 kJ/mol), exponentially more enzyme counterproductively catalyzes the reverse reaction, reducing the net rate at which the reaction proceeds. Thus, the enzyme level required to achieve a given flux increases dramatically near equilibrium. Here, we develop a framework for quantifying the degree to which pathways suffer these thermodynamic limitations on flux. For each pathway, we calculate a single thermodynamically-derived metric (the Max-min Driving Force, MDF), which enables objective ranking of pathways by the degree to which their flux is constrained by low thermodynamic driving force. Our framework accounts for the effect of pH, ionic strength and metabolite concentration ranges and allows us to quantify how alterations to the pathway structure affect the pathway's thermodynamics. Applying this methodology to pathways of central metabolism sheds light on some of their features, including metabolic bypasses (e.g., fermentation pathways bypassing substrate-level phosphorylation), substrate channeling (e.g., of oxaloacetate from malate dehydrogenase to citrate synthase), and use of alternative cofactors (e.g., quinone as an electron acceptor instead of NAD). The methods presented here place another arrow in metabolic engineers' quiver, providing a simple means of evaluating
Structural thermodynamics of alloys
Manenc, Jack
1973-01-01
Technical progress has for a very long time been directly dependent on progress in metallurgy, which is itself connected with improvements in the technology of alloys. Metals are most frequently used in the form of alloys for several reasons: the quantity of pure metal in its native state in the earth's crust is very limited; pure metals must be extracted from ores which are themselves impure. Finally, the methods of treatment used lead more easily to alloys than to pure metals. The most typical case is that of iron, where a pure ore may be found, but which is the starting point for cast iron or steel, alloys of iron and carbon. In addition, the properties of alloys are in general superior to those of pure metals and modem metallurgy consists of controlling these properties so as to make them conform to the requirements of the design office. Whilst the engineer was formerly compelled to adapt his designs and constructions to the materials available, such as wood, stone, bronze, iron, cast iron and ordinary st...
Black hole enthalpy and an entropy inequality for the thermodynamic volume
International Nuclear Information System (INIS)
Cvetic, M.; Gibbons, G. W.; Kubiznak, D.; Pope, C. N.
2011-01-01
In a theory where the cosmological constant Λ or the gauge coupling constant g arises as the vacuum expectation value, its variation should be included in the first law of thermodynamics for black holes. This becomes dE=TdS+Ω i dJ i +Φ α dQ α +ΘdΛ, where E is now the enthalpy of the spacetime, and Θ, the thermodynamic conjugate of Λ, is proportional to an effective volume V=-(16πΘ/D-2)''inside the event horizon.'' Here we calculate Θ and V for a wide variety of D-dimensional charged rotating asymptotically anti-de Sitter (AdS) black hole spacetimes, using the first law or the Smarr relation. We compare our expressions with those obtained by implementing a suggestion of Kastor, Ray, and Traschen, involving Komar integrals and Killing potentials, which we construct from conformal Killing-Yano tensors. We conjecture that the volume V and the horizon area A satisfy the inequality R≡ ((D-1)V/A D-2 ) 1/(D-1) (A D-2 /A) 1/(D-2) ≥1, where A D-2 is the volume of the unit (D-2) sphere, and we show that this is obeyed for a wide variety of black holes, and saturated for Schwarzschild-AdS. Intriguingly, this inequality is the ''inverse'' of the isoperimetric inequality for a volume V in Euclidean (D-1) space bounded by a surface of area A, for which R≤1. Our conjectured reverse isoperimetric inequality can be interpreted as the statement that the entropy inside a horizon of a given ''volume''V is maximized for Schwarzschild-AdS. The thermodynamic definition of V requires a cosmological constant (or gauge coupling constant). However, except in seven dimensions, a smooth limit exists where Λ or g goes to zero, providing a definition of V even for asymptotically flat black holes.
International Nuclear Information System (INIS)
Phan, Anh Thu; Paek, Min-Kyu; Kang, Youn-Bae
2014-01-01
In order to provide an efficient tool to design alloy chemistry and processing conditions for high-strength, lightweight steel, an investigation of the Fe–Al–C ternary system was carried out by experimental phase diagram measurement and a CALPHAD thermodynamic analysis. Discrepancies between previously available experimental results and thermodynamic calculations were identified. The Fe–Al sub-binary system was re-optimized in order to obtain an accurate description of the liquid phase, while Gibbs energies of solid phases were mainly taken from a previous thermodynamic modeling. Phase equilibria among face-centered cubic (fcc)/body-centered cubic (bcc)/graphite/κ-carbide/liquid phases in the Fe–Al–C system in the temperature range from 1000 to 1400 °C were obtained by chemical equilibration followed by quenching, and subsequent composition analysis using electron probe microanalysis/inductively coupled plasma spectroscopy. By merging the revised Fe–Al binary description with existing Fe–C and Al–C binary descriptions, a complete thermodynamic description of the Fe–Al–C system was obtained in the present study. The modified quasi-chemical model in the pair approximation was used to model the liquid phase, while solid solutions were modeled using compound energy formalism. A2/B2 order/disorder transition in the bcc phase was taken into account. Compared with previously known experiments/thermodynamic modeling, a better agreement was obtained in the present study, regarding the stable region of fcc and the solidification thermal peak of a ternary alloy near the liquidus temperature. The obtained thermodynamic description also reproduced various types of experimental data in the Fe–Al–C system such as isothermal sections, vertical sections, liquidus projection, etc. The solidification of various steel grades was predicted and discussed
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 of long-run economic innovation and growth
Garrett, Timothy J.
2013-01-01
This article derives prognostic expressions for the evolution of globally aggregated economic wealth, productivity, inflation, technological change, innovation and growth. The approach is to treat civilization as an open, non-equilibrium thermodynamic system that dissipates energy and diffuses matter in order to sustain existing circulations and to further its material growth. Appealing to a prior result that established a fixed relationship between a very general representation of global eco...
Thermodynamic calculation on the stability of (Fe,Mn){sub 3}AlC carbide in high aluminum steels
Energy Technology Data Exchange (ETDEWEB)
Chin, Kwang-Geun [Automotive Steel Products Research Group, POSCO Technical Research Laboratories, POSCO, Jeonnam 545-090 (Korea, Republic of); School of Materials Science and Engineering, Pusan National University, Pusan, 609-735 (Korea, Republic of); Lee, Hyuk-Joong [Department of Materials Science and Engineering, Pohang University of Science and Technology (POSTECH), Pohang 790-784 (Korea, Republic of); Kwak, Jai-Hyun [Automotive Steel Products Research Group, POSCO Technical Research Laboratories, POSCO, Jeonnam 545-090 (Korea, Republic of); Kang, Jung-Yoon [School of Materials Science and Engineering, Pusan National University, Pusan, 609-735 (Korea, Republic of); Lee, Byeong-Joo, E-mail: calphad@postech.ac.k [Department of Materials Science and Engineering, Pohang University of Science and Technology (POSTECH), Pohang 790-784 (Korea, Republic of)
2010-08-27
A CALPHAD type thermodynamic description for the Fe-Mn-Al-C quaternary system has been constructed by combining a newly assessed Mn-Al-C ternary description and a partly modified Fe-Al-C description to an existing thermodynamic database for steels. A special attention was paid to reproduce experimentally reported phase stability of {kappa} carbide in high Al and high Mn steels. This paper demonstrates that the proposed thermodynamic description makes it possible to predict phase equilibria in corresponding alloys with a practically acceptable accuracy. The applicability of the thermodynamic calculation is also demonstrated for the interpretation of microstructural and constitutional evolution during industrial processes for high Al steels.
Thermodynamic calculation on the stability of (Fe,Mn)3AlC carbide in high aluminum steels
International Nuclear Information System (INIS)
Chin, Kwang-Geun; Lee, Hyuk-Joong; Kwak, Jai-Hyun; Kang, Jung-Yoon; Lee, Byeong-Joo
2010-01-01
A CALPHAD type thermodynamic description for the Fe-Mn-Al-C quaternary system has been constructed by combining a newly assessed Mn-Al-C ternary description and a partly modified Fe-Al-C description to an existing thermodynamic database for steels. A special attention was paid to reproduce experimentally reported phase stability of κ carbide in high Al and high Mn steels. This paper demonstrates that the proposed thermodynamic description makes it possible to predict phase equilibria in corresponding alloys with a practically acceptable accuracy. The applicability of the thermodynamic calculation is also demonstrated for the interpretation of microstructural and constitutional evolution during industrial processes for high Al steels.
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.)
Thermodynamic model of a solid with RKKY interaction and magnetoelastic coupling
Balcerzak, T.; Szałowski, K.; Jaščur, M.
2018-04-01
Thermodynamic description of a model system with magnetoelastic coupling is presented. The elastic, vibrational, electronic and magnetic energy contributions are taken into account. The long-range RKKY interaction is considered together with the nearest-neighbour direct exchange. The generalized Gibbs potential and the set of equations of state are derived, from which all thermodynamic functions are self-consistently obtained. Thermodynamic properties are calculated numerically for FCC structure for arbitrary external pressure, magnetic field and temperature, and widely discussed. In particular, for some parameters of interaction potential and electron concentration corresponding to antiferromagnetic phase, the existence of negative thermal expansion coefficient is predicted.
Violation of the First Law of Thermodynamics in f(R,T) Gravity
International Nuclear Information System (INIS)
Jamil, Mubasher; Momeni, D.; Myrzakulov, Ratbay
2012-01-01
We derive the first law of thermodynamics using the method proposed by Wald. Treating the entropy as Noether charge and comparing with the usual first law of thermodynamics, we obtain explicitly the expression of entropy which contains infinitely many non-local terms (i.e. the integral terms). We have proved, in general, that the first law of black hole thermodynamics is violated for f(R,T) gravity. However, there might exist some special cases in which the first law for f(R,T) gravity is recovered
Thermodynamics of higher dimensional black holes
International Nuclear Information System (INIS)
Accetta, F.S.; Gleiser, M.
1986-05-01
We discuss the thermodynamics of higher dimensional black holes with particular emphasis on a new class of spinning black holes which, due to the increased number of Casimir invariants, have additional spin degrees of freedom. In suitable limits, analytic solutions in arbitrary dimensions are presented for their temperature, entropy, and specific heat. In 5 + 1 and 9 + 1 dimensions, more general forms for these quantities are given. It is shown that the specific heat for a higher dimensional black hole is negative definite if it has only one non-zero spin parameter, regardless of the value of this parameter. We also consider equilibrium configurations with both massless particles and massive string modes. 16 refs., 3 figs
Adaptive machine and its thermodynamic costs
Allahverdyan, Armen E.; Wang, Q. A.
2013-03-01
We study the minimal thermodynamically consistent model for an adaptive machine that transfers particles from a higher chemical potential reservoir to a lower one. This model describes essentials of the inhomogeneous catalysis. It is supposed to function with the maximal current under uncertain chemical potentials: if they change, the machine tunes its own structure fitting it to the maximal current under new conditions. This adaptation is possible under two limitations: (i) The degree of freedom that controls the machine's structure has to have a stored energy (described via a negative temperature). The origin of this result is traced back to the Le Chatelier principle. (ii) The machine has to malfunction at a constant environment due to structural fluctuations, whose relative magnitude is controlled solely by the stored energy. We argue that several features of the adaptive machine are similar to those of living organisms (energy storage, aging).
Thermodynamics of a stochastic twin elevator.
Kumar, Niraj; Van den Broeck, Christian; Esposito, Massimiliano; Lindenberg, Katja
2011-11-01
We study the nonequilibrium thermodynamics of a single particle with two available energy levels, in contact with a classical (Maxwell-Boltzmann) or quantum (Bose-Einstein) heat bath. The particle can undergo transitions between the levels via thermal activation or deactivation. The energy levels are alternately raised at a given rate regardless of occupation by the particle, maintaining a fixed energy gap equal to ε between them. We explicitly calculate the work, heat, and entropy production rates. The efficiency in both the classical and the quantum case goes to a limit between 100 and 50% that depends on the relative rates of particle transitions and level elevation. In the classical problem we explicitly find the large deviation functions for heat, work, and internal energy.
Thermodynamics of higher dimensional black holes
Energy Technology Data Exchange (ETDEWEB)
Accetta, F.S.; Gleiser, M.
1986-05-01
We discuss the thermodynamics of higher dimensional black holes with particular emphasis on a new class of spinning black holes which, due to the increased number of Casimir invariants, have additional spin degrees of freedom. In suitable limits, analytic solutions in arbitrary dimensions are presented for their temperature, entropy, and specific heat. In 5 + 1 and 9 + 1 dimensions, more general forms for these quantities are given. It is shown that the specific heat for a higher dimensional black hole is negative definite if it has only one non-zero spin parameter, regardless of the value of this parameter. We also consider equilibrium configurations with both massless particles and massive string modes. 16 refs., 3 figs.
Lorentz violation and black-hole thermodynamics
International Nuclear Information System (INIS)
Betschart, G.; Kant, E.; Klinkhamer, F.R.
2009-01-01
We consider nonstandard photons from nonbirefringent modified Maxwell theory and discuss their propagation in a fixed Schwarzschild spacetime background. This particular modification of Maxwell theory is Lorentz-violating and allows for maximal photon velocities differing from the causal speed c of the asymptotic background spacetime. In the limit of geometrical optics, light rays from modified Maxwell theory are found to propagate along null geodesics in an effective metric. We observe that not every Lorentz-violating theory with multiple maximal velocities different from the causal speed c modifies the notion of the event horizon, contrary to naive expectations. This result implies that not every Lorentz-violating theory with multiple maximal velocities necessarily leads to a contradiction with the generalized second law of thermodynamics.
Strong Coupling Corrections in Quantum Thermodynamics
Perarnau-Llobet, M.; Wilming, H.; Riera, A.; Gallego, R.; Eisert, J.
2018-03-01
Quantum systems strongly coupled to many-body systems equilibrate to the reduced state of a global thermal state, deviating from the local thermal state of the system as it occurs in the weak-coupling limit. Taking this insight as a starting point, we study the thermodynamics of systems strongly coupled to thermal baths. First, we provide strong-coupling corrections to the second law applicable to general systems in three of its different readings: As a statement of maximal extractable work, on heat dissipation, and bound to the Carnot efficiency. These corrections become relevant for small quantum systems and vanish in first order in the interaction strength. We then move to the question of power of heat engines, obtaining a bound on the power enhancement due to strong coupling. Our results are exemplified on the paradigmatic non-Markovian quantum Brownian motion.
Nonequilibrium thermodynamics and energy efficiency in weight loss diets
Directory of Open Access Journals (Sweden)
Fine Eugene J
2007-07-01
Full Text Available Abstract Carbohydrate restriction as a strategy for control of obesity is based on two effects: a behavioral effect, spontaneous reduction in caloric intake and a metabolic effect, an apparent reduction in energy efficiency, greater weight loss per calorie consumed. Variable energy efficiency is established in many contexts (hormonal imbalance, weight regain and knock-out experiments in animal models, but in the area of the effect of macronutrient composition on weight loss, controversy remains. Resistance to the idea comes from a perception that variable weight loss on isocaloric diets would somehow violate the laws of thermodynamics, that is, only caloric intake is important ("a calorie is a calorie". Previous explanations of how the phenomenon occurs, based on equilibrium thermodynamics, emphasized the inefficiencies introduced by substrate cycling and requirements for increased gluconeogenesis. Living systems, however, are maintained far from equilibrium, and metabolism is controlled by the regulation of the rates of enzymatic reactions. The principles of nonequilibrium thermodynamics which emphasize kinetic fluxes as well as thermodynamic forces should therefore also be considered. Here we review the principles of nonequilibrium thermodynamics and provide an approach to the problem of maintenance and change in body mass by recasting the problem of TAG accumulation and breakdown in the adipocyte in the language of nonequilibrium thermodynamics. We describe adipocyte physiology in terms of cycling between an efficient storage mode and a dissipative mode. Experimentally, this is measured in the rate of fatty acid flux and fatty acid oxidation. Hormonal levels controlled by changes in dietary carbohydrate regulate the relative contributions of the efficient and dissipative parts of the cycle. While no experiment exists that measures all relevant variables, the model is supported by evidence in the literature that 1 dietary carbohydrate, via its
The OpenCalphad thermodynamic software interface
Sundman, Bo; Kattner, Ursula R; Sigli, Christophe; Stratmann, Matthias; Le Tellier, Romain; Palumbo, Mauro; Fries, Suzana G
2017-01-01
Thermodynamic data are needed for all kinds of simulations of materials processes. Thermodynamics determines the set of stable phases and also provides chemical potentials, compositions and driving forces for nucleation of new phases and phase transformations. Software to simulate materials properties needs accurate and consistent thermodynamic data to predict metastable states that occur during phase transformations. Due to long calculation times thermodynamic data are frequently pre-calculated into “lookup tables” to speed up calculations. This creates additional uncertainties as data must be interpolated or extrapolated and conditions may differ from those assumed for creating the lookup table. Speed and accuracy requires that thermodynamic software is fully parallelized and the Open-Calphad (OC) software is the first thermodynamic software supporting this feature. This paper gives a brief introduction to computational thermodynamics and introduces the basic features of the OC software and presents four different application examples to demonstrate its versatility. PMID:28260838
Thermodynamic Model of Spatial Memory
Kaufman, Miron; Allen, P.
1998-03-01
We develop and test a thermodynamic model of spatial memory. Our model is an application of statistical thermodynamics to cognitive science. It is related to applications of the statistical mechanics framework in parallel distributed processes research. Our macroscopic model allows us to evaluate an entropy associated with spatial memory tasks. We find that older adults exhibit higher levels of entropy than younger adults. Thurstone's Law of Categorical Judgment, according to which the discriminal processes along the psychological continuum produced by presentations of a single stimulus are normally distributed, is explained by using a Hooke spring model of spatial memory. We have also analyzed a nonlinear modification of the ideal spring model of spatial memory. This work is supported by NIH/NIA grant AG09282-06.
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...
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...
Thermodynamical properties of dark energy
International Nuclear Information System (INIS)
Gong Yungui; Wang Bin; Wang Anzhong
2007-01-01
We have investigated the thermodynamical properties of dark energy. Assuming that the dark energy temperature T∼a -n and considering that the volume of the Universe enveloped by the apparent horizon relates to the temperature, we have derived the dark energy entropy. For dark energy with constant equation of state w>-1 and the generalized Chaplygin gas, the derived entropy can be positive and satisfy the entropy bound. The total entropy, including those of dark energy, the thermal radiation, and the apparent horizon, satisfies the generalized second law of thermodynamics. However, for the phantom with constant equation of state, the positivity of entropy, the entropy bound, and the generalized second law cannot be satisfied simultaneously
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...
Thermodynamics of Dipolar Chain Systems
International Nuclear Information System (INIS)
Armstrong, J.R.; Zinner, N.T.; Fedorov, D.V.; Jensen, A.S.
2013-01-01
The thermodynamics of a quantum system of layers containing perpendicularly oriented dipolar molecules is studied within an oscillator approximation for both bosonic and fermionic species. The system is assumed to be built from chains with one molecule in each layer. We consider the effects of the intralayer repulsion and quantum statistical requirements in systems with more than one chain. Specifically, we consider the case of two chains and solve the problem analytically within the harmonic Hamiltonian approach which is accurate for large dipole moments. The case of three chains is calculated numerically. Our findings indicate that thermodynamic observables, such as the heat capacity, can be used to probe the signatures of the intralayer interaction between chains. This should be relevant for near future experiments on polar molecules with strong dipole moments. (author)
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...
Thermodynamic efficiency of information and heat flow
International Nuclear Information System (INIS)
Allahverdyan, Armen E; Janzing, Dominik; Mahler, Guenter
2009-01-01
A basic task of information processing is information transfer (flow). Here we study a pair of Brownian particles each coupled to a thermal bath at temperatures T 1 and T 2 . The information flow in such a system is defined via the time-shifted mutual information. The information flow nullifies at equilibrium, and its efficiency is defined as the ratio of the flow to the total entropy production in the system. For a stationary state the information flows from higher to lower temperatures, and its efficiency is bounded from above by (max[T 1 ,T 2 ])/(|T 1 −T 2 |). This upper bound is imposed by the second law and it quantifies the thermodynamic cost for information flow in the present class of systems. It can be reached in the adiabatic situation, where the particles have widely different characteristic times. The efficiency of heat flow—defined as the heat flow over the total amount of dissipated heat—is limited from above by the same factor. There is a complementarity between heat and information flow: the set-up which is most efficient for the former is the least efficient for the latter and vice versa. The above bound for the efficiency can be (transiently) overcome in certain non-stationary situations, but the efficiency is still limited from above. We study yet another measure of information processing (transfer entropy) proposed in the literature. Though this measure does not require any thermodynamic cost, the information flow and transfer entropy are shown to be intimately related for stationary states
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.
Thermodynamic properties of sea air
Directory of Open Access Journals (Sweden)
R. Feistel
2010-02-01
Full Text Available Very accurate thermodynamic potential functions are available for fluid water, ice, seawater and humid air covering wide ranges of temperature and pressure conditions. They permit the consistent computation of all equilibrium properties as, for example, required for coupled atmosphere-ocean models or the analysis of observational or experimental data. With the exception of humid air, these potential functions are already formulated as international standards released by the International Association for the Properties of Water and Steam (IAPWS, and have been adopted in 2009 for oceanography by IOC/UNESCO.
In this paper, we derive a collection of formulas for important quantities expressed in terms of the thermodynamic potentials, valid for typical phase transitions and composite systems of humid air and water/ice/seawater. Particular attention is given to equilibria between seawater and humid air, referred to as "sea air" here. In a related initiative, these formulas will soon be implemented in a source-code library for easy practical use. The library is primarily aimed at oceanographic applications but will be relevant to air-sea interaction and meteorology as well.
The formulas provided are valid for any consistent set of suitable thermodynamic potential functions. Here we adopt potential functions from previous publications in which they are constructed from theoretical laws and empirical data; they are briefly summarized in the appendix. The formulas make use of the full accuracy of these thermodynamic potentials, without additional approximations or empirical coefficients. They are expressed in the temperature scale ITS-90 and the 2008 Reference-Composition Salinity Scale.
Improved Estimates of Thermodynamic Parameters
Lawson, D. D.
1982-01-01
Techniques refined for estimating heat of vaporization and other parameters from molecular structure. Using parabolic equation with three adjustable parameters, heat of vaporization can be used to estimate boiling point, and vice versa. Boiling points and vapor pressures for some nonpolar liquids were estimated by improved method and compared with previously reported values. Technique for estimating thermodynamic parameters should make it easier for engineers to choose among candidate heat-exchange fluids for thermochemical cycles.
Statistics and thermodynamics of fracture
Chudnovsky, A.
1984-01-01
A probabilistic model of the fracture processes unifying the phenomenological study of long term strength of materials, fracture mechanics and statistical approaches to fracture is briefly outlined. The general framework of irreversible thermodynamics is employed to model the deterministic side of the failure phenomenon. The stochastic calculus is used to account for thg failure mechanisms controlled by chance; particularly, the random roughness of fracture surfaces.
Thermodynamic data for uranium fluorides
International Nuclear Information System (INIS)
Leitnaker, J.M.
1983-03-01
Self-consistent thermodynamic data have been tabulated for uranium fluorides between UF 4 and UF 6 , including UF 4 (solid and gas), U 4 F 17 (solid), U 2 F 9 (solid), UF 5 (solid and gas), U 2 F 10 (gas), and UF 6 (solid, liquid, and gas). Included are thermal function - the heat capacity, enthalpy, and free energy function, heats of formation, and vaporization behavior
THERMODYNAMIC MODEL OF GAS HYDRATES
Недоступ, В. И.; Недоступ, О. В.
2015-01-01
The interest to gas hydrates grows last years. Therefore working out of reliable settlement-theoretical methods of definition of their properties is necessary. The thermodynamic model of gas hydrates in which the central place occupies a behaviour of guest molecule in cell is described. The equations of interaction of molecule hydrate formative gas with cell are received, and also an enthalpy and energy of output of molecule from a cell are determined. The equation for calculation of thermody...
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.
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.
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.
Summary of existing uncertainty methods
International Nuclear Information System (INIS)
Glaeser, Horst
2013-01-01
A summary of existing and most used uncertainty methods is presented, and the main features are compared. One of these methods is the order statistics method based on Wilks' formula. It is applied in safety research as well as in licensing. This method has been first proposed by GRS for use in deterministic safety analysis, and is now used by many organisations world-wide. Its advantage is that the number of potential uncertain input and output parameters is not limited to a small number. Such a limitation was necessary for the first demonstration of the Code Scaling Applicability Uncertainty Method (CSAU) by the United States Regulatory Commission (USNRC). They did not apply Wilks' formula in their statistical method propagating input uncertainties to obtain the uncertainty of a single output variable, like peak cladding temperature. A Phenomena Identification and Ranking Table (PIRT) was set up in order to limit the number of uncertain input parameters, and consequently, the number of calculations to be performed. Another purpose of such a PIRT process is to identify the most important physical phenomena which a computer code should be suitable to calculate. The validation of the code should be focused on the identified phenomena. Response surfaces are used in some applications replacing the computer code for performing a high number of calculations. The second well known uncertainty method is the Uncertainty Methodology Based on Accuracy Extrapolation (UMAE) and the follow-up method 'Code with the Capability of Internal Assessment of Uncertainty (CIAU)' developed by the University Pisa. Unlike the statistical approaches, the CIAU does compare experimental data with calculation results. It does not consider uncertain input parameters. Therefore, the CIAU is highly dependent on the experimental database. The accuracy gained from the comparison between experimental data and calculated results are extrapolated to obtain the uncertainty of the system code predictions
Thermodynamic performance assessment of wind energy systems: An application
International Nuclear Information System (INIS)
Redha, Adel Mohammed; Dincer, Ibrahim; Gadalla, Mohamed
2011-01-01
In this paper, the performance of wind energy system is assessed thermodynamically, from resource and technology perspectives. The thermodynamic characteristics of wind through energy and exergy analyses are considered and both energetic and exergetic efficiencies are studied. Wind speed is affected by air temperature and pressure and has a subsequent effect on wind turbine performance based on wind reference temperature and Bernoulli's equation. VESTAS V52 wind turbine is selected for (Sharjah/UAE). Energy and exergy efficiency equations for wind energy systems are further developed for practical applications. The results show that there are noticeable differences between energy and exergy efficiencies and that exergetic efficiency reflects the right/actual performance. Finally, exergy analysis has been proven to be the right tool used in design, simulation, and performance evaluation of all renewable energy systems. -- Highlights: → In this research the performance of wind energy system is assessed thermodynamically, from resource and technology perspectives. → Energy and exergy equations for wind energy systems are further developed for practical applications. → Thermodynamic characteristics of wind turbine systems through energetic and exergetic efficiencies are evaluated from January till March 2010. → Exergy efficiency describes the system irreversibility and the minimum irreversibility exists when the wind speed reaches 11 m/s. → The power production during March was about 17% higher than the month of February and 66% higher than January.
Modelling grain growth in the framework of Rational Extended Thermodynamics
International Nuclear Information System (INIS)
Kertsch, Lukas; Helm, Dirk
2016-01-01
Grain growth is a significant phenomenon for the thermomechanical processing of metals. Since the mobility of the grain boundaries is thermally activated and energy stored in the grain boundaries is released during their motion, a mutual interaction with the process conditions occurs. To model such phenomena, a thermodynamic framework for the representation of thermomechanical coupling phenomena in metals including a microstructure description is required. For this purpose, Rational Extended Thermodynamics appears to be a useful tool. We apply an entropy principle to derive a thermodynamically consistent model for grain coarsening due to the growth and shrinkage of individual grains. Despite the rather different approaches applied, we obtain a grain growth model which is similar to existing ones and can be regarded as a thermodynamic extension of that by Hillert (1965) to more general systems. To demonstrate the applicability of the model, we compare our simulation results to grain growth experiments in pure copper by different authors, which we are able to reproduce very accurately. Finally, we study the implications of the energy release due to grain growth on the energy balance. The present unified approach combining a microstructure description and continuum mechanics is ready to be further used to develop more elaborate material models for complex thermo-chemo-mechanical coupling phenomena. (paper)
Uniqueness of thermodynamic projector and kinetic basis of molecular individualism
Gorban, Alexander N.; Karlin, Iliya V.
2004-05-01
Three results are presented: First, we solve the problem of persistence of dissipation for reduction of kinetic models. Kinetic equations with thermodynamic Lyapunov functions are studied. Uniqueness of the thermodynamic projector is proven: There exists only one projector which transforms any vector field equipped with the given Lyapunov function into a vector field with the same Lyapunov function for a given anzatz manifold which is not tangent to the Lyapunov function levels. Second, we use the thermodynamic projector for developing the short memory approximation and coarse-graining for general nonlinear dynamic systems. We prove that in this approximation the entropy production increases. ( The theorem about entropy overproduction.) In example, we apply the thermodynamic projector to derive the equations of reduced kinetics for the Fokker-Planck equation. A new class of closures is developed, the kinetic multipeak polyhedra. Distributions of this type are expected in kinetic models with multidimensional instability as universally as the Gaussian distribution appears for stable systems. The number of possible relatively stable states of a nonequilibrium system grows as 2 m, and the number of macroscopic parameters is in order mn, where n is the dimension of configuration space, and m is the number of independent unstable directions in this space. The elaborated class of closures and equations pretends to describe the effects of “molecular individualism”. This is the third result.
Modelling grain growth in the framework of Rational Extended Thermodynamics
Kertsch, Lukas; Helm, Dirk
2016-05-01
Grain growth is a significant phenomenon for the thermomechanical processing of metals. Since the mobility of the grain boundaries is thermally activated and energy stored in the grain boundaries is released during their motion, a mutual interaction with the process conditions occurs. To model such phenomena, a thermodynamic framework for the representation of thermomechanical coupling phenomena in metals including a microstructure description is required. For this purpose, Rational Extended Thermodynamics appears to be a useful tool. We apply an entropy principle to derive a thermodynamically consistent model for grain coarsening due to the growth and shrinkage of individual grains. Despite the rather different approaches applied, we obtain a grain growth model which is similar to existing ones and can be regarded as a thermodynamic extension of that by Hillert (1965) to more general systems. To demonstrate the applicability of the model, we compare our simulation results to grain growth experiments in pure copper by different authors, which we are able to reproduce very accurately. Finally, we study the implications of the energy release due to grain growth on the energy balance. The present unified approach combining a microstructure description and continuum mechanics is ready to be further used to develop more elaborate material models for complex thermo-chemo-mechanical coupling phenomena.
Thermodynamics of Acoustic Black Holes in Two Dimensions
Directory of Open Access Journals (Sweden)
Baocheng Zhang
2016-01-01
Full Text Available It is well-known that the thermal Hawking-like radiation can be emitted from the acoustic horizon, but the thermodynamic-like understanding for acoustic black holes was rarely made. In this paper, we will show that the kinematic connection can lead to the dynamic connection at the horizon between the fluid and gravitational models in two dimensions, which implies that there exists the thermodynamic-like description for acoustic black holes. Then, we discuss the first law of thermodynamics for the acoustic black hole via an intriguing connection between the gravitational-like dynamics of the acoustic horizon and thermodynamics. We obtain a universal form for the entropy of acoustic black holes, which has an interpretation similar to the entropic gravity. We also discuss the specific heat and find that the derivative of the velocity of background fluid can be regarded as a novel acoustic analogue of the two-dimensional dilaton potential, which interprets why the two-dimensional fluid dynamics can be connected to the gravitational dynamics but it is difficult for four-dimensional case. In particular, when a constraint is added for the fluid, the analogue of a Schwarzschild black hole can be realized.
Thermodynamic modelling of shape memory behaviour: some examples
International Nuclear Information System (INIS)
Stalmans, R.; Humbeeck, J. van; Delaey, L.
1995-01-01
This paper gives a general view of a recently developed thermodynamic model of the thermoelastic martensitic transformation. Unlike existing empirical, mathematical or thermodynamic models, this generalised thermodynamic model can be used to understand and describe quantitatively the overall thermomechanical behaviour of polycrystalline shape memory alloys. Important points of difference between this and previous thermodynamic models are that the contributions of the stored elastic energy and of the crystal defects are also included. In addition, the mathematical approach and the assumptions in this model are selected in such a way that the calculations yield close approximations of the real behaviour and that the final mathematical equations are relatively simple. Several illustrations indicate that this model, in contrast to other models, can be used to understand the shape memory behaviour of complex cases. As an example of quantitative calculations, it is shown that this modelling can be an effective tool in the ''design'' of multifunctional materials consisting of shape memory elements embedded in matrix materials. (orig.)
A novel constraint for thermodynamically designing DNA sequences.
Directory of Open Access Journals (Sweden)
Qiang Zhang
Full Text Available Biotechnological and biomolecular advances have introduced novel uses for DNA such as DNA computing, storage, and encryption. For these applications, DNA sequence design requires maximal desired (and minimal undesired hybridizations, which are the product of a single new DNA strand from 2 single DNA strands. Here, we propose a novel constraint to design DNA sequences based on thermodynamic properties. Existing constraints for DNA design are based on the Hamming distance, a constraint that does not address the thermodynamic properties of the DNA sequence. Using a unique, improved genetic algorithm, we designed DNA sequence sets which satisfy different distance constraints and employ a free energy gap based on a minimum free energy (MFE to gauge DNA sequences based on set thermodynamic properties. When compared to the best constraints of the Hamming distance, our method yielded better thermodynamic qualities. We then used our improved genetic algorithm to obtain lower-bound DNA sequence sets. Here, we discuss the effects of novel constraint parameters on the free energy gap.
Biochemical thermodynamics: applications of Mathematica.
Alberty, Robert A
2006-01-01
The most efficient way to store thermodynamic data on enzyme-catalyzed reactions is to use matrices of species properties. Since equilibrium in enzyme-catalyzed reactions is reached at specified pH values, the thermodynamics of the reactions is discussed in terms of transformed thermodynamic properties. These transformed thermodynamic properties are complicated functions of temperature, pH, and ionic strength that can be calculated from the matrices of species values. The most important of these transformed thermodynamic properties is the standard transformed Gibbs energy of formation of a reactant (sum of species). It is the most important because when this function of temperature, pH, and ionic strength is known, all the other standard transformed properties can be calculated by taking partial derivatives. The species database in this package contains data matrices for 199 reactants. For 94 of these reactants, standard enthalpies of formation of species are known, and so standard transformed Gibbs energies, standard transformed enthalpies, standard transformed entropies, and average numbers of hydrogen atoms can be calculated as functions of temperature, pH, and ionic strength. For reactions between these 94 reactants, the changes in these properties can be calculated over a range of temperatures, pHs, and ionic strengths, and so can apparent equilibrium constants. For the other 105 reactants, only standard transformed Gibbs energies of formation and average numbers of hydrogen atoms at 298.15 K can be calculated. The loading of this package provides functions of pH and ionic strength at 298.15 K for standard transformed Gibbs energies of formation and average numbers of hydrogen atoms for 199 reactants. It also provides functions of temperature, pH, and ionic strength for the standard transformed Gibbs energies of formation, standard transformed enthalpies of formation, standard transformed entropies of formation, and average numbers of hydrogen atoms for 94
Thermodynamic and structural properties in complexing media
International Nuclear Information System (INIS)
Di Giandomenico, M.V.
2007-10-01
Protactinium is experiencing a renewal of interest in the frame of long-term energy production. Modelling the behaviour of this element in the geosphere requires thermodynamic and structural data relevant to environmental conditions. Now deep clayey formation are considered for the disposal of radioactive waste and high values of natural sulphate contents have been determined in pore water in equilibrium with clay surface. Because of its tendency to polymerisation, hydrolysis and sorption on all solid supports, the equilibria constants relative to monomer species were determined at tracer scale (ca. 10 - 12 M) with 233 Pa. The complexation constants of Pa(V) and sulphate ions were calculated starting from a systematic study of the apparent distribution coefficient D in the system TTA/Toluene/H 2 O/Na 2 SO 4 /HClO 4 /NaClO 4 and as a function of ionic strength, temperature, free sulphate, protons and chelatant concentration. First of all, the interaction between free species H + , SO 4 - , Na + leads to the formation of HSO 4 - and NaSO 4 - , for which concentrations depend upon the related thermodynamic constants. For this purpose a computer code was developed in order to determine all free species concentration. This iterative code takes into account the influence of temperature and ionic strength (SIT modelling) on thermodynamic constants. The direct measure of Pa(V) in the organic and aqueous phase by g-spectrometry had conducted to estimate the apparent distribution coefficient D as function of free sulphate ions. Complexation constants have been determined after a mathematical treatment of D. The extrapolation of these constants at zero ionic strength have been realized by SIT modelling at different temperatures. Besides, enthalpy and entropy values were calculated. Parallelly, the structural study of Pa(V) was performed using 231 Pa. XANES and EXAFS spectra show unambiguously the absence of the trans di-oxo bond that characterizes the other early actinide
Thermodynamics of the silica-steam system
Energy Technology Data Exchange (ETDEWEB)
Krikorian, Oscar H [Lawrence Radiation Laboratory, University of California, Livermore, CA (United States)
1970-05-01
In most nuclear cratering and cavity formation applications, the working fluid in the expanding cavity consists primarily of vaporized silica and steam. The chemical reaction products of silica and steam under these conditions are not known, although it is known that silica is very volatile in the presence of high-pressure steam under certain geologic conditions and in steam turbines. A review is made of work on the silica-steam system in an attempt to determine the vapor species that exist, and to establish the associated thermo-dynamic data. The review indicates that at 600-900 deg K and 1-100 atm steam pressure, Si(OH){sub 4} is the most likely silicon-containing gaseous species. At 600-900 deg. K and 100-1000 atm steam, Si{sub 2}O(OH){sub 6} is believed to predominate, whereas at 1350 deg K and 2000-9000 atm, a mixture of Si(OH){sub 4} and Si{sub 2}O(OH){sub 6} is consistent with the observed volatilities. In work at 1760 deg. K in which silica was reacted either with steam at 0.5 and 1 atm, or with gaseous mixtures of H{sub 2}/H{sub 2}O and O{sub 2}/H{sub 2}O at 1 atm total pressure, only part of the volatility could be accounted for by Si(OH){sub 4}. Hydrogen was found to greatly enhance the volatility of silica, and oxygen to suppress it. The species most likely to explain this behavior is believed to be SiO(OH). A number of other species may also be significant under these conditions. Thermodynamic data have been estimated for all species considered. The Si-OH bond dissociation energy is found to be {approx}117 kcal/mole in both Si(OH){sub 4} and Si{sub 2}O(OH){sub 6}. (author)
Thermodynamic Studies for Drug Design and Screening
Garbett, Nichola C.; Chaires, Jonathan B.
2012-01-01
Introduction A key part of drug design and development is the optimization of molecular interactions between an engineered drug candidate and its binding target. Thermodynamic characterization provides information about the balance of energetic forces driving binding interactions and is essential for understanding and optimizing molecular interactions. Areas covered This review discusses the information that can be obtained from thermodynamic measurements and how this can be applied to the drug development process. Current approaches for the measurement and optimization of thermodynamic parameters are presented, specifically higher throughput and calorimetric methods. Relevant literature for this review was identified in part by bibliographic searches for the period 2004 – 2011 using the Science Citation Index and PUBMED and the keywords listed below. Expert opinion The most effective drug design and development platform comes from an integrated process utilizing all available information from structural, thermodynamic and biological studies. Continuing evolution in our understanding of the energetic basis of molecular interactions and advances in thermodynamic methods for widespread application are essential to realize the goal of thermodynamically-driven drug design. Comprehensive thermodynamic evaluation is vital early in the drug development process to speed drug development towards an optimal energetic interaction profile while retaining good pharmacological properties. Practical thermodynamic approaches, such as enthalpic optimization, thermodynamic optimization plots and the enthalpic efficiency index, have now matured to provide proven utility in design process. Improved throughput in calorimetric methods remains essential for even greater integration of thermodynamics into drug design. PMID:22458502