Maia, Alex S C; Nascimento, Sheila T; Nascimento, Carolina C N; Gebremedhin, Kifle G
2016-05-01
The effects of air temperature and relative humidity on thermal equilibrium of goats in a tropical region was evaluated. Nine non-pregnant Anglo Nubian nanny goats were used in the study. An indirect calorimeter was designed and developed to measure oxygen consumption, carbon dioxide production, methane production and water vapour pressure of the air exhaled from goats. Physiological parameters: rectal temperature, skin temperature, hair-coat temperature, expired air temperature and respiratory rate and volume as well as environmental parameters: air temperature, relative humidity and mean radiant temperature were measured. The results show that respiratory and volume rates and latent heat loss did not change significantly for air temperature between 22 and 26°C. In this temperature range, metabolic heat was lost mainly by convection and long-wave radiation. For temperature greater than 30°C, the goats maintained thermal equilibrium mainly by evaporative heat loss. At the higher air temperature, the respiratory and ventilation rates as well as body temperatures were significantly elevated. It can be concluded that for Anglo Nubian goats, the upper limit of air temperature for comfort is around 26°C when the goats are protected from direct solar radiation. Copyright © 2016 Elsevier Ltd. All rights reserved.
Understanding Thermal Equilibrium through Activities
Pathare, Shirish; Huli, Saurabhee; Nachane, Madhura; Ladage, Savita; Pradhan, Hemachandra
2015-01-01
Thermal equilibrium is a basic concept in thermodynamics. In India, this concept is generally introduced at the first year of undergraduate education in physics and chemistry. In our earlier studies (Pathare and Pradhan 2011 "Proc. episteme-4 Int. Conf. to Review Research on Science Technology and Mathematics Education" pp 169-72) we…
Information-theoretic equilibrium and observable thermalization
Anzà, F.; Vedral, V.
2017-03-01
A crucial point in statistical mechanics is the definition of the notion of thermal equilibrium, which can be given as the state that maximises the von Neumann entropy, under the validity of some constraints. Arguing that such a notion can never be experimentally probed, in this paper we propose a new notion of thermal equilibrium, focused on observables rather than on the full state of the quantum system. We characterise such notion of thermal equilibrium for an arbitrary observable via the maximisation of its Shannon entropy and we bring to light the thermal properties that it heralds. The relation with Gibbs ensembles is studied and understood. We apply such a notion of equilibrium to a closed quantum system and show that there is always a class of observables which exhibits thermal equilibrium properties and we give a recipe to explicitly construct them. Eventually, an intimate connection with the Eigenstate Thermalisation Hypothesis is brought to light.
Information-theoretic equilibrium and observable thermalization.
Anzà, F; Vedral, V
2017-03-07
A crucial point in statistical mechanics is the definition of the notion of thermal equilibrium, which can be given as the state that maximises the von Neumann entropy, under the validity of some constraints. Arguing that such a notion can never be experimentally probed, in this paper we propose a new notion of thermal equilibrium, focused on observables rather than on the full state of the quantum system. We characterise such notion of thermal equilibrium for an arbitrary observable via the maximisation of its Shannon entropy and we bring to light the thermal properties that it heralds. The relation with Gibbs ensembles is studied and understood. We apply such a notion of equilibrium to a closed quantum system and show that there is always a class of observables which exhibits thermal equilibrium properties and we give a recipe to explicitly construct them. Eventually, an intimate connection with the Eigenstate Thermalisation Hypothesis is brought to light.
Quantum mechanical evolution towards thermal equilibrium.
Linden, Noah; Popescu, Sandu; Short, Anthony J; Winter, Andreas
2009-06-01
The circumstances under which a system reaches thermal equilibrium, and how to derive this from basic dynamical laws, has been a major question from the very beginning of thermodynamics and statistical mechanics. Despite considerable progress, it remains an open problem. Motivated by this issue, we address the more general question of equilibration. We prove, with virtually full generality, that reaching equilibrium is a universal property of quantum systems: almost any subsystem in interaction with a large enough bath will reach an equilibrium state and remain close to it for almost all times. We also prove several general results about other aspects of thermalization besides equilibration, for example, that the equilibrium state does not depend on the detailed microstate of the bath.
Quantum mechanical evolution towards thermal equilibrium
Linden, Noah; Popescu, Sandu; Short, Anthony J.; Winter, Andreas
2008-01-01
The circumstances under which a system reaches thermal equilibrium, and how to derive this from basic dynamical laws, has been a major question from the very beginning of thermodynamics and statistical mechanics. Despite considerable progress, it remains an open problem. Motivated by this issue, we address the more general question of equilibration. We prove, with virtually full generality, that reaching equilibrium is a universal property of quantum systems: Almost any subsystem in interacti...
Relativistic perfect fluids in local thermal equilibrium
Coll, Bartolomé; Sáez, Juan Antonio
2016-01-01
The inverse problem for conservative perfect fluid energy tensors provides a striking result. Namely that, in spite of its name, its historic origin or its usual conceptualization, the notion of {\\em local thermal equilibrium} for a perfect fluid is a {\\em purely hydrodynamic}, not thermodynamic, notion. This means that it may be thought, defined and detected using exclusively hydrodynamic quantities, without reference to temperature or any other thermodynamic concept, either of equilibrium or irreversible: a relativistic perfect fluid evolves in local thermal equilibrium if, and only if, its hydrodynamic variables evolve keeping a certain relation among them. This relation fixes, but only fixes, a precise fraction of the thermodynamics of the fluid, namely that relating the speed of its sound waves to the hydrodynamic variables. All thermodynamic schemes (sets of thermodynamic variables and their mutual relations) compatible with such a relation on the sole hydrodynamic variables are obtained. This hydrodyna...
Local thermal equilibrium for quantum fields on cosmological spacetimes
Energy Technology Data Exchange (ETDEWEB)
Gransee, Michael [MPI Mathematics in the Sciences, Leipzig (Germany); Universitaet Leipzig (Germany); Knospe, Alexander; Verch, Rainer [Universitaet Leipzig (Germany)
2011-07-01
We investigate the consistency of local thermal equilibrium for scalar and Dirac fields on cosmological spacetimes with respect to general covariance and the Hadamard renormalization prescription for the stress-energy tensor. The renormalized stress-energy tensor fulfilling the local thermal equilibrium condition has a thermal part, a dynamical part and a purely geometrical part. The latter contains the renormalization freedom. Since the thermal part differs from the total stress-energy, one finds a temperature dependence on cosmological time which has a stronger singularity in the limit of early cosmological times than in the classical treatment of radiation.
Quantum degenerate exciton-polaritons in thermal equilibrium.
Deng, Hui; Press, David; Götzinger, Stephan; Solomon, Glenn S; Hey, Rudolf; Ploog, Klaus H; Yamamoto, Yoshihisa
2006-10-06
We study the momentum distribution and relaxation dynamics of semiconductor microcavity polaritons by angle-resolved and time-resolved spectroscopy. Above a critical pump level, the thermalization time of polaritons at positive detunings becomes shorter than their lifetime, and the polaritons form a quantum degenerate Bose-Einstein distribution in thermal equilibrium with the lattice.
Convection with local thermal non-equilibrium and microfluidic effects
Straughan, Brian
2015-01-01
This book is one of the first devoted to an account of theories of thermal convection which involve local thermal non-equilibrium effects, including a concentration on microfluidic effects. The text introduces convection with local thermal non-equilibrium effects in extraordinary detail, making it easy for readers newer to the subject area to understand. This book is unique in the fact that it addresses a large number of convection theories and provides many new results which are not available elsewhere. This book will be useful to researchers from engineering, fluid mechanics, and applied mathematics, particularly those interested in microfluidics and porous media.
Quantum energy inequalities from local thermal equilibrium
Energy Technology Data Exchange (ETDEWEB)
Schlemmer, Jan; Verch, Rainer [Inst. f. Theoretische Physik, Universitaet Leipzig, 04009 Leipzig (Germany)
2008-07-01
This talk will be about the relation between a certain notion of local thermality for states of the free scalar field on curved spacetime backgrounds and quantum energy inequalities. For states fulfilling the condition of local thermality we will present two results obtained together with for arbitrary curvature coupling: First a quantum weak energy inequality and second an expression for potential violations of the averaged null energy inequality, which involves only terms with a direct physical interpretation for the states under consideration. Furthermore this expression shows that examples proposed to point out limits to quantum energy inequalities for nonminimally coupled scalar fields are already the worst case for the set of locally thermal states.
Approach to thermal equilibrium of macroscopic quantum systems.
Goldstein, Sheldon; Lebowitz, Joel L; Mastrodonato, Christian; Tumulka, Roderich; Zanghi, Nino
2010-01-01
We consider an isolated macroscopic quantum system. Let H be a microcanonical "energy shell," i.e., a subspace of the system's Hilbert space spanned by the (finitely) many energy eigenstates with energies between E and E+deltaE . The thermal equilibrium macrostate at energy E corresponds to a subspace H(eq) of H such that dim H(eq)/dim H is close to 1. We say that a system with state vector psi is the element of H is in thermal equilibrium if psi is "close" to H(eq). We show that for "typical" Hamiltonians with given eigenvalues, all initial state vectors psi(0) evolve in such a way that psi(t) is in thermal equilibrium for most times t. This result is closely related to von Neumann's quantum ergodic theorem of 1929.
Thermalization and Return to Equilibrium on Finite Quantum Lattice Systems
Farrelly, Terry; Brandão, Fernando G. S. L.; Cramer, Marcus
2017-04-01
Thermal states are the bedrock of statistical physics. Nevertheless, when and how they actually arise in closed quantum systems is not fully understood. We consider this question for systems with local Hamiltonians on finite quantum lattices. In a first step, we show that states with exponentially decaying correlations equilibrate after a quantum quench. Then, we show that the equilibrium state is locally equivalent to a thermal state, provided that the free energy of the equilibrium state is sufficiently small and the thermal state has exponentially decaying correlations. As an application, we look at a related important question: When are thermal states stable against noise? In other words, if we locally disturb a closed quantum system in a thermal state, will it return to thermal equilibrium? We rigorously show that this occurs when the correlations in the thermal state are exponentially decaying. All our results come with finite-size bounds, which are crucial for the growing field of quantum thermodynamics and other physical applications.
Thermal non-equilibrium in heterogeneous media
de Lemos, Marcelo J S
2016-01-01
This book presents, in a self-contained fashion, a series of studies on flow and heat transfer in porous media, in which distinct energy balances are considered for the porous matrix and for the permeating fluid. Detailed mathematical modeling is presented considering both volume and time averaging operators simultaneously applied to the governing equations. System involving combustion in the gaseous phase, moving bed and double-diffusion mechanism are analyzed. Numerical results are presented for each case. In the end, this book contains the description of a tool that might benefit engineers in developing and designing more efficient thermal equipment.
Casimir-Lifshitz force out of thermal equilibrium
Antezza, M.; Pitaevskii, L.P.; Stringari, S.; Svetovoy, Vitaly
We study the Casimir-Lifshitz interaction out of thermal equilibrium, when the interacting objects are at different temperatures. The analysis is focused on the surface-surface, surface-rarefied body, and surface-atom configurations. A systematic investigation of the contributions to the force
Superradiant Phase Transition in a Superconducting Circuit in Thermal Equilibrium.
Bamba, Motoaki; Inomata, Kunihiro; Nakamura, Yasunobu
2016-10-21
We propose a superconducting circuit that shows a superradiant phase transition (SRPT) in thermal equilibrium. The existence of the SRPT is confirmed analytically in the limit of an infinite number of artificial atoms. We also perform a numerical diagonalization of the Hamiltonian with a finite number of atoms and observe an asymptotic behavior approaching the infinite limit as the number of atoms increases. The SRPT can also be interpreted intuitively in a classical analysis.
Equilibrium limit of thermal conduction and boundary scattering in nanostructures.
Haskins, Justin B; Kınacı, Alper; Sevik, Cem; Çağın, Tahir
2014-06-28
Determining the lattice thermal conductivity (κ) of nanostructures is especially challenging in that, aside from the phonon-phonon scattering present in large systems, the scattering of phonons from the system boundary greatly influences heat transport, particularly when system length (L) is less than the average phonon mean free path (MFP). One possible route to modeling κ in these systems is through molecular dynamics (MD) simulations, inherently including both phonon-phonon and phonon-boundary scattering effects in the classical limit. Here, we compare current MD methods for computing κ in nanostructures with both L ⩽ MFP and L ≫ MFP, referred to as mean free path constrained (cMFP) and unconstrained (uMFP), respectively. Using a (10,0) CNT (carbon nanotube) as a benchmark case, we find that while the uMFP limit of κ is well-defined through the use of equilibrium MD and the time-correlation formalism, the standard equilibrium procedure for κ is not appropriate for the treatment of the cMFP limit because of the large influence of boundary scattering. To address this issue, we define an appropriate equilibrium procedure for cMFP systems that, through comparison to high-fidelity non-equilibrium methods, is shown to be the low thermal gradient limit to non-equilibrium results. Further, as a means of predicting κ in systems having L ≫ MFP from cMFP results, we employ an extrapolation procedure based on the phenomenological, boundary scattering inclusive expression of Callaway [Phys. Rev. 113, 1046 (1959)]. Using κ from systems with L ⩽ 3 μm in the extrapolation, we find that the equilibrium uMFP κ of a (10,0) CNT can be predicted within 5%. The equilibrium procedure is then applied to a variety of carbon-based nanostructures, such as graphene flakes (GF), graphene nanoribbons (GNRs), CNTs, and icosahedral fullerenes, to determine the influence of size and environment (suspended versus supported) on κ. Concerning the GF and GNR systems, we find that
Failure of Local Thermal Equilibrium in Quantum Friction
Intravaia, F.; Behunin, R. O.; Henkel, C.; Busch, K.; Dalvit, D. A. R.
2016-09-01
Recent progress in manipulating atomic and condensed matter systems has instigated a surge of interest in nonequilibrium physics, including many-body dynamics of trapped ultracold atoms and ions, near-field radiative heat transfer, and quantum friction. Under most circumstances the complexity of such nonequilibrium systems requires a number of approximations to make theoretical descriptions tractable. In particular, it is often assumed that spatially separated components of a system thermalize with their immediate surroundings, although the global state of the system is out of equilibrium. This powerful assumption reduces the complexity of nonequilibrium systems to the local application of well-founded equilibrium concepts. While this technique appears to be consistent for the description of some phenomena, we show that it fails for quantum friction by underestimating by approximately 80% the magnitude of the drag force. Our results show that the correlations among the components of driven, but steady-state, quantum systems invalidate the assumption of local thermal equilibrium, calling for a critical reexamination of this approach for describing the physics of nonequilibrium systems.
Failure of Local Thermal Equilibrium in Quantum Friction.
Intravaia, F; Behunin, R O; Henkel, C; Busch, K; Dalvit, D A R
2016-09-02
Recent progress in manipulating atomic and condensed matter systems has instigated a surge of interest in nonequilibrium physics, including many-body dynamics of trapped ultracold atoms and ions, near-field radiative heat transfer, and quantum friction. Under most circumstances the complexity of such nonequilibrium systems requires a number of approximations to make theoretical descriptions tractable. In particular, it is often assumed that spatially separated components of a system thermalize with their immediate surroundings, although the global state of the system is out of equilibrium. This powerful assumption reduces the complexity of nonequilibrium systems to the local application of well-founded equilibrium concepts. While this technique appears to be consistent for the description of some phenomena, we show that it fails for quantum friction by underestimating by approximately 80% the magnitude of the drag force. Our results show that the correlations among the components of driven, but steady-state, quantum systems invalidate the assumption of local thermal equilibrium, calling for a critical reexamination of this approach for describing the physics of nonequilibrium systems.
Truncated thermal equilibrium distribution for intense beam propagation
Directory of Open Access Journals (Sweden)
Ronald C. Davidson
2003-02-01
Full Text Available An intense charged particle beam with directed kinetic energy (γ_{b}-1m_{b}c^{2} propagates in the z direction through an applied focusing field with transverse focusing force modeled by F_{foc}=-γ_{b}m_{b}ω_{β⊥}^{2}x_{⊥} in the smooth-focusing approximation. This paper examines properties of the axisymmetric, truncated thermal equilibrium distribution F_{b}(r,p_{⊥}=Aexp(-H_{⊥}/T[over ^]_{⊥b}⊕(H_{⊥}-E_{b}, where A, T[over ^]_{⊥b}, and E_{b} are positive constants, and H_{⊥} is the Hamiltonian for transverse particle motion. The equilibrium profiles for beam number density, n_{b}(r=∫d^{2}pF_{b}(r,p_{⊥}, and transverse temperature, T_{⊥b}(r=[n_{b}(r]^{-1}∫d^{2}p(p_{⊥}^{2}/2γ_{b}m_{b}F_{b}(r,p_{⊥}, are calculated self-consistently including space-charge effects. Several properties of the equilibrium profiles are noteworthy. For example, the beam has a sharp outer edge radius r_{b} with n_{b}(r≥r_{b}=0, where r_{b} depends on the value of E_{b}/T[over ^]_{⊥b}. In addition, unlike the choice of a semi-Gaussian distribution, F_{b}^{SG}=Aexp(-p_{⊥}^{2}/2γ_{b}m_{b}T[over ^]_{⊥b}⊕(r-r_{b}, the truncated thermal equilibrium distribution F_{b}(r,p depends on (r,p only through the single-particle constant of the motion H_{⊥} and is therefore a true steady-state solution (∂/∂t=0 of the nonlinear Vlasov-Maxwell equations.
Thermal equilibrium and statistical thermometers in special relativity.
Cubero, David; Casado-Pascual, Jesús; Dunkel, Jörn; Talkner, Peter; Hänggi, Peter
2007-10-26
There is an intense debate in the recent literature about the correct generalization of Maxwell's velocity distribution in special relativity. The most frequently discussed candidate distributions include the Jüttner function as well as modifications thereof. Here we report results from fully relativistic one-dimensional molecular dynamics simulations that resolve the ambiguity. The numerical evidence unequivocally favors the Jüttner distribution. Moreover, our simulations illustrate that the concept of "thermal equilibrium" extends naturally to special relativity only if a many-particle system is spatially confined. They make evident that "temperature" can be statistically defined and measured in an observer frame independent way.
A theoretical analysis of local thermal equilibrium in fibrous materials
Directory of Open Access Journals (Sweden)
Tian Mingwei
2015-01-01
Full Text Available The internal heat exchange between each phase and the Local Thermal Equilibrium (LTE scenarios in multi-phase fibrous materials are considered in this paper. Based on the two-phase heat transfer model, a criterion is proposed to evaluate the LTE condition, using derived characteristic parameters. Furthermore, the LTE situations in isothermal/adiabatic boundary cases with two different heat sources (constant heat flux and constant temperature are assessed as special transient cases to test the proposed criterion system, and the influence of such different cases on their LTE status are elucidated. In addition, it is demonstrated that even the convective boundary problems can be generally estimated using this approach. Finally, effects on LTE of the material properties (thermal conductivity, volumetric heat capacity of each phase, sample porosity and pore hydraulic radius are investigated, illustrated and discussed in our study.
Thermal Non-equilibrium Consistent with Widespread Cooling
Winebarger, A.; Lionello, R.; Mikic, Z.; Linker, J.; Mok, Y.
2014-01-01
Time correlation analysis has been used to show widespread cooling in the solar corona; this cooling has been interpreted as a result of impulsive (nanoflare) heating. In this work, we investigate wide-spread cooling using a 3D model for a solar active region which has been heated with highly stratified heating. This type of heating drives thermal non-equilibrium solutions, meaning that though the heating is effectively steady, the density and temperature in the solution are not. We simulate the expected observations in narrowband EUV images and apply the time correlation analysis. We find that the results of this analysis are qualitatively similar to the observed data. We discuss additional diagnostics that may be applied to differentiate between these two heating scenarios.
Influence of Thermal Anisotropy on Equilibrium Stellarator Beta Limits
Bechtel, T. A.; Hegna, C. C.; Sovinec, C. R.
2017-10-01
The effect of anisotropic heat conduction on the upper beta limit of stellarator plasmas is studied using the nonlinear, extended MHD code NIMROD. The configuration under investigation is an l=2, M=10 torsatron with vacuum rotational transform near unity. Finite-beta plasmas are created using a volumetric heating source and temperature dependent resistivity; modeled with 22 stellarator symmetric (integer multiples of M) toroidal modes. Extended MHD simulations are then performed to generate steady state solutions that represent 3D equilibria. With increased heating, Shafranov shifts occur, and the associated break up of edge magnetic surfaces limits the achievable beta. Due to the presence of finite parallel heat conduction, pressure profiles can exist in regions of magnetic stochasticity. Here, we present results of independently varying the parallel and perpendicular thermal anisotropy. In particular, simulations show that the attained stored energy is a function of the magnitude of parallel and perpendicular thermal conduction for a given heat source, indicating that equilibrium beta limits are sensitive to anisotropic transport properties. Preliminary studies of MHD stability with non-stellarator symmetric modes, near the highest achievable beta, are also presented. Research supported by US DOE under Grant No. DE-FG02-99ER54546.
Seasonal thermal energy storage in shallow geothermal systems: thermal equilibrium stage
Directory of Open Access Journals (Sweden)
Nowamooz Hossein
2016-01-01
Full Text Available This paper is dedicated to the study of seasonal heat storage in shallow geothermal installations in unsaturated soils for which hydrothermal properties such as degree of saturation and thermal conductivity vary with time throughout the profile. In the model, a semi-analytical model which estimates time-spatial thermal conductivity is coupled with a 2D cylindrical heat transfer modeling using finite difference method. The variation of temperature was obtained after 3 heating and cooling cycles for the different types of loads with maximum thermal load of qmax = 15 W.m−1 with variable angular frequency (8 months of heating and 4 months of cooling.and constant angular frequency (6 months of heating and 6 months of cooling to estimate the necessary number of cycles to reach the thermal equilibrium stage. The results show that we approach a thermal equilibrium stage where the same variation of temperature can be observed in soils after several heating and cooling cycles. Based on these simulations, the necessary number of cycles can be related to the total applied energy on the system and the minimum number of cycles is for a system with the total applied energy of 1.9qmax.
Directory of Open Access Journals (Sweden)
Jianwei Dong
2005-11-01
Full Text Available We show the existence of solutions for mixed boundary-value problems that model quantum hydrodynamics in thermal equilibrium. Also we find the semi-classical limit of the solutions.
Out-of-equilibrium Correlated Systems : Bipartite Entanglement as a Probe of Thermalization
Poilblanc, Didier
2010-01-01
Thermalization play a central role in out-of-equilibrium physics of ultracold atoms or electronic transport phenomena. On the other hand, entanglement concepts have proven to be extremely useful to investigate quantum phases of matter. Here, it is argued that **bipartite** entanglement measures provide key information on out-of-equilibrium states and might therefore offer stringent thermalization criteria. This is illustrated by considering a global quench in an (extended) XXZ spin-1/2 chain ...
Non-equilibrium thermal entanglement for a three spin chain
Pumulo, N.; Sinayskiy, I.; Petruccione, F.
2011-08-01
The dynamics of a chain of three spins coupled at both ends to separate bosonic baths at different temperatures is studied. An exact analytical solution of the master equation in the Born-Markov approximation for the reduced density matrix of the chain is constructed. It is shown that for long times the reduced density matrix converges to the non-equilibrium steady state. Dynamical and steady state properties of the concurrence between the first and the last spin are studied.
Energy Technology Data Exchange (ETDEWEB)
Park, Ik Kyu; Cho, Heong Kyu; Kim, Jong Tae; Yoon, Han Young; Jeong, Jae Jun
2007-12-15
A computational model for transient, 3 dimensional 2 phase flows was developed by using 'unstructured-FVM-based, non-staggered, semi-implicit numerical scheme' considering the thermally non-equilibrium droplets. The assumption of the thermally equilibrium between liquid and droplets of previous studies was not used any more, and three energy conservation equations for vapor, liquid, liquid droplets were set up. Thus, 9 conservation equations for mass, momentum, and energy were established to simulate 2 phase flows. In this report, the governing equations and a semi-implicit numerical sheme for a transient 1 dimensional 2 phase flows was described considering the thermally non-equilibrium between liquid and liquid droplets. The comparison with the previous model considering the thermally non-equilibrium between liquid and liquid droplets was also reported.
Topological order and thermal equilibrium in polariton condensates
Caputo, Davide; Ballarini, Dario; Dagvadorj, Galbadrakh; Sánchez Muñoz, Carlos; de Giorgi, Milena; Dominici, Lorenzo; West, Kenneth; Pfeiffer, Loren N.; Gigli, Giuseppe; Laussy, Fabrice P.; Szymańska, Marzena H.; Sanvitto, Daniele
2018-02-01
The Berezinskii-Kosterlitz-Thouless phase transition from a disordered to a quasi-ordered state, mediated by the proliferation of topological defects in two dimensions, governs seemingly remote physical systems ranging from liquid helium, ultracold atoms and superconducting thin films to ensembles of spins. Here we observe such a transition in a short-lived gas of exciton-polaritons, bosonic light-matter particles in semiconductor microcavities. The observed quasi-ordered phase, characteristic for an equilibrium two-dimensional bosonic gas, with a decay of coherence in both spatial and temporal domains with the same algebraic exponent, is reproduced with numerical solutions of stochastic dynamics, proving that the mechanism of pairing of the topological defects (vortices) is responsible for the transition to the algebraic order. This is made possible thanks to long polariton lifetimes in high-quality samples and in a reservoir-free region. Our results show that the joint measurement of coherence both in space and time is required to characterize driven-dissipative phase transitions and enable the investigation of topological ordering in open systems.
Very Long Time Scales and Black Hole Thermal Equilibrium
Barbón, José L F
2003-01-01
We estimate the very long time behaviour of correlation functions in the presence of eternal black holes. It was pointed out by Maldacena (hep-th 0106112) that their vanishing would lead to a violation of a unitarity-based bound. The value of the bound is obtained from the holographic dual field theory. The correlators indeed vanish in a semiclassical bulk approximation. We trace the origin of their vanishing to the continuum energy spectrum in the presence of event horizons. We elaborate on the two very long time scales involved: one associated with the black hole and the other with a thermal gas in the vacuum background. We find that assigning a role to the thermal gas background, as suggested in the above work, does restore the compliance with a time-averaged unitarity bound. We also find that additional configurations are needed to explain the expected time dependence of the Poincar\\'e recurrences and their magnitude. It is suggested that, while a semiclassical black hole does reproduce faithfully ``coars...
Quantum fields far from equilibrium: instabilities and non-thermal fixed points
Energy Technology Data Exchange (ETDEWEB)
Berges, Juergen; Pruschke, Jens [Institute for Nuclear Physics, Darmstadt University of Technology (Germany); Rothkopf, Alexander [Department of Physics, University of Tokyo (Japan)
2009-07-01
Quantum field theoretical studies of bosonic systems far from equilibrium show a slow evolution after an instability took place. This prevents a fast thermalization. Scattering between bosons and fermions might lead to an acceleration of the evolution towards equilibrium. We investigate the interaction of fermionic and bosonic quantum fields out of equilibrium in a Yukawa type model. A spinodal/tachyonic instability in the bosonic sector induces an unstable evolution in the fermionic sector too. In a certain parameter regime the influence of the fermionic fields on the boson sector is negligible. Instead of an acceleration of the evolution the emergence of non-thermal fixed points is observed. The results have important consequences, for example in reheating the universe after inflation.
Thermal Equilibrium of a Macroscopic Quantum System in a Pure State.
Goldstein, Sheldon; Huse, David A; Lebowitz, Joel L; Tumulka, Roderich
2015-09-04
We consider the notion of thermal equilibrium for an individual closed macroscopic quantum system in a pure state, i.e., described by a wave function. The macroscopic properties in thermal equilibrium of such a system, determined by its wave function, must be the same as those obtained from thermodynamics, e.g., spatial uniformity of temperature and chemical potential. When this is true we say that the system is in macroscopic thermal equilibrium (MATE). Such a system may, however, not be in microscopic thermal equilibrium (MITE). The latter requires that the reduced density matrices of small subsystems be close to those obtained from the microcanonical, equivalently the canonical, ensemble for the whole system. The distinction between MITE and MATE is particularly relevant for systems with many-body localization for which the energy eigenfuctions fail to be in MITE while necessarily most of them, but not all, are in MATE. We note, however, that for generic macroscopic systems, including those with MBL, most wave functions in an energy shell are in both MATE and MITE. For a classical macroscopic system, MATE holds for most phase points on the energy surface, but MITE fails to hold for any phase point.
Resource theory of quantum states out of thermal equilibrium.
Brandão, Fernando G S L; Horodecki, Michał; Oppenheim, Jonathan; Renes, Joseph M; Spekkens, Robert W
2013-12-20
The ideas of thermodynamics have proved fruitful in the setting of quantum information theory, in particular the notion that when the allowed transformations of a system are restricted, certain states of the system become useful resources with which one can prepare previously inaccessible states. The theory of entanglement is perhaps the best-known and most well-understood resource theory in this sense. Here, we return to the basic questions of thermodynamics using the formalism of resource theories developed in quantum information theory and show that the free energy of thermodynamics emerges naturally from the resource theory of energy-preserving transformations. Specifically, the free energy quantifies the amount of useful work which can be extracted from asymptotically many copies of a quantum system when using only reversible energy-preserving transformations and a thermal bath at fixed temperature. The free energy also quantifies the rate at which resource states can be reversibly interconverted asymptotically, provided that a sublinear amount of coherent superposition over energy levels is available, a situation analogous to the sublinear amount of classical communication required for entanglement dilution.
Suezawa, Masashi; Iijima, Yoshiaki; Yonenaga, Ichiro
2017-04-01
Thermal equilibrium point defects (TEPD) are generated as Frenkel pairs or Schottky defects. It is still controversial whether the TEPD in Si are Frenkel or Schottky, which is recalled with the recent experimental finding of their formation energies. After reviews of the Frenkel pair and Schottky defects models, the latter was concluded to be the case since their formation energies determined experimentally are different from each other. This result was applied to calculate the critical ratio of the growth velocity/temperature gradient of the Voronkov model on the grown-in point defects in Si and obtained a different result.
Steady State Transportation Cooling in Porous Media Under Local, Non-Thermal Equilibrium Fluid Flow
Rodriquez, Alvaro Che
2002-01-01
An analytical solution to the steady-state fluid temperature for 1-D (one dimensional) transpiration cooling has been derived. Transpiration cooling has potential use in the aerospace industry for protection against high heating environments for re-entry vehicles. Literature for analytical treatments of transpiration cooling has been largely confined to the assumption of thermal equilibrium between the porous matrix and fluid. In the present analysis, the fundamental fluid and matrix equations are coupled through a volumetric heat transfer coefficient and investigated in non-thermal equilibrium. The effects of varying the thermal conductivity of the solid matrix and the heat transfer coefficient are investigated. The results are also compared to existing experimental data.
Dynamics of a mechanical system with multiple degrees of freedom out of thermal equilibrium
Feigel, A.
2017-05-01
Out of thermal equilibrium, an environment imposes effective mechanical forces on nanofabricated devices as well as on microscopic chemical or biological systems. Here we address the question of how to calculate these forces together with the response of the system from first principles. We show that an ideal gaslike environment, even near thermal equilibrium, can enforce a specific steady state on the system by creating effective potentials in otherwise homogeneous space. An example of stable and unstable rectifications of thermal fluctuations is presented using a modified Feynman-Smoluchowski ratchet with two degrees of freedom. Moreover, the stability of a steady configuration depends on its chiral symmetry. The transition rate probabilities and the corresponding kinetic equations are derived for a complex mechanical system with arbitrary degrees of freedom. This work, therefore, extends the applicability of mechanical systems as a toy model playground of statistical physics for active and living matter with multiple degrees of freedom.
Romanova, M. S.; Rydalevskaya, M. A.
2017-05-01
Perfect gas mixtures that result from thermal ionization of spatially and chemically homogeneous monoatomic gases are considered. Equilibrium concentrations of the components of such mixtures are determined using integration over the momentum space and summation with respect to energy levels of the distribution functions that maximize the entropy of system under condition for constancy of the total number of nuclei and electrons. It is demonstrated that such a method allows significant simplification of the calculation of the equilibrium composition for ionized mixtures at different temperatures and makes it possible to study the degree of ionization of gas versus gas density and number in the periodic table of elements.
Thermalization and out-of-equilibrium dynamics in open quantum many-body systems
Energy Technology Data Exchange (ETDEWEB)
Buchhold, Michael
2015-06-30
In this thesis, we address both the question whether or not a quantum system driven away from equilibrium is able to relax to a thermal state, which fulfills detailed balance, and if one can identify universal behavior in the non-equilibrium relaxation dynamics. As a first realization of driven quantum systems out of equilibrium, we investigate a system of Ising spins, interacting with the quantized radiation field in an optical cavity. For multiple cavity modes, this system forms a highly entangled and frustrated state with infinite correlation times, known as a quantum spin glass. In the thermalized system, the features of the spin glass are mirrored onto the photon degrees of freedom, leading to an emergent photon glass phase. Exploiting the inherent photon loss of the cavity, we make predictions of possible measurements on the escaping photons, which contain detailed information of the state inside the cavity and allow for a precise, non-destructive measurement of the glass state. As a further set of non-equilibrium systems, we consider one-dimensional quantum fluids driven out of equilibrium, whose universal low energy theory is formed by the so-called Luttinger Liquid description. In this thesis, we derive for the first time a kinetic equation for interacting Luttinger Liquids, which describes the time evolution of the excitation densities for arbitrary initial states. The resonant character of the interaction makes a straightforward derivation of the kinetic equation, using Fermis golden rule, impossible and we have to develop non-perturbative techniques in the Keldysh framework. We derive a closed expression for the time evolution of the excitation densities in terms of self-energies and vertex corrections. Close to equilibrium, the kinetic equation describes the exponential decay of excitations, with a decay rate σ{sup R}=ImΣ{sup R}, determined by the self-energy at equilibrium. However, for long times τ, it also reveals the presence of dynamical slow
Fluctuational electrodynamics for nonlinear materials in and out of thermal equilibrium
Soo, Heino; Krüger, Matthias
2018-01-01
We develop fluctuational electrodynamics for media with nonlinear optical response in and out of thermal equilibrium. Starting from the stochastic nonlinear Helmholtz equation and using the fluctuation dissipation theorem, we obtain perturbatively a deterministic nonlinear Helmholtz equation for the average field, the physical linear response, as well as the fluctuations and Rytov currents. We show that the effects of nonlinear optics, in or out of thermal equilibrium, can be taken into account with an effective dielectric function. We discuss the heat radiation of a planar, nonlinear surface, showing that Kirchhoff's law must be applied carefully. We find that the spectral emissivity of a nonlinear nanosphere can in principle be negative, implying the possibility of heat-flow reversal for specific frequencies.
A mixture theory model for a particulate suspension flow in a thermal non-equilibrium context
Energy Technology Data Exchange (ETDEWEB)
Martins-Costa, M.L. [Universidade Federal Fluminense, Niteroi, RJ (Brazil). Lab. de Mecanica Teorica e Aplicada; Gama, R.M. Saldanha da [Laboratorio Nacional de Computacao Cientifica (LNCC), Rio de Janeiro, RJ (Brazil)
1998-07-01
The present work proposes a local model for a particulate suspension flow employing the continuum theory of mixture - specially developed to deal with multiphase phenomena. The flow of a Newtonian fluid with small solid particles in suspension - in which thermal non-equilibrium is allowed - is described as a mixture of solid and fluid constituents coexisting superposed. Thermo-dynamically consistent constitutive hypotheses are derived in order an adequate model for suspensions. (author)
Quantum Correlations of Two Qubits Coupled in a Thermal Equilibrium Environment
Zhang, Aiping; Li, Fuli
2012-10-01
Quantum correlations (including entanglement and quantum discord) of two qubits symmetrically coupled to the surrounding XY spin chain in the presence of a transverse magnetic field are studied. We investigate the dynamic evolution of the quantum correlations of the two qubits when the surrounding spin chain is in the thermal equilibrium state. Numerical results show that the thermal effects can accelerate the decay process of the quantum correlations if the initial state of the composite system is not in the decoherence free space. When the temperature is high enough, the quantum phase transition driven by the external magnetic field completely disappear.
Local Thermal Equilibrium in Quantum Field Theory on Flat and Curved Spacetimes
Solveen, Christoph
2010-01-01
The existence of local thermal equilibrium (LTE) states for quantum field theory in the sense of Buchholz, Ojima and Roos is discussed in a model-independent setting. It is shown that for spaces of finitely many independent thermal observables there always exist states which are in LTE in any compact region of Minkowski spacetime. Furthermore, LTE states in curved spacetime are discussed and it is observed that the original definition of LTE on curved backgrounds given by Buchholz and Schlemmer needs to be modified. Under an assumption related to certain unboundedness properties of the pointlike thermal observables, existence of states which are in LTE at a given point in curved spacetime is established. The assumption is discussed for the sets of thermal observables for the free scalar field considered by Schlemmer and Verch.
Local thermal equilibrium in quantum field theory on flat and curved spacetimes
Energy Technology Data Exchange (ETDEWEB)
Solveen, Christoph, E-mail: Christoph.Solveen@theorie.physik.uni-goettingen.d [Institut fuer Theoretische Physik, Universitaet Goettingen, Friedrich-Hund-Platz 1, 37077 Goettingen (Germany)
2010-12-07
The existence of local thermal equilibrium (LTE) states for quantum field theory in the sense of Buchholz, Ojima and Roos is discussed in a model-independent setting. It is shown that for spaces of finitely many independent thermal observables there always exist states which are in LTE in any compact region of Minkowski spacetime. Furthermore, LTE states in curved spacetime are discussed and it is observed that the original definition of LTE on curved backgrounds given by Buchholz and Schlemmer needs to be modified. Under an assumption related to certain unboundedness properties of the pointlike thermal observables, existence of states which are in LTE at a given point in curved spacetime is established. The assumption is discussed for the sets of thermal observables for the free scalar field considered by Schlemmer and Verch.
Haskins, Justin; Kinaci, Alper; Sevik, Cem; Cagin, Tahir
2012-01-01
It is widely known that graphene and many of its derivative nanostructures have exceedingly high reported thermal conductivities (up to 4000 W/mK at 300 K). Such attractive thermal properties beg the use of these structures in practical devices; however, to implement these materials while preserving transport quality, the influence of structure on thermal conductivity should be thoroughly understood. For graphene nanostructures, having average phonon mean free paths on the order of one micron, a primary concern is how size influences the potential for heat conduction. To investigate this, we employ a novel technique to evaluate the lattice thermal conductivity from the Green-Kubo relations and equilibrium molecular dynamics in systems where phonon-boundary scattering dominates heat flow. Specifically, the thermal conductivities of graphene nanoribbons and carbon nanotubes are calculated in sizes up to 3 microns, and the relative influence of boundary scattering on thermal transport is determined to be dominant at sizes less than 1 micron, after which the thermal transport largely depends on the quality of the nanostructure interface. The method is also extended to carbon nanostructures (fullerenes) where phonon confinement, as opposed to boundary scattering, dominates, and general trends related to the influence of curvature on thermal transport in these materials are discussed.
Out-of-equilibrium correlated systems: Bipartite entanglement as a probe of thermalization
Poilblanc, Didier
2011-07-01
Thermalization plays a central role in out-of-equilibrium physics of ultracold atoms or electronic transport phenomena. On the other hand, entanglement concepts have proven to be extremely useful to investigate quantum phases of matter. Here, it is argued that bipartite entanglement measures provide key information on out-of-equilibrium states and might therefore offer stringent thermalization criteria. This is illustrated by considering a global quench in an (extended) XXZ spin-1/2 chain across its (zero-temperature) quantum critical point. A nonlocal bipartition of the chain preserving translation symmetry is proposed. The time evolution after the quench of the reduced density matrix of the half-system is computed and its associated (time-dependent) entanglement spectrum is analyzed. Generically, the corresponding entanglement entropy quickly reaches a “plateau” after a short transient regime. However, in the case of the integrable XXZ chain, the low-energy entanglement spectrum still reveals strong time fluctuations. In addition, its infinite-time average shows strong deviations from the spectrum of a Boltzmann thermal density matrix. In contrast, when the integrability of the model is broken (by small next-nearest-neighbor couplings), the entanglement spectra of the time average and thermal density matrices become remarkably similar.
Modeling two-phase flow in a micro-model with local thermal non-equilibrium on the Darcy scale
Nuske, Philipp; Ronneberger, Olaf; Karadimitriou, Nikolaos K.; Helmig, Rainer; Hassanizadeh, S. Majid
2015-01-01
Loosening local equilibrium assumptions in two-phase flow in porous media gives rise to new, unknown variables. More specifically, when loosening the local thermal equilibrium assumption, one has to describe the heat transfer between multiple phases, present at the same mathematical point. In this
National Aeronautics and Space Administration — This SBIR project proposes to develop a gas-kinetic Navier-Stokes solver for simulation of hypersonic flows in thermal and chemical non-equilibrium. The...
Thermal equilibrium of a Brownian particle in a fluctuating fluid: a numerical study
Liu, Yi; Nie, Deming
2017-07-01
In this work the fluctuating lattice Boltzmann method was adopted to simulate the motion of a Brownian particle in a fluid in two dimensions. The temperatures characterizing the translation motion and rotational motion of the particle were calculated to evaluate the thermal equilibrium between the particle and the fluid. Furthermore, the effects of the fluid temperature and viscosity on the fluid pressure fluctuation were investigated. The linear relationships were observed in a log-log coordinate. Besides, the slopes of the linear relation were obtained, which keeps constant for all cases studied.
Isolated many-body quantum systems far from equilibrium: Relaxation process and thermalization
Energy Technology Data Exchange (ETDEWEB)
Torres-Herrera, E. J.; Santos, Lea F. [Physics Department, Yeshiva University, New York, New York 10016 (United States)
2014-10-15
We present an overview of our recent numerical and analytical results on the dynamics of isolated interacting quantum systems that are taken far from equilibrium by an abrupt perturbation. The studies are carried out on one-dimensional systems of spins-1/2, which are paradigmatic models of many-body quantum systems. Our results show the role of the interplay between the initial state and the post-perturbation Hamiltonian in the relaxation process, the size of the fluctuations after equilibration, and the viability of thermalization.
Tunable electron counting statistics in a quantum dot at thermal equilibrium
Zhang, X. C.; Mazzeo, G.; Brataas, A.; Xiao, M.; Yablonovitch, E.; Jiang, H. W.
2009-07-01
Tunneling of individual electrons into and out of a GaAs quantum dot is measured in real time by an adjacent charge detector. By controllably increasing the tunneling rate at thermal equilibrium, the full-counting statistics of these tunneling events shows a sub- to super-Poissonian transition, accompanied by a sign reversal of its third statistical moment. These anomalies are believed to be caused by electron tunneling through the singlet-triplet states of an elongated double dot, confirmed by a self-consistent Poisson-Schrödinger wave-function calculation.
Lu, Jianfeng; Zhou, Zhennan
2017-04-21
In this work, a novel ring polymer representation for a multi-level quantum system is proposed for thermal average calculations. The proposed representation keeps the discreteness of the electronic states: besides position and momentum, each bead in the ring polymer is also characterized by a surface index indicating the electronic energy surface. A path integral molecular dynamics with surface hopping (PIMD-SH) dynamics is also developed to sample the equilibrium distribution of the ring polymer configurational space. The PIMD-SH sampling method is validated theoretically and by numerical examples.
Pelissetto, Andrea; Vicari, Ettore
2017-01-20
We study the off-equilibrium behavior of systems with short-range interactions, slowly driven across a thermal first-order transition, where the equilibrium dynamics is exponentially slow. We consider a dynamics that starts in the high-T phase at time t=t_{i}0 in the low-T phase, with a time-dependent temperature T(t)/T_{c}≈1-t/t_{s}, where t_{s} is the protocol time scale. A general off-equilibrium scaling (OS) behavior emerges in the limit of large t_{s}. We check it at the first-order transition of the two-dimensional q-state Potts model with q=20 and 10. The numerical results show evidence of a dynamic transition, where the OS functions show a spinodal-like singularity. Therefore, the general mean-field picture valid for systems with long-range interactions is qualitatively recovered, provided the time dependence is appropriately (logarithmically) rescaled.
Relative dispersion and quantum thermal equilibrium in de Broglie-Bohm mechanics
Energy Technology Data Exchange (ETDEWEB)
Bennett, Andrew F, E-mail: bennett@coas.oregonstate.ed [College of Oceanic and Atmospheric Sciences, Oregon State University, Corvallis, OR 97331-5503 (United States)
2010-05-14
Numerical computations (Valentini and Westman 2005 Proc. R. Soc. A 461 253-72) demonstrate that an initially arbitrary particle density, stirred by the field of de Broglie velocity associated with the Schroedinger wavefunction for a sum of energy eigenstates, relaxes to the quantum thermal equilibrium that is the Born probability density, provided the particle density is coarse grained. The results are explained here by a Lagrangian or trajectory analysis, in terms of the relative dispersion of passive particles in a turbulent fluid. The analysis assumes that the turbulence statistics are stationary and isotropic, although these assumptions may be weakened. The relaxation to equilibrium is not reversible, owing to the coarse graining of the particle density and to the statistical inevitability of particle separation. There is no effective stirring toward equilibrium in very simple quantum systems such as a Gaussian wave packet or an energy eigenstate. However, it is argued that relaxation takes place during the emission of the packet or the establishment of the eigenstate, owing to stirring by the transients in the wavefunction for the entire system. The Lagrangian analysis is readily extended to nonrelativistic many-particle systems and to relativistic single-particle systems.
Majhi, Abhishek
2013-01-01
Considering the total number of the topological defects on the horizon, $N$, as an independent quantum hair, the grand canonical ensemble is studied considering Gaussian thermal fluctuations about equilibrium configurations. The finiteness conditions of the partition function lead to a stability criterion for the horizon which has an added logarithmic correction to an earlier result, as an effect of the topological defects on the horizon. Since a horizon at stable thermal equilibrium has a fixed area, additionally the chemical potential corresponding to $N$ must vanish for the horizon to reach a topological equilibrium at the quantum level. This leads to a further prediction about the energy-information relation for black holes at equilibrium from a pure quantum perspective.
A porous flow approach to model thermal non-equilibrium applicable to melt migration
Schmeling, Harro; Marquart, Gabriele; Grebe, Michael
2018-01-01
We develop an approach for heat exchange between a fluid and a solid phase of a porous medium where the temperatures of the fluid and matrix are not in thermal equilibrium. The formulation considers moving of the fluid within a resting or deforming porous matrix in an Eulerian coordinate system. The approach can be applied, for example, to partially molten systems or to brine transport in porous rocks. We start from an existing theory for heat exchange where the energy conservation equations for the fluid and the solid phases are separated and coupled by a heat exchange term. This term is extended to account for the full history of heat exchange. It depends on the microscopic geometry of the fluid phase. For the case of solid containing hot, fluid-filled channels, we derive an expression based on a time-dependent Fourier approach for periodic half-waves. On the macroscopic scale, the temporal evolution of the heat exchange leads to a convolution integral along the flow path of the solid, which simplifies considerably in case of a resting matrix. The evolution of the temperature in both phases with time is derived by inserting the heat exchange term into the energy equations. We explore the effects of thermal non-equilibrium between fluid and solid by considering simple cases with sudden temperature differences between fluid and solid as initial or boundary conditions, and by varying the fluid velocity with respect to the resting porous solid. Our results agree well with an analytical solution for non-moving fluid and solid. The temperature difference between solid and fluid depends on the Peclet number based on the Darcy velocity. For Peclet numbers larger than 1, the temperature difference after one diffusion time reaches 5 per cent of \\tilde{T} or more (\\tilde{T} is a scaling temperature, e.g. the initial temperature difference). Thus, our results imply that thermal non-equilibrium can play an important role for melt migration through partially molten systems
Schenkelberger, Marc; Mai, Timo; Ott, Albrecht
2016-01-01
The specificity of molecular recognition is important to molecular self-organization. A prominent example is the biological cell where, within a highly crowded molecular environment, a myriad of different molecular receptor pairs recognize their binding partner with astonishing accuracy. In thermal equilibrium it is usually admitted that the affinity of recognizer pairs only depends on the nature of the two binding molecules. Accordingly, Boltzmann factors of binding energy differences relate the molecular affinities among different target molecules that compete for the same probe. Here, we consider the molecular recognition of short DNA oligonucleotide single strands. We show that a better matching oligonucleotide strand can prevail against a disproportionally more concentrated competitor that exhibits reduced affinity due to a mismatch. The magnitude of deviation from the simple picture above may reach several orders of magnitude. In our experiments the effective molecular affinity of a given strand remains...
Thermal-hydraulic analysis of the HL-2M divertor using an homogeneous equilibrium model
Lu, Yong; Cai, Lijun; Liu, Yuxiang; Liu, Jian; Yuan, Yinglong; Zheng, Guoyao; Liu, Dequan
2017-09-01
The heat flux of the HL-2M divertor would reach 10 MW m-2 or more at the local area when the device operates at high parameters. Subcooled boiling could occur at high thermal load, which would be simulated based on the homogeneous equilibrium model. The results show that the current design of the HL-2M divertor could withstand the local heat flux 10 MW m-2 at a plasma pulse duration of 5 s, inlet coolant pressure of 1.5 MPa and flow velocity of 4 m s-1. The pulse duration that the HL-2M divertor could withstand is closely related to the coolant velocity. In addition, at the time of 2 min after plasma discharge, the flow velocity decreased from 4 m s-1 to 1 m s-1, and the divertor could also be cooled to the initial temperature before the next plasma discharge commences.
Effect of Local Thermal Equilibrium Misbalance on Long-wavelength Slow Magnetoacoustic Waves
Nakariakov, V. M.; Afanasyev, A. N.; Kumar, S.; Moon, Y.-J.
2017-11-01
Evolution of slow magnetoacoustic waves guided by a cylindrical magnetic flux tube that represents a coronal loop or plume, is modeled accounting for the effects of finite gas pressure, weak nonlinearity, dissipation by thermal conduction and viscosity, and the misbalance between the cooling by optically thin radiation and unspecified heating of the plasma. An evolutionary equation of the Burgers–Malthus type is derived. It is shown that the cooling/heating misbalance, determined by the derivatives of the combined radiative cooling and heating function, with respect to the density, temperature, and magnetic field at the thermal equilibrium affect the wave rather strongly. This effect may either cause additional damping, or counteract it, or lead to the gradual amplification of the wave. In the latter case, the coronal plasma acts as an active medium for the slow magnetoacoustic waves. The effect of the cooling/heating misbalance could be important for coronal slow waves, and could be responsible for certain discrepancies between theoretical results and observations, in particular, the increased or decreased damping lengths and times, detection of the waves at certain heights only, and excitation of compressive oscillations. The results obtained open up a possibility for the diagnostics of the coronal heating function by slow magnetoacoustic waves.
Pb–Te–O phase equilibrium diagram and the lead telluride thermal oxidation
Energy Technology Data Exchange (ETDEWEB)
Berchenko, Nicolas, E-mail: nberchen@univ.rzeszow.pl [Centre of Microelectronics and Nanotechnology, Rzeszow University, Rejtana 16A, Rzeszow 35-959 Poland (Poland); Fadeev, Sergey, E-mail: savchyn.lviv@mail.ru [Lviv Ivan Franko National University, Dragomanov st., 50, Lviv 79005 (Ukraine); Savchyn, Volodymyr, E-mail: fadeyev.serzh@ukr.net [Lviv Polytechnic State University, Bandera st., 12, Lviv 79646 (Ukraine); Kurbanov, Kurban, E-mail: baron_02@mail.ru [Kremenchuk Flight College of National Aviation University, 17/6 Peremogy Street, Kremenchuk, Poltava region 39600 (Ukraine); Trzyna, Malgorzata, E-mail: malgorzata.trzyna@gmail.com [Centre of Microelectronics and Nanotechnology, Rzeszow University, Rejtana 16A, Rzeszow 35-959 Poland (Poland); Cebulski, Jozef, E-mail: cebulski@univ.rzeszow.pl [Center for Innovation and Transfer of Natural Sciences and Engineering Knowledge, Rzeszow University, Rejtana 16A, Rzeszow 35-959 Poland (Poland)
2014-03-01
Highlights: • Pb–Te–O diagram can correctly predict oxidation products in a wide range of temperatures. • Account for temperature change of Gibbs energies is necessary for correct evaluation of oxidation. • The main product of PbTe oxidation at temperatures < 673 K is PbTeO{sub 3}. • TOF SIMS detects the presence of ternary oxides at PbTe surface at 293 K. • Products of PbTe oxidation are significantly changed at temperatures above 673 K. - Abstract: To clarify the behavior of thermally oxidized PbTe the phase equilibrium diagram was calculated taking into account the change of the standard Gibbs energies of formation with the temperature up to 873 K. The X-ray diffractometry (XRD) studies of thermally oxidized PbTe are, summarized. In good agreement with XRD studies the Pb–Te–O diagram predicts the formation of the lead tellurite PbTeO{sub 3} at the relatively low temperatures (<673 K). At higher temperatures (>673 K) it predicts the formation of other ternary PbTe oxides (Pb{sub 3}TeO{sub 5}, Pb{sub 5}TeO{sub 7}, and Pb{sub 2}TeO{sub 4}) detected in PbTe sintered material at high-temperature oxidation. This must be considered when choosing a method of preparing the nanostructured PbTe composites and when analyzing their properties. This should be considered when choosing processing techniques structured material.
Diffusion Mechanisms and Lattice Locations of Thermal-Equilibrium Defects in Si-Ge Alloys
Lyutovich, K; Touboltsev, V; Laitinen, P O; Strohm, A
2002-01-01
It is generally accepted that Ge and Si differ considerably with respect to intrinsic-point-defect-mediated diffusion. In Ge, the native point defects dominating under thermal-equilibium conditions at all solid-state temperatures accessible in diffusion experiments are vacancies, and therefore Ge self-diffusion is vacancy-controlled. In Si, by contrast, self-interstitials and vacancies co-exist in thermal equilibrium. Whereas in the most thoroughly investigated temperature regime above about 1000$^\\circ$C Si self-diffusion is self-interstitial-controlled, it is vacancy-controlled at lower temperatures. According to the scenario displayed above, self-diffusion in Si-Ge alloys is expected to change from an interstitialcy mechanism on the Si side to a vacancy mechanism on the Ge side. Therefore, $^{71}$Ge self-diffusion experiments in Si$_{1- \\it y}$Ge$_{\\it y}$ as a function of composition Y are highly interesting. In a first series of experiments the diffusion of Ge in 0.4 to 10 $\\mu$m thick, relaxed, low-disl...
Directory of Open Access Journals (Sweden)
Shi-Zhou Xu
2016-01-01
Full Text Available In some special applications of NPC three-level inverters, such as mine hoist, there exist special conditions of overloading during the whole hoisting process and large overload in starting stage, during which the power-loss calculation of power devices and thermal control are important factors affecting the thermal stability of inverters. The principles of SVPWM and DPWM were described in this paper firstly, based on which the dynamic power losses of the two modulations of hoist in single period were calculated. Secondly, a thermal equilibrium dynamic control based on DPMW dual-mode modulation was proposed, which can switch the modulation dynamically according to the change of dynamic power loss to realize dynamic control of power loss and thermal equilibrium of inverter. Finally, simulation and experiment prove the effectiveness of the proposed strategy.
Thermal-field emission flicker (1/f) noise and diffusive equilibrium density fluctuations
Gesley, Mark; Swanson, Lyn
1988-06-01
A model of diffusive equilibrium density fluctuations in a grand-canonical ensemble is constructed for systems of finite size. The particle number autocorrelation is developed from a Langevin-type bounded-diffusion equation. Both probe and sample geometries affect its spectrum, which factors into two terms representing the particle creation rate and diffusion according to a multidimensional Carson's theorem. The spatial decay of the kernel in the spectrum's integral equation is measured by a frequency-dependent correlation length that depends on particle lifetime, diffusivity, and probe resolution. The kernel and its transform, the mutual coherence function, collapse to the Ornstein-Zernike spatial distribution but with the new result that the classical correlation length is given by a ratio of diffusive and thermodynamic variables. For the limiting case of an unbounded system with infinite particle lifetime, Voss and Clarke's spatially correlated spectrum is rederived. However, for this ensemble a finite particle lifetime is a necessary equilibrium condition. Little's theorem is generalized when particle interactions are included. Noise-power integrals converge in all cases. Frequency exponents characterize the spectra and, when a small region is probed in a quasi-two-dimensional system, broadband 1/f noise occurs. A Lorentzian spectrum results in the limit of no diffusion. A lower length limit introduced to avoid the breakdown of the diffusion approximation at small time and space intervals can in some cases be identified with probe resolution and is measurable when a certain crossover in frequency exponents is identified. The analysis is then applied to fluctuations in the electron current, thermal field emitted from a single-crystal tungsten cathode. These are coupled to self-diffusion of surface defect adatoms on the cathode by the Fowler-Nordheim equation. Other frequency crossovers yield surface diffusivities and their activation energies, which for
Directory of Open Access Journals (Sweden)
Asir Intisar Khan
2015-12-01
Full Text Available The thermal conductivity of graphene nanoribbons (GNRs has been investigated using equilibrium molecular dynamics (EMD simulation based on Green-Kubo (GK method to compare two interatomic potentials namely optimized Tersoff and 2nd generation Reactive Empirical Bond Order (REBO. Our comparative study includes the estimation of thermal conductivity as a function of temperature, length and width of GNR for both the potentials. The thermal conductivity of graphene nanoribbon decreases with the increase of temperature. Quantum correction has been introduced for thermal conductivity as a function of temperature to include quantum effect below Debye temperature. Our results show that for temperatures up to Debye temperature, thermal conductivity increases, attains its peak and then falls off monotonically. Thermal conductivity is found to decrease with the increasing length for optimized Tersoff potential. However, thermal conductivity has been reported to increase with length using 2nd generation REBO potential for the GNRs of same size. Thermal conductivity, for the specified range of width, demonstrates an increasing trend with the increase of width for both the concerned potentials. In comparison with 2nd generation REBO potential, optimized Tersoff potential demonstrates a better modeling of thermal conductivity as well as provides a more appropriate description of phonon thermal transport in graphene nanoribbon. Such comparative study would provide a good insight for the optimization of the thermal conductivity of graphene nanoribbons under diverse conditions.
Electron Tunneling Counting Statistics of a GaAs Quantum Dot at Thermal Equilibrium
Zhang, Xinchang; Xiao, Ming; Yablonovitch, Eli; Jiang, Hongwen
2008-03-01
Full counting statistics (FCS) is an innovative way to investigate current fluctuations of mesoscopic conductors which can provide additional information beyond the conventional average current measurement [1]. Suppression of the 2nd moment and the 3rd moment were observed in a many-electron quantum dot(QD)under nonequilibrium conditions [1]. Here we studied the FCS of single electron tunneling of a GaAs QD in the few electron regime at thermal equilibrium in the in-plane magnetic fields. The device consists of a multiple-surface-gates defined GaAs QD integrated with a very sensitive, high bandwidth field effect transitor (FET) channel for the QD charge state read-out. Monitoring the FET current revealed two sequences of random telegraph signals which represent the electron tunneling onto and off the QD in real time. When the QD level is aligned with Fermi level of the reservoir, the statistics shows a maximum value of both mean () and standard deviation (sigma), but a minimum skewness in its distribution function. It was also found that an in-plane magnetic field suppresses both and sigma, but enhances the skewness. [1], S. Gustavsson et. al, PRL 96, 76695(2006). .
Conductivity of cesium-seeded atmospheric pressure plasmas near thermal equilibrium
Energy Technology Data Exchange (ETDEWEB)
Harris, L. P.
1963-04-15
Measurements were made of the electric conductivities of gaseous mixtures formed by the addition of small fractions of cesium vapor to nitrogen, helium, neon, or argon. The mixtures studied were maintained near thermal equilibrium at temperatures in the 1500 to 2000 deg K range and a total pressure of 1 atm. The cesium vapor pressures ranged over two decades, from 0.1 to 10 torr. The apparatus consists, in essence, of two heated zones connected by a slow flow. The first zone is a low-temperature (200 to 400 deg C) oven where the body-gas flow picks up the cesium vapor. The second zone is a small electrically heated furnace (1250 to 1850 deg C) containing a diode test section. The principal measurements taken were the seeding temperature, furnace temperature, and voltages and currents in the test section. The results exhibit variations with temperature, seeding pressure, and gas species that correlate reasonably well with simple theory and values for electron collision frequencies and cross sections taken from the literature. (auth)
Thermal equilibrium solution to new model of bipolar hybrid quantum hydrodynamics
Di Michele, Federica; Mei, Ming; Rubino, Bruno; Sampalmieri, Rosella
2017-08-01
In this paper we study the hybrid quantum hydrodynamic model for nano-sized bipolar semiconductor devices in thermal equilibrium. By introducing a hybrid version of the Bhom potential, we derive a bipolar hybrid quantum hydrodynamic model, which is able to account for quantum effects in a localized region of the device for both electrons and holes. Coupled with Poisson equation for the electric potential, the steady-state system is regionally degenerate in its ellipticity, due to the quantum effect only in part of the device. This regional degeneracy of ellipticity makes the study more challenging. The main purpose of the paper is to investigate the existence and uniqueness of the weak solutions to this new type of equations. We first establish the uniform boundedness of the smooth solutions to the modified bipolar quantum hydrodynamic model by the variational method, then we use the compactness technique to prove the existence of weak solutions to the original hybrid system by taking hybrid limit. In particular, we account for two different kinds of hybrid behaviour. We perform the first hybrid limit when both electrons and holes behave quantum in a given region of the device, and the second one when only one carrier exhibits hybrid behaviour, whereas the other one is presented classically in the whole domain. The semi-classical limit results are also obtained. Finally, the theoretical results are tested numerically on a simple toy model.
Non-thermal equilibrium two-phase flow for melt migration and ascent
Schmeling, Harro; Marquart, Gabriele
2017-04-01
We develop a theory for heat exchange between a fluid phase in a solid porous matrix where the temperature of the fluid and of the matrix are different, i. e. not in thermal equilibrium. The formulation considers moving of the fluid within the porous matrix as well as moving of the matrix in an Eulerian grid. The theory can be applied to melts in partially molten rocks, particularly aiming at the transitional regime between melt percolation and flow through dikes, as well as to brine transport in porous rocks. The theory involves the energy conservation equations for the fluid and the solid phase which are coupled by a heat exchange term. We derive an expression based on a Fourier decomposition of a periodic half-waves for a macroscopic description of the non-equal temperatures in the fluid and the solid considering the relative volumetric fractions and surface to volume relations of the pores. We present a formulation for the heat exchange between the two phases taking into account different thermal conductivities of the fluid and the solid and considering the temporal evolution of the heat exchange. The latter leads to a convolution integral in case of a resting matrix. The evolution of the temperature in both phases with time is derived upon inserting the heat exchange term in the energy equations. We test the theory for a simple 1D case of sudden temperature difference between fluid and solid and vary fluid fractions and differential velocities between fluid and solid to obtain the requisites for the maximum Fourier coefficient and the time increments for numerical integration. The necessary time increments are small (between 10^-3 d2 / κ to 10^-5 d^2/ κ, where d is a scaling length, e.g. the pore radius and κ is a scaling diffusivity, e.g. the mean diffusivity) and strongly depend on the fluid fraction. The maximum Fourier coefficient need to be as high as 500 to resolve properly the sudden heat exchange between fluid and solid. Our results agree well with
Eltayeb, I. A.; Elbashir, T. B. A.
2017-08-01
The linear and nonlinear stabilities of second sound waves in a rotating porous Darcy-Brinkman layer in local thermal non-equilibrium are studied when the heat flux in the solid obeys the Cattaneo law. The simultaneous action of the Brinkman effect (effective viscosity) and rotation is shown to destabilise the layer, as compared to either of them acting alone, for both stationary and overstable modes. The effective viscosity tends to favour overstable modes while rotation tends to favour stationary convection. Rapid rotation invokes a negative viscosity effect that suppresses the stabilising effect of porosity so that the stability characteristics resemble those of the classical rotating Benard layer. A formal weakly nonlinear analysis yields evolution equations of the Landau-Stuart type governing the slow time development of the amplitudes of the unstable waves. The equilibrium points of the evolution equations are analysed and the overall development of the amplitudes is examined. Both overstable and stationary modes can exhibit supercritical stability; supercritical instability, subcritical instability and stability are not possible. The dependence of the supercritical stability on the relative values of the six dimensionless parameters representing thermal non-equilibrium, rotation, porosity, relaxation time, thermal diffusivities and Brinkman effect is illustrated as regions in regime diagrams in the parameter space. The dependence of the heat transfer and the mean heat flux on the parameters of the problem is also discussed.
Thermal non-equilibrium heat transfer in a porous cavity in the presence of bio-chemical heat source
Directory of Open Access Journals (Sweden)
Nazari Mohsen
2015-01-01
Full Text Available This paper is concerned with thermal non-equilibrium natural convection in a square cavity filled with a porous medium in the presence of a biomass which is transported in the cavity. The biomass can consume a secondary moving substrate. The physics of the presented problem is related to the analysis of heat and mass transfer in a composting process that controlled by internal heat generation. The intensity of the bio-heat source generated in the cavity is equal to the rate of consumption of the substrate by the biomass. It is assumed that the porous medium is homogeneous and isotropic. A two-field model that represents the fluid and solid phase temperature fields separately is used for energy equation. A simplified Monod model is introduced along with the governing equations to describe the consumption of the substrate by the biomass. In other word, the transient biochemical heat source which is dependent on a solute concentration is considered in the energy equations. Investigation of the biomass activity and bio-chemical heat generation in the case of thermal non-equilibrium assumption has not been considered in the literature and they are open research topics. The effects of thermal non-equilibrium model on heat transfer, flow pattern and biomass transfer are investigated. The effective parameters which have a direct impact on the generated bio-chemical heat source are also presented. The influences of the non-dimensional parameters such as fluid-to-solid conductivity ratio on the temperature distribution are presented.
Binder, Moritz; Barthel, Thomas
We compare matrix product purifications and minimally entangled typical thermal states (METTS) for the simulation of equilibrium states and finite-temperature response functions of strongly correlated quantum many-body systems. For METTS, we highlight the interplay of statistical and DMRG truncation errors, discuss the use of self-averaging effects, and describe schemes for the computation of response functions. We assess the computation costs and accuracies of the two methods for critical and gapped spin chains and the Bose-Hubbard model. For the same computation cost, purifications yield more accurate results than METTS except for temperatures well below the system's energy gap.
Energy Technology Data Exchange (ETDEWEB)
Messina, Riccardo [LNE-SYRTE, Observatoire de Paris, CNRS UMR 8630, UPMC, 61 avenue de l' Observatoire, F-75014 Paris (France); Antezza, Mauro [Universite Montpellier 2, Laboratoire Charles Coulomb UMR 5221, F-34095, Montpellier (France); CNRS, Laboratoire Charles Coulomb UMR 5221, F-34095, Montpellier (France)
2011-10-15
We study the radiative heat transfer and the Casimir-Lifshitz force occurring between two bodies in a system out of thermal equilibrium. We consider bodies of arbitrary shape and dielectric properties, held at two different temperatures and immersed in environmental radiation at a third different temperature. We derive explicit closed-form analytic expressions for the correlations of the electromagnetic field and for the heat transfer and Casimir-Lifshitz force in terms of the bodies' scattering matrices. We then consider some particular cases which we investigate in detail: the atom-surface and the slab-slab configurations.
A non-equilibrium simulation of thermal constriction in a cascaded arc hydrogen plasma
Peerenboom, K. S. C.; van Dijk, J.; W. J. Goedheer,; Kroesen, G. M. W.
2014-01-01
The cascaded arc hydrogen plasma of Pilot-PSI is studied in a non-LTE model. We demonstrate that the effect of vibrationally excited molecules on the heavy-particle-assisted dissociation is crucial for obtaining thermal constriction. To the best of our knowledge, thermal constriction has not been
Some properties of correlations of quantum lattice systems in thermal equilibrium
Energy Technology Data Exchange (ETDEWEB)
Fröhlich, Jürg, E-mail: juerg@phys.ethz.ch [Institut für Theoretische Physik, ETH Zürich (Switzerland); Ueltschi, Daniel, E-mail: daniel@ueltschi.org [Department of Mathematics, University of Warwick, Coventry CV4 7AL (United Kingdom)
2015-05-15
Simple proofs of uniqueness of the thermodynamic limit of KMS states and of the decay of equilibrium correlations are presented for a large class of quantum lattice systems at high temperatures. New quantum correlation inequalities for general Heisenberg models are described. Finally, a simplified derivation of a general result on power-law decay of correlations in 2D quantum lattice systems with continuous symmetries is given, extending results of McBryan and Spencer for the 2D classical XY model.
Wiegel, F.W.; Perelson, Alan S.
1982-01-01
When placed in suspension red blood cells adhere face-to-face and form long, cylindrical, and sometimes branched structures called rouleaux. We use methods developed in statistical mechanics to compute various statistical properties describing the size and shape of rouleaux in thermodynamic equilibrium. This leads to analytical expressions for (1) the average number of rouleaux consisting ofn cells and havingm branch points; (2) the average number of cells per rouleau; (3) the average number ...
Khatami, Ehsan; Rigol, Marcos; Relaño, Armando; García-García, Antonio M
2012-05-01
We study spectral properties and the dynamics after a quench of one-dimensional spinless fermions with short-range interactions and long-range random hopping. We show that a sufficiently fast decay of the hopping term promotes localization effects at finite temperature, which prevents thermalization even if the classical motion is chaotic. For slower decays, we find that thermalization does occur. However, within this model, the latter regime falls in an unexpected universality class, namely, observables exhibit a power-law (as opposed to an exponential) approach to their thermal expectation values.
Khatami, Ehsan; Rigol, Marcos; Relaño, Armando; García-García, Antonio M.
2012-05-01
We study spectral properties and the dynamics after a quench of one-dimensional spinless fermions with short-range interactions and long-range random hopping. We show that a sufficiently fast decay of the hopping term promotes localization effects at finite temperature, which prevents thermalization even if the classical motion is chaotic. For slower decays, we find that thermalization does occur. However, within this model, the latter regime falls in an unexpected universality class, namely, observables exhibit a power-law (as opposed to an exponential) approach to their thermal expectation values.
Identifying Student Resources in Reasoning about Entropy and the Approach to Thermal Equilibrium
Loverude, Michael
2015-01-01
As part of an ongoing project to examine student learning in upper-division courses in thermal and statistical physics, we have examined student reasoning about entropy and the second law of thermodynamics. We have examined reasoning in terms of heat transfer, entropy maximization, and statistical treatments of multiplicity and probability. In…
Wiegel, Frederik W.; Perelson, Alan S.
1982-12-01
When placed in suspension red blood cells adhere face-to-face and form long, cylindrical, and sometimes branched structures called rouleaux. We use methods developed in statistical mechanics to compute various statistical properties describing the size and shape of rouleaux in thermodynamic equilibrium. This leads to analytical expressions for (1) the average number of rouleaux consisting of n cells and having m branch points; (2) the average number of cells per rouleau; (3) the average number of branch points per rouleau; and (4) the number of rouleaux with n cells in a system containing a total of N cells. We also derive asymptotic formulas that simplify these analytic expressions, and present numerical comparisons of the exact and asymptotic results.
Microscopic Simulation and Macroscopic Modeling for Thermal and Chemical Non-Equilibrium
Liu, Yen; Panesi, Marco; Vinokur, Marcel; Clarke, Peter
2013-01-01
This paper deals with the accurate microscopic simulation and macroscopic modeling of extreme non-equilibrium phenomena, such as encountered during hypersonic entry into a planetary atmosphere. The state-to-state microscopic equations involving internal excitation, de-excitation, dissociation, and recombination of nitrogen molecules due to collisions with nitrogen atoms are solved time-accurately. Strategies to increase the numerical efficiency are discussed. The problem is then modeled using a few macroscopic variables. The model is based on reconstructions of the state distribution function using the maximum entropy principle. The internal energy space is subdivided into multiple groups in order to better describe the non-equilibrium gases. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients. The modeling is completely physics-based, and its accuracy depends only on the assumed expression of the state distribution function and the number of groups used. The model makes no assumption at the microscopic level, and all possible collisional and radiative processes are allowed. The model is applicable to both atoms and molecules and their ions. Several limiting cases are presented to show that the model recovers the classical twotemperature models if all states are in one group and the model reduces to the microscopic equations if each group contains only one state. Numerical examples and model validations are carried out for both the uniform and linear distributions. Results show that the original over nine thousand microscopic equations can be reduced to 2 macroscopic equations using 1 to 5 groups with excellent agreement. The computer time is decreased from 18 hours to less than 1 second.
Quantum non-equilibrium effects in rigidly-rotating thermal states
Directory of Open Access Journals (Sweden)
Victor E. Ambruş
2017-08-01
Full Text Available Based on known analytic results, the thermal expectation value of the stress-energy tensor (SET operator for the massless Dirac field is analysed from a hydrodynamic perspective. Key to this analysis is the Landau decomposition of the SET, with the aid of which we find terms which are not present in the ideal SET predicted by kinetic theory. Moreover, the quantum corrections become dominant in the vicinity of the speed of light surface (SOL. While rigidly-rotating thermal states cannot be constructed for the Klein–Gordon field, we perform a similar analysis at the level of quantum corrections previously reported in the literature and we show that the Landau frame is well-defined only when the system is enclosed inside a boundary located inside or on the SOL. We discuss the relevance of these results for accretion disks around rapidly-rotating pulsars.
Quantum non-equilibrium effects in rigidly-rotating thermal states
Ambruş, Victor E.
2017-08-01
Based on known analytic results, the thermal expectation value of the stress-energy tensor (SET) operator for the massless Dirac field is analysed from a hydrodynamic perspective. Key to this analysis is the Landau decomposition of the SET, with the aid of which we find terms which are not present in the ideal SET predicted by kinetic theory. Moreover, the quantum corrections become dominant in the vicinity of the speed of light surface (SOL). While rigidly-rotating thermal states cannot be constructed for the Klein-Gordon field, we perform a similar analysis at the level of quantum corrections previously reported in the literature and we show that the Landau frame is well-defined only when the system is enclosed inside a boundary located inside or on the SOL. We discuss the relevance of these results for accretion disks around rapidly-rotating pulsars.
Zhang, Xiu-xing; Li, Fu-li
2011-11-01
The generation of non-equilibrium thermal quantum discord and entanglement is investigated in a three-spin chain whose two end spins are respectively coupled to two thermal reservoirs at different temperatures. We show that the spin chain can be decoupled from the thermal reservoirs by homogeneously applying a magnetic field and including a strong three-spin interaction, and then the maximal steady-state quantum discord and entanglement in the two end spins can always be created. In addition, the present investigation may provide a useful approach to control coupling between a quantum system and its environment.
Ahmad, Zahoor
2009-08-01
Cascaded arc of Pilot-PSI is modeled using numerical simulation code PLASIMO [G. M. Janssen, Ph.D. thesis, Eindhoven University of Technology (2000), http://plasimo.phys.tue.nl]. Pilot-PSI is a linear device used to produce a high density plasma column for the study of plasma surface interaction processes. In this modeling effort nonlocal thermal equilibrium plasma of Ar-H2 mixture is used. The purpose of these simulations is to optimize the cascaded arc for a higher yield of H+ ions and to investigate the role of Ar-H2 mixture ratios. The associative charge exchange reaction followed by dissociative recombination plays a very important role in the dissociation of H2 molecules and as a consequence the yield of H+ increases and of Ar+ decreases. The Ar+ density also decreases in the arc when H2 concentration is increased beyond certain value. With a mixture of 2.5 standard liters per minute Ar and 0.5 SLM H2 the H+ ion flux exceeds the flux obtained in pure H2 gas, at a reduced expenditure of energy per ion.
Energy Technology Data Exchange (ETDEWEB)
Zhang, Xiu-xing [MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, and Department of Applied Physics, Xi' an Jiaotong University, Xi' an 710049 (China); Li, Fu-li, E-mail: flli@mail.xjtu.edu.cn [MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, and Department of Applied Physics, Xi' an Jiaotong University, Xi' an 710049 (China)
2011-11-07
The generation of non-equilibrium thermal quantum discord and entanglement is investigated in a three-spin chain whose two end spins are respectively coupled to two thermal reservoirs at different temperatures. We show that the spin chain can be decoupled from the thermal reservoirs by homogeneously applying a magnetic field and including a strong three-spin interaction, and then the maximal steady-state quantum discord and entanglement in the two end spins can always be created. In addition, the present investigation may provide a useful approach to control coupling between a quantum system and its environment. -- Highlights: → Spin chain decoupled from thermal reservoirs. → Thermal excitation depressed. → Maximal quantum correlations created.
Directory of Open Access Journals (Sweden)
Enrico Sciubba
2017-11-01
Full Text Available The paper discusses how the two thermodynamic properties, energy (U and exergy (E, can be used to solve the problem of quantifying the entropy of non-equilibrium systems. Both energy and exergy are a priori concepts, and their formal dependence on thermodynamic state variables at equilibrium is known. Exploiting the results of a previous study, we first calculate the non-equilibrium exergy En-eq can be calculated for an arbitrary temperature distributions across a macroscopic body with an accuracy that depends only on the available information about the initial distribution: the analytical results confirm that En-eq exponentially relaxes to its equilibrium value. Using the Gyftopoulos-Beretta formalism, a non-equilibrium entropy Sn-eq(x,t is then derived from En-eq(x,t and U(x,t. It is finally shown that the non-equilibrium entropy generation between two states is always larger than its equilibrium (herein referred to as “classical” counterpart. We conclude that every iso-energetic non-equilibrium state corresponds to an infinite set of non-equivalent states that can be ranked in terms of increasing entropy. Therefore, each point of the Gibbs plane corresponds therefore to a set of possible initial distributions: the non-equilibrium entropy is a multi-valued function that depends on the initial mass and energy distribution within the body. Though the concept cannot be directly extended to microscopic systems, it is argued that the present formulation is compatible with a possible reinterpretation of the existing non-equilibrium formulations, namely those of Tsallis and Grmela, and answers at least in part one of the objections set forth by Lieb and Yngvason. A systematic application of this paradigm is very convenient from a theoretical point of view and may be beneficial for meaningful future applications in the fields of nano-engineering and biological sciences.
Nishino, Masamichi; Miyashita, Seiji
2015-04-01
It is crucially important to investigate the effects of temperature on magnetic properties such as critical phenomena, nucleation, pinning, domain wall motion, and coercivity. The Landau-Lifshitz-Gilbert (LLG) equation has been applied extensively to study dynamics of magnetic properties. Approaches of Langevin noises have been developed to introduce the temperature effect into the LLG equation. To have the thermal equilibrium state (canonical distribution) as the steady state, the system parameters must satisfy some condition known as the fluctuation-dissipation relation. In inhomogeneous magnetic systems in which spin magnitudes are different at sites, the condition requires that the ratio between the amplitude of the random noise and the damping parameter depend on the magnitude of the magnetic moment at each site. Focused on inhomogeneous magnetic systems, we systematically showed agreement between the stationary state of the stochastic LLG equation and the corresponding equilibrium state obtained by Monte Carlo simulations in various magnetic systems including dipole-dipole interactions. We demonstrated how violations of the condition result in deviations from the true equilibrium state. We also studied the characteristic features of the dynamics depending on the choice of the parameter set. All the parameter sets satisfying the condition realize the same stationary state (equilibrium state). In contrast, different choices of parameter set cause seriously different relaxation processes. We show two relaxation types, i.e., magnetization reversals with uniform rotation and with nucleation.
Ferrante, J.
1972-01-01
Equilibrium surface segregation of aluminum in a copper-10-atomic-percent-aluminum single crystal alloy oriented in the /111/ direction was demonstrated by using Auger electron spectroscopy. This crystal was in the solid solution range of composition. Equilibrium surface segregation was verified by observing that the aluminum surface concentration varied reversibly with temperature in the range 550 to 850 K. These results were curve fitted to an expression for equilibrium grain boundary segregation and gave a retrieval energy of 5780 J/mole (1380 cal/mole) and a maximum frozen-in surface coverage three times the bulk layer concentration. Analyses concerning the relative merits of sputtering calibration and the effects of evaporation are also included.
Massaglia, S.; Ferrari, A.; Bodo, G.; Kalkofen, W.; Rosner, R.
1985-01-01
The stability of current-driven filamentary modes in magnetic flux tubes embedded in a plane-parallel atmosphere in LTE and in hydrostatic equilibrium is discussed. Within the tube, energy transport by radiation only is considered. The dominant contribution to the opacity is due to H- ions and H atoms (in the Paschen continuum). A region in the parameter space of the equilibrium configuration in which the instability is effective is delimited, and the relevance of this process for the formation of structured coronae in late-type stars and accretion disks is discussed.
Kobayashi, K.; Yamaoka, S.; Sueoka, K.; Vanhellemont, J.
2017-09-01
It is well known that p-type, neutral and n-type dopants affect the intrinsic point defect (vacancy V and self-interstitial I) behavior in single crystal Si. By the interaction with V and/or I, (1) growing Si crystals become more V- or I-rich, (2) oxygen precipitation is enhanced or retarded, and (3) dopant diffusion is enhanced or retarded, depending on the type and concentration of dopant atoms. Since these interactions affect a wide range of Si properties ranging from as-grown crystal quality to LSI performance, numerical simulations are used to predict and to control the behavior of both dopant atoms and intrinsic point defects. In most cases, the thermal equilibrium concentrations of dopant-point defect pairs are evaluated using the mass action law by taking only the binding energy of closest pair to each other into account. The impacts of dopant atoms on the formation of V and I more distant than 1st neighbor and on the change of formation entropy are usually neglected. In this study, we have evaluated the thermal equilibrium concentrations of intrinsic point defects in heavily doped Si crystals. Density functional theory (DFT) calculations were performed to obtain the formation energy (Ef) of the uncharged V and I at all sites in a 64-atom supercell around a substitutional p-type (B, Ga, In, and Tl), neutral (C, Ge, and Sn) and n-type (P, As, and Sb) dopant atom. The formation (vibration) entropies (Sf) of free I, V and I, V at 1st neighboring site from B, C, Sn, P and As atoms were also calculated with the linear response method. The dependences of the thermal equilibrium concentrations of trapped and total intrinsic point defects (sum of free I or V and I or V trapped with dopant atoms) on the concentrations of B, C, Sn, P and As in Si were obtained. Furthermore, the present evaluations well explain the experimental results of the so-called ;Voronkov criterion; in B and C doped Si, and also the observed dopant dependent void sizes in P and As doped Si
Trinh, T.T.; Vlugt, T.J.H.; Kjelstrup, S.H.
2014-01-01
We report a systematic investigation of the thermal conductivity of various three-site models of carbon dioxide (CO2) using nonequilibrium molecular dynamics in the temperature range 300–1000 K and for pressures up to 200 MPa. A direct comparison with experimental data is made. Three popular CO2
Yousefvand, Hossein Reza
2017-12-01
A self-consistent model of quantum cascade lasers (QCLs) is presented here for the study of the QCL's behavior in the far from equilibrium conditions. The approach is developed by employing a number of physics-based models such as the carrier and photon rate equations, the energy balance equation, the heat transfer equation and a simplified rate equation for the creation and annihilation of nonequilibrium optical phonons. The temperature dependency of the relevant physical effects such as stimulated gain cross section, longitudinal optical (LO) phonons and hot-phonon generation rates are included in the model. Using the presented model, the static and transient device characteristics are calculated and analyzed for a wide range of heat sink temperatures. Besides the output characteristics, this model also provides a way to study the hot-phonon dynamics in the device, and to explore the electron temperature and thermal roll-over in the QCLs.
Energy Technology Data Exchange (ETDEWEB)
Sergey G Kalyakin; Andrey V Morozov; Oleg V Remizov; Alexandr A Tzyganok [State Scientific Center of Russian Federation - Institute for Physics and Power Engineering by A.I. Leypunsky, IPPE, 1, Bondarenko sq., Obninsk, 249030 (Russian Federation)
2005-07-01
Full text of publication follows: In the systems of passive reactor cooling and core reflooding from above under accident conditions, the cold water flows out into countercurrent steam flow; that is, the direct contact between steam and liquid occurs simultaneously over all cross-sections of pipes/closed spaces. The process is complicated by additional effect of steam condensation and droplet flow towards the steam flow. The processes of heat and mass transfer proceed simultaneously at variable liquid level. These factors give rise to a nonsteady, non-equilibrium two-phase flow. The operating conditions of such a non-steady process, the main of which being the time of closed water volume dump (or the flow coefficient), can be obtained only experimentally. The present work is devoted to the experimental investigations of the interaction of saturated steam with cold water at its flowing out from a closed space with a variable level and some characteristics of dynamic two-phase layer at the steam/liquid interface. With reference to the system of passive heat removal from VVER core, the processes of interaction of saturated steam, steam-water mixture, and air with cold water at its flowing out from a vertical plugged pipe with an internal diameter of 50 and 100 mm have been studied at a pressure of 0.5 MPa. It has been stated experimentally that the dump rate of subcooled water from a plugged pipe into steam is nearly an order of magnitude less than that into non-condensable gas media. The semi-empirical correlation describing the processes of water outflow from plugged pipes into steam is of the form of: W-bar = C{sub 0} {radical}(gd), where C{sub 0} is the dimensionless constant, d is the pipe internal diameter, m, g = 9.81 m/s{sup 2}. (authors)
Energy Technology Data Exchange (ETDEWEB)
Valdivia B, R.; Pacheco S, J.; Pacheco P, M.; Ramos F, F.; Cruz A, A. [ININ, Carretera Mexico-Toluca s/n, Ocoyoacac 52750, Estado de Mexico (Mexico); Velazquez P, S. [Instituto Tecnologico de Toluca, Av. Instituto Tecnologico s/n, Ex-Rancho la Virgen, Metepec 52140, Estado de Mexico (Mexico)
2008-07-01
In this work applies the technique of optical emission spectroscopy to diagnose the temperature of the species generated in plasma in the transition to glow discharge arc. Whit this diagnosis is possible to determine the local thermal equilibrium conditions of the discharge. (Author)
Mishchenko, Michael I.
2017-10-01
The majority of previous studies of the interaction of individual particles and multi-particle groups with electromagnetic field have focused on either elastic scattering in the presence of an external field or self-emission of electromagnetic radiation. In this paper we apply semi-classical fluctuational electrodynamics to address the ubiquitous scenario wherein a fixed particle or a fixed multi-particle group is exposed to an external quasi-polychromatic electromagnetic field as well as thermally emits its own electromagnetic radiation. We summarize the main relevant axioms of fluctuational electrodynamics, formulate in maximally rigorous mathematical terms the general scattering-emission problem for a fixed object, and derive such fundamental corollaries as the scattering-emission volume integral equation, the Lippmann-Schwinger equation for the dyadic transition operator, the multi-particle scattering-emission equations, and the far-field limit. We show that in the framework of fluctuational electrodynamics, the computation of the self-emitted component of the total field is completely separated from that of the elastically scattered field. The same is true of the computation of the emitted and elastically scattered components of quadratic/bilinear forms in the total electromagnetic field. These results pave the way to the practical computation of relevant optical observables.
Ismail, M.S.
2014-01-01
We introduce a new concept which extends von Neumann and Morgenstern's maximin strategy solution by incorporating `individual rationality' of the players. Maximin equilibrium, extending Nash's value approach, is based on the evaluation of the strategic uncertainty of the whole game. We show that
Oliveira, Mário J
2013-01-01
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 textbo...
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...
Directory of Open Access Journals (Sweden)
Sadao Isotani
1982-11-01
Full Text Available Descrição de experimentos de medida de tempo para o equilíbrio térmico em cristais de espodumênio, com espessura de 2mm até 5,4mm, na faixa de temperatura de 100°C a 250°C. Os tempos para o equilíbrio térmico mostram uma correlação linear com a espessura tanto para o aquecimento, como para esfriamento. A diferença nos tempos para o equilíbrio térmico e para o aquecimento e esfriamento é da ordem de 20 segundos.Experiments for measurement of time taken to reach thermal equilibrium in Spodumene crystals — 2mm to 5,4mm thick - in the temperature range 100° to 250°C are described. The measurements indicate a linear relationship between time and thickenes for heating as well as for cooling. Difference in thermal equilibrium time for heating and for cooling is about of 20 seconds.
Status of chemical equilibrium in relativistic heavy-ion collisions
Indian Academy of Sciences (India)
. The energy dependence of thermal parameters is discussed. The centrality dependence of thermal parameters at. SPS energies is presented. Keywords. Chemical equilibrium; particle multiplicities. PACS Nos 24.10.Pa; 25.75.Dw; 25.75.-q. 1.
Pathak, Amar Deep; Nedea, Silvia; Zondag, Herbert; Rindt, Camilo; Smeulders, David
2016-04-21
Salt hydrates store solar energy in chemical form via a reversible dehydration-hydration reaction. However, as a side reaction to dehydration, hydrolysis (HCl formation) may occur in chloride based salt hydrates (specially in MgCl2 hydrates), affecting the durability of the storage system. The mixture of CaCl2 and MgCl2 hydrates has been shown experimentally to have exceptional cycle stability and improved kinetics. However, the optimal operating conditions for the mixture are unknown. To understand the appropriate balance between dehydration and hydrolysis kinetics in the mixtures, it is essential to gain in-depth insight into the mixture components. We present a GGA-DFT level study to investigate the various gaseous structures of CaCl2 hydrates and to understand the relative stability of their conformers. The hydration strength and relative stability of conformers are dominated by electrostatic interactions. A wide network of intramolecular homonuclear and heteronuclear hydrogen bonds is observed in CaCl2 hydrates. Equilibrium product concentrations are obtained during dehydration and hydrolysis reactions under various temperature and pressure conditions. The trend of the dehydration curve with temperature in CaCl2 hydrates is similar to the experiments. Comparing these results to those of MgCl2 hydrates, we find that CaCl2 hydrates are more resistant towards hydrolysis in the temperature range of 273-800 K. Specifically, the present study reveals that the onset temperatures of HCl formation, a crucial design parameter for MgCl2 hydrates, are lower than for CaCl2 hydrates except for the mono-hydrate.
Ion exchange equilibrium constants
Marcus, Y
2013-01-01
Ion Exchange Equilibrium Constants focuses on the test-compilation of equilibrium constants for ion exchange reactions. The book first underscores the scope of the compilation, equilibrium constants, symbols used, and arrangement of the table. The manuscript then presents the table of equilibrium constants, including polystyrene sulfonate cation exchanger, polyacrylate cation exchanger, polymethacrylate cation exchanger, polysterene phosphate cation exchanger, and zirconium phosphate cation exchanger. The text highlights zirconium oxide anion exchanger, zeolite type 13Y cation exchanger, and
Non-equilibrium quantum heat machines
Alicki, Robert; Gelbwaser, David
2015-01-01
Standard heat machines (engine, heat pump, refrigerator) are composed of a system ("working fluid") coupled to at least two equilibrium baths at different temperatures and periodically driven by an external device (piston or rotor) called sometimes work reservoir. The aim of this paper is to go beyond this scheme by considering environments which are stationary but cannot be decomposed into few baths at thermal equilibrium. Such situations are important, for example in solar cells, chemical m...
Quantity Constrained General Equilibrium
Babenko, R.; Talman, A.J.J.
2006-01-01
In a standard general equilibrium model it is assumed that there are no price restrictions and that prices adjust infinitely fast to their equilibrium values.In case of price restrictions a general equilibrium may not exist and rationing on net demands or supplies is needed to clear the markets.In
Energy Technology Data Exchange (ETDEWEB)
Moreno S, H. [Instituto Tecnologico de Toluca, Metepec, Estado de Mexico (Mexico); Pacheco P, M.; Pacheco S, J.; Cruz A, A. [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)]. e-mail: hilda_saavedra@yahoo.com.mx
2005-07-01
In spite of the measures that have taken for the decrease of the emitted pollution by mobile sources (''Today it doesn't Circulate'', implementation of catalysts in those exhaust pipes,...), the pollution in the Valley of Mexico area overcomes the limits fixed by Mexican standards several days each year. It is foreseen that for 2020 those emissions of pollutants will be increase considerably, as example we can mention to the sulfur oxides which will be increase a 48% with regard to 1998. The purpose of this work is of proposing a technique for the degradation of the sulfur dioxide (SO{sub 2}) that consists in introducing this gas to a plasma out of thermal equilibrium where its were formed key radicals (O, OH) for its degradation. The proposed reactor has the advantage of combining the kindness of the dielectric barrier discharge and of corona discharge, besides working to atmospheric pressure and having small dimensions. The first obtained results of the modelling of the degradation of the SO{sub 2} in plasma as well as those experimentally obtained are presented. (Author)
Brignole, Esteban Alberto
2013-01-01
Traditionally, the teaching of phase equilibria emphasizes the relationships between the thermodynamic variables of each phase in equilibrium rather than its engineering applications. This book changes the focus from the use of thermodynamics relationships to compute phase equilibria to the design and control of the phase conditions that a process needs. Phase Equilibrium Engineering presents a systematic study and application of phase equilibrium tools to the development of chemical processes. The thermodynamic modeling of mixtures for process development, synthesis, simulation, design and
Statistical fluctuations and correlations in hadronic equilibrium systems
Energy Technology Data Exchange (ETDEWEB)
Hauer, Michael
2010-06-17
This thesis is dedicated to the study of fluctuation and correlation observables of hadronic equilibrium systems. The statistical hadronization model of high energy physics, in its ideal, i.e. non-interacting, gas approximation is investigated in different ensemble formulations. The hypothesis of thermal and chemical equilibrium in high energy interaction is tested against qualitative and quantitative predictions. (orig.)
Directory of Open Access Journals (Sweden)
Katalin Martinás
2007-02-01
Full Text Available A microeconomic, agent based framework to dynamic economics is formulated in a materialist approach. An axiomatic foundation of a non-equilibrium microeconomics is outlined. Economic activity is modelled as transformation and transport of commodities (materials owned by the agents. Rate of transformations (production intensity, and the rate of transport (trade are defined by the agents. Economic decision rules are derived from the observed economic behaviour. The non-linear equations are solved numerically for a model economy. Numerical solutions for simple model economies suggest that the some of the results of general equilibrium economics are consequences only of the equilibrium hypothesis. We show that perfect competition of selfish agents does not guarantee the stability of economic equilibrium, but cooperativity is needed, too.
Directory of Open Access Journals (Sweden)
Nicolas Oury
2010-06-01
Full Text Available We present a reduction of the termination problem for a Turing machine (in the simplified form of the Post correspondence problem to the problem of determining whether a continuous-time Markov chain presented as a set of Kappa graph-rewriting rules has an equilibrium. It follows that the problem of whether a computable CTMC is dissipative (ie does not have an equilibrium is undecidable.
Equilibrium statistical mechanics
Mayer, J E
1968-01-01
The International Encyclopedia of Physical Chemistry and Chemical Physics, Volume 1: Equilibrium Statistical Mechanics covers the fundamental principles and the development of theoretical aspects of equilibrium statistical mechanics. Statistical mechanical is the study of the connection between the macroscopic behavior of bulk matter and the microscopic properties of its constituent atoms and molecules. This book contains eight chapters, and begins with a presentation of the master equation used for the calculation of the fundamental thermodynamic functions. The succeeding chapters highlight t
Approach to equilibrium in weakly coupled nonabelian plasmas
Kurkela, Aleksi
2014-01-01
We follow the time evolution of nonabelian gauge bosons from far-from-equilibrium initial conditions to thermal equilibrium by numerically solving an effective kinetic equation that becomes accurate in the weak coupling limit. We consider initial conditions that are either highly overoccupied or underoccupied. We find that overoccupied systems thermalize through a turbulent cascade reaching equilibrium in multiples of a thermalization time $t\\approx 72./ (1-0.12\\log \\lambda)/\\lambda^2 T$, whereas underoccupied systems undergo a "bottom-up" thermalization in a time $t\\approx (34. +21. \\ln(Q/T))/ (1-0.037\\log \\lambda)(Q/T)^{1/2}/\\lambda^2 T$, where $Q$ is the characteristic momentum scale of the initial condition. We apply this result to model initial stages of heavy-ion collisions and find rapid thermalization roughly in a time $Qt \\lesssim 10$ or $t\\lesssim 1$ fm/c.
Non-equilibrium quantum heat machines
Alicki, Robert; Gelbwaser-Klimovsky, David
2015-11-01
Standard heat machines (engine, heat pump, refrigerator) are composed of a system (working fluid) coupled to at least two equilibrium baths at different temperatures and periodically driven by an external device (piston or rotor) sometimes called the work reservoir. The aim of this paper is to go beyond this scheme by considering environments which are stationary but cannot be decomposed into a few baths at thermal equilibrium. Such situations are important, for example in solar cells, chemical machines in biology, various realizations of laser cooling or nanoscopic machines driven by laser radiation. We classify non-equilibrium baths depending on their thermodynamic behavior and show that the efficiency of heat machines powered by them is limited by the generalized Carnot bound.
Local Stellarator Equilibrium Model
Hudson, Stuart R.; Hegna, Chris C.; Lewandowski, Jerome W.
2000-10-01
Extensive calculations of ballooning and drift waves spectrums in asymmetric toroidal configurations (e.g. stellarators) to appreciate the role of magnetic geometry and profile variations are usually are usually prohibitive as the evaluation of the magneto-hydrodynamic (MHD) equilibrium is in itself a non-trivial problem. Although simple analytical MHD model equilibria do exist for tokamak configurations, their stellarator counterparts are usually crude or very approximate. In order to make more extensive stability calculations (of both ideal ballooning and drift-type modes), a technique for generating three-dimensional magneto-static equilibria, localized to a magnetic surface, has been developed. The technique allows one to easily manipulate various 3-D shaping and profile effects on a magnetic surface avoiding the need to recompute an entire three dimensional solution of the equilibrium. The model equilibrium has been implemented into existing ideal MHD ballooning and drift wave numerical codes. Marginal ballooning stability diagrams and drift wave calculations will be reported.
Beyond Equilibrium Thermodynamics
Öttinger, Hans Christian
2005-01-01
Beyond Equilibrium Thermodynamics fills a niche in the market by providing a comprehensive introduction to a new, emerging topic in the field. The importance of non-equilibrium thermodynamics is addressed in order to fully understand how a system works, whether it is in a biological system like the brain or a system that develops plastic. In order to fully grasp the subject, the book clearly explains the physical concepts and mathematics involved, as well as presenting problems and solutions; over 200 exercises and answers are included. Engineers, scientists, and applied mathematicians can all use the book to address their problems in modelling, calculating, and understanding dynamic responses of materials.
Emergent supersymmetry in local equilibrium systems
Gao, Ping; Liu, Hong
2018-01-01
Many physical processes we observe in nature involve variations of macroscopic quantities over spatial and temporal scales much larger than microscopic molecular collision scales and can be considered as in local thermal equilibrium. In this paper we show that any classical statistical system in local thermal equilibrium has an emergent supersymmetry at low energies. We use the framework of non-equilibrium effective field theory for quantum many-body systems defined on a closed time path contour and consider its classical limit. Unitarity of time evolution requires introducing anti-commuting degrees of freedom and BRST symmetry which survive in the classical limit. The local equilibrium is realized through a Z 2 dynamical KMS symmetry. We show that supersymmetry is equivalent to the combination of BRST and a specific consequence of the dynamical KMS symmetry, to which we refer as the special dynamical KMS condition. In particular, we prove a theorem stating that a system satisfying the special dynamical KMS condition is always supersymmetrizable. We discuss a number of examples explicitly, including model A for dynamical critical phenomena, a hydrodynamic theory of nonlinear diffusion, and fluctuating hydrodynamics for relativistic charged fluids.
Aerospace Applications of Non-Equilibrium Plasma
Blankson, Isaiah M.
2016-01-01
Nonequilibrium plasma/non-thermal plasma/cold plasmas are being used in a wide range of new applications in aeronautics, active flow control, heat transfer reduction, plasma-assisted ignition and combustion, noise suppression, and power generation. Industrial applications may be found in pollution control, materials surface treatment, and water purification. In order for these plasma processes to become practical, efficient means of ionization are necessary. A primary challenge for these applications is to create a desired non-equilibrium plasma in air by preventing the discharge from transitioning into an arc. Of particular interest is the impact on simulations and experimental data with and without detailed consideration of non-equilibrium effects, and the consequences of neglecting non-equilibrium. This presentation will provide an assessment of the presence and influence of non-equilibrium phenomena for various aerospace needs and applications. Specific examples to be considered will include the forward energy deposition of laser-induced non-equilibrium plasmoids for sonic boom mitigation, weakly ionized flows obtained from pulsed nanosecond discharges for an annular Hall type MHD generator duct for turbojet energy bypass, and fundamental mechanisms affecting the design and operation of novel plasma-assisted reactive systems in dielectric liquids (water purification, in-pipe modification of fuels, etc.).
The equilibrium size distribution of rouleaux.
Perelson, A S; Wiegel, F.W.
1982-01-01
Rouleaux are formed by the aggregation of red blood cells in the presence of macromolecules that bridge the membranes of adherent erythrocytes. We compute the size and degree of branching of rouleaux for macroscopic systems in thermal equilibrium in the absence of fluid flow. Using techniques from statistical mechanics, analytical expressions are derived for (a) the average number of rouleaux consisting of n cells and having m branch points; (b) the average number of cells per rouleau; (c) th...
Equilibrium shoreface profiles
DEFF Research Database (Denmark)
Aagaard, Troels; Hughes, Michael G
2017-01-01
Large-scale coastal behaviour models use the shoreface profile of equilibrium as a fundamental morphological unit that is translated in space to simulate coastal response to, for example, sea level oscillations and variability in sediment supply. Despite a longstanding focus on the shoreface prof...
On Quantum Microcanonical Equilibrium
Dorje C. Brody; Hook, Daniel W.; Hughston, Lane P.
2007-01-01
A quantum microcanonical postulate is proposed as a basis for the equilibrium properties of small quantum systems. Expressions for the corresponding density of states are derived, and are used to establish the existence of phase transitions for finite quantum systems. A grand microcanonical ensemble is introduced, which can be used to obtain new rigorous results in quantum statistical mechanics. Accepted version
On quantum microcanonical equilibrium
Energy Technology Data Exchange (ETDEWEB)
Brody, Dorje C [Department of Mathematics, Imperial College, London SW7 2BZ (United Kingdom); Hook, Daniel W [Blackett Laboratory, Imperial College, London SW7 2BZ (United Kingdom); Hughston, Lane P [Department of Mathematics, King' s College London, The Strand, London WC2R 2LS (United Kingdom)
2007-05-15
A quantum microcanonical postulate is proposed as a basis for the equilibrium properties of small quantum systems. Expressions for the corresponding density of states are derived, and are used to establish the existence of phase transitions for finite quantum systems. A grand microcanonical ensemble is introduced, which can be used to obtain new rigorous results in quantum statistical mechanics.
Differential Equation of Equilibrium
African Journals Online (AJOL)
user
ABSTRACT. Analysis of underground circular cylindrical shell is carried out in this work. The forth order differential equation of equilibrium, comparable to that of beam on elastic foundation, was derived from static principles on the assumptions of P. L Pasternak. Laplace transformation was used to solve the governing ...
DEFF Research Database (Denmark)
Bollerslev, Tim; Sizova, Natalia; Tauchen, George
Stock market volatility clusters in time, carries a risk premium, is fractionally inte- grated, and exhibits asymmetric leverage effects relative to returns. This paper develops a first internally consistent equilibrium based explanation for these longstanding empirical facts. The model is cast...
Differential Equation of Equilibrium
African Journals Online (AJOL)
user
differential equation of equilibrium, comparable to that of beam on elastic foundation, was derived from static principles on the ... tedious and more time saving than the classical method in the solution of the aforementioned differential equation. ... silos, pipelines, bridge arches or wind turbine towers [3]. The objective of this ...
Microeconomics : Equilibrium and Efficiency
Ten Raa, T.
2013-01-01
Microeconomics: Equilibrium and Efficiency teaches how to apply microeconomic theory in an innovative, intuitive and concise way. Using real-world, empirical examples, this book not only covers the building blocks of the subject, but helps gain a broad understanding of microeconomic theory and
Problems in equilibrium theory
Aliprantis, Charalambos D
1996-01-01
In studying General Equilibrium Theory the student must master first the theory and then apply it to solve problems. At the graduate level there is no book devoted exclusively to teaching problem solving. This book teaches for the first time the basic methods of proof and problem solving in General Equilibrium Theory. The problems cover the entire spectrum of difficulty; some are routine, some require a good grasp of the material involved, and some are exceptionally challenging. The book presents complete solutions to two hundred problems. In searching for the basic required techniques, the student will find a wealth of new material incorporated into the solutions. The student is challenged to produce solutions which are different from the ones presented in the book.
Equilibrium statistical mechanics
Jackson, E Atlee
2000-01-01
Ideal as an elementary introduction to equilibrium statistical mechanics, this volume covers both classical and quantum methodology for open and closed systems. Introductory chapters familiarize readers with probability and microscopic models of systems, while additional chapters describe the general derivation of the fundamental statistical mechanics relationships. The final chapter contains 16 sections, each dealing with a different application, ordered according to complexity, from classical through degenerate quantum statistical mechanics. Key features include an elementary introduction t
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
Average inbreeding or equilibrium inbreeding?
Hedrick, P. W.
1986-01-01
The equilibrium inbreeding is always higher than the average inbreeding. For human populations with high inbreeding levels, the inbreeding equilibrium is more than 25% higher than the average inbreeding. Assuming no initial inbreeding in the population, the equilibrium inbreeding value is closely approached in 10 generations or less. A secondary effect of this higher inbreeding level is that the equilibrium frequency of recessive detrimental alleles is somewhat lower than expected using avera...
One-group constant libraries for nuclear equilibrium state
Energy Technology Data Exchange (ETDEWEB)
Mizutani, Akihiko; Sekimoto, Hiroshi [Tokyo Inst. of Tech. (Japan). Research Lab. for Nuclear Reactors
1997-03-01
One-group constant libraries for the nuclear equilibrium state were generated for both liquid sodium cooled MOX fuel type fast reactor and PWR type thermal reactor with Equilibrium Cell Iterative Calculation System (ECICS) using JENDL-3.2, -3, -2 and ENDF/B-VI nuclear data libraries. ECICS produced one-group constant sets for 129 heavy metal nuclides and 1238 fission products. (author)
Crossover from Nonequilibrium Fractal Growth to Equilibrium Compact Growth
DEFF Research Database (Denmark)
Sørensen, Erik Schwartz; Fogedby, Hans C.; Mouritsen, Ole G.
1988-01-01
Solidification controlled by vacancy diffusion is studied by Monte Carlo simulations of a two-dimensional Ising model defined by a Hamiltonian which models a thermally driven fluid-solid phase transition. The nonequilibrium morphology of the growing solid is studied as a function of time as the s...... as the system relaxes into equilibrium described by a temperature. At low temperatures the model exhibits fractal growth at early times and crossover to compact solidification as equilibrium is approached....
Topologically protected modes in non-equilibrium stochastic systems
Murugan, Arvind; Vaikuntanathan, Suriyanarayanan
2017-01-01
Non-equilibrium driving of biophysical processes is believed to enable their robust functioning despite the presence of thermal fluctuations and other sources of disorder. Such robust functions include sensory adaptation, enhanced enzymatic specificity and maintenance of coherent oscillations. Elucidating the relation between energy consumption and organization remains an important and open question in non-equilibrium statistical mechanics. Here we report that steady states of systems with non-equilibrium fluxes can support topologically protected boundary modes that resemble similar modes in electronic and mechanical systems. Akin to their electronic and mechanical counterparts, topological-protected boundary steady states in non-equilibrium systems are robust and are largely insensitive to local perturbations. We argue that our work provides a framework for how biophysical systems can use non-equilibrium driving to achieve robust function.
Equilibrium Arrival Times to Queues
DEFF Research Database (Denmark)
Breinbjerg, Jesper; Østerdal, Lars Peter
a symmetric (mixed) Nash equilibrium, and show that there is at most one symmetric equilibrium. We provide a numerical method to compute this equilibrium and demonstrate by a numerical example that the social effciency can be lower than the effciency induced by a similar queueing system that serves customers...
Extended Mixed Vector Equilibrium Problems
Directory of Open Access Journals (Sweden)
Mijanur Rahaman
2014-01-01
Full Text Available We study extended mixed vector equilibrium problems, namely, extended weak mixed vector equilibrium problem and extended strong mixed vector equilibrium problem in Hausdorff topological vector spaces. Using generalized KKM-Fan theorem (Ben-El-Mechaiekh et al.; 2005, some existence results for both problems are proved in noncompact domain.
Equilibrium and non-equilibrium effects in nucleus-nucleus collisions
Bravina, L V; Zabrodin, E E; Bass, S A; Belkacem, M; Bleicher, M; Brandstetter, M; Hofmann, M; Soff, S; Spieles, C; Weber, H; Stockerand, H; Greiner, W
1999-01-01
Local thermal and chemical equilibration is studied for central A+A collisions at 10.7-160 AGeV in the ultrarelativistic quantum molecular dynamics model (UrQMD). The UrQMD model exhibits strong deviations from local equilibrium at the high density hadron-string phase formed during the early stage of the collision. Equilibration of the hadron-resonance matter is established in the central cell of volume V=125 fm/sup 3/ at later stages, t>or=10 fm/c, of the resulting quasi-isentropic expansion. The thermodynamical functions in the cell and their time evolution are presented. Deviations of the UrQMD quasi-equilibrium state from the statistical mechanics equilibrium are found. They increase with energy per baryon and lead to a strong enhancement of the pion number density as compared to statistical mechanics estimates at SPS energies. (38 refs).
Thermodynamic length for far-from-equilibrium quantum systems.
Deffner, Sebastian; Lutz, Eric
2013-02-01
We consider a closed quantum system initially at thermal equilibrium and driven by arbitrary external parameters. We derive a lower bound on the entropy production which we express in terms of the Bures angle between the nonequilibrium and the corresponding equilibrium state of the system. The Bures angle is an angle between mixed quantum states and defines a thermodynamic length valid arbitrarily far from equilibrium. As an illustration, we treat the case of a time-dependent harmonic oscillator for which we obtain analytic expressions for generic driving protocols.
Radiative Bistability and Thermal Memory
Kubytskyi, Viacheslav; Biehs, Svend-Age; Ben-Abdallah, Philippe
2014-08-01
We predict the existence of a thermal bistability in many-body systems out of thermal equilibrium which exchange heat by thermal radiation using insulator-metal transition materials. We propose a writing-reading procedure and demonstrate the possibility to exploit the thermal bistability to make a volatile thermal memory. We show that this thermal memory can be used to store heat and thermal information (via an encoding temperature) for arbitrary long times. The radiative thermal bistability could find broad applications in the domains of thermal management, information processing, and energy storage.
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
General equilibrium without utility functions
DEFF Research Database (Denmark)
Balasko, Yves; Tvede, Mich
2010-01-01
How far can we go in weakening the assumptions of the general equilibrium model? Existence of equilibrium, structural stability and finiteness of equilibria of regular economies, genericity of regular economies and an index formula for the equilibria of regular economies have been known...... and the diffeomorphism of the equilibrium manifold with a Euclidean space; (2) the diffeomorphism of the set of no-trade equilibria with a Euclidean space; (3) the openness and genericity of the set of regular equilibria as a subset of the equilibrium manifold; (4) for small trade vectors, the uniqueness, regularity...... and stability of equilibrium for two version of tatonnement; (5) the pathconnectedness of the sets of stable equilibria....
Particle Sorting and Motility Out of Equilibrium
Sandford, Cato
The theory of equilibrium statistical physics, formulated over a century ago, provides an excellent description of physical systems which have reached a static, relaxed state. Such systems can be loosely thought of as maximally disordered, in keeping with the Second Law of Thermodynamics which states that a thermal system in equilibrium has reached a state of highest entropy. However, many entities in the world around us maintain themselves in an remarkably ordered and dynamic state, and must pay for this by producing entropy in their surroundings. Organisms, for example, convert chemical energy (food) into heat, which is then dumped into the environment, raising its entropy. Systems which produce entropy through any mechanism must be described by theories of non-equilibrium statistical physics, for which there currently exists no unified framework or ontology. Here we examine two specific cases of non-equilibrium phenomena from a theoretical perspective. First, we explore the behaviour of microscopic particles which continually dissipate energy to propel themselves through their environment. Second, we consider how devices which distinguish between different types of particles can exploit non-equilibrium processes to enhance their performance. For the case of self-propelled particles, we consider a theoretical model where the particle's propulsion force has "memory"--it is a random process whose instantaneous value depends on its past evolution. This introduces a persistence in the particle's motion, and requires the dissipation of energy into its surroundings. These particles are found to exhibit a variety of behaviours forbidden in equilibrium systems: for instance they may cluster around barriers, exert unbalanced forces, and sustain steady flows through space. We develop the understanding of these particles' dynamics through a combination of explicit calculations, approximations and numerical simulation which characterise and quantify their non-equilibrium
Anderson, Lawrence S.
1989-01-01
A statistical solution for the problem of non-LTE radiative transfer in the millions of atomic transitions responsible for line blanketing is proposed which takes into account the influence of scattering on the atomic populations. A multifrequency/multigray algorithm is used to analyze the thermal equilibrium. Although CO is shown to cool the upper atmosphere to a boundary temperature of 2640 K, the molecule has little influence in the region of the solar temperature minimum.
Natural gas at thermodynamic equilibrium. Implications for the origin of natural gas.
Mango, Frank D; Jarvie, Daniel; Herriman, Eleanor
2009-06-16
It is broadly accepted that so-called 'thermal' gas is the product of thermal cracking, 'primary' thermal gas from kerogen cracking, and 'secondary' thermal gas from oil cracking. Since thermal cracking of hydrocarbons does not generate products at equilibrium and thermal stress should not bring them to equilibrium over geologic time, we would not expect methane, ethane, and propane to be at equilibrium in subsurface deposits. Here we report compelling evidence of natural gas at thermodynamic equilibrium. Molecular compositions are constrained to equilibrium, [Formula in text] and isotopic compositions are also under equilibrium constraints: [Formula in text].The functions [(CH4)*(C3H8)] and [(C2H6)2] exhibit a strong nonlinear correlation (R2 = 0.84) in which the quotient Q progresses to K as wet gas progresses to dry gas. There are striking similarities between natural gas and catalytic gas generated from marine shales. A Devonian/Mississippian New Albany shale generates gas with Q converging on K over time as wet gas progresses to dry gas at 200 degrees C. The position that thermal cracking is the primary source of natural gas is no longer tenable. It is challenged by its inability to explain the composition of natural gas, natural gases at thermodynamic equilibrium, and by the existence of a catalytic path to gas that better explains gas compositions.
Natural gas at thermodynamic equilibrium Implications for the origin of natural gas
Directory of Open Access Journals (Sweden)
Jarvie Daniel
2009-06-01
Full Text Available Abstract It is broadly accepted that so-called 'thermal' gas is the product of thermal cracking, 'primary' thermal gas from kerogen cracking, and 'secondary' thermal gas from oil cracking. Since thermal cracking of hydrocarbons does not generate products at equilibrium and thermal stress should not bring them to equilibrium over geologic time, we would not expect methane, ethane, and propane to be at equilibrium in subsurface deposits. Here we report compelling evidence of natural gas at thermodynamic equilibrium. Molecular compositions are constrained to equilibrium, and isotopic compositions are also under equilibrium constraints: The functions [(CH4*(C3H8] and [(C2H62] exhibit a strong nonlinear correlation (R2 = 0.84 in which the quotient Q progresses to K as wet gas progresses to dry gas. There are striking similarities between natural gas and catalytic gas generated from marine shales. A Devonian/Mississippian New Albany shale generates gas with Q converging on K over time as wet gas progresses to dry gas at 200°C. The position that thermal cracking is the primary source of natural gas is no longer tenable. It is challenged by its inability to explain the composition of natural gas, natural gases at thermodynamic equilibrium, and by the existence of a catalytic path to gas that better explains gas compositions.
Statistical physics ""Beyond equilibrium
Energy Technology Data Exchange (ETDEWEB)
Ecke, Robert E [Los Alamos National Laboratory
2009-01-01
The scientific challenges of the 21st century will increasingly involve competing interactions, geometric frustration, spatial and temporal intrinsic inhomogeneity, nanoscale structures, and interactions spanning many scales. We will focus on a broad class of emerging problems that will require new tools in non-equilibrium statistical physics and that will find application in new material functionality, in predicting complex spatial dynamics, and in understanding novel states of matter. Our work will encompass materials under extreme conditions involving elastic/plastic deformation, competing interactions, intrinsic inhomogeneity, frustration in condensed matter systems, scaling phenomena in disordered materials from glasses to granular matter, quantum chemistry applied to nano-scale materials, soft-matter materials, and spatio-temporal properties of both ordinary and complex fluids.
Equilibrium models and variational inequalities
Konnov, Igor
2007-01-01
The concept of equilibrium plays a central role in various applied sciences, such as physics (especially, mechanics), economics, engineering, transportation, sociology, chemistry, biology and other fields. If one can formulate the equilibrium problem in the form of a mathematical model, solutions of the corresponding problem can be used for forecasting the future behavior of very complex systems and, also, for correcting the the current state of the system under control. This book presents a unifying look on different equilibrium concepts in economics, including several models from related sciences.- Presents a unifying look on different equilibrium concepts and also the present state of investigations in this field- Describes static and dynamic input-output models, Walras, Cassel-Wald, spatial price, auction market, oligopolistic equilibrium models, transportation and migration equilibrium models- Covers the basics of theory and solution methods both for the complementarity and variational inequality probl...
A non-equilibrium extension of quantum gravity
Mandrin, Pierre A
2016-01-01
A variety of quantum gravity models (including spin foams) can be described using a path integral formulation. A path integral has a well-known statistical mechanical interpretation in connection with a canonical ensemble. In this sense, a path integral describes the thermodynamic equilibrium of a local system in a thermal bath. This interpretation is in contrast to solutions of Einstein's Equations which depart from local thermodynamical equilibrium (one example is shown explicitly). For this reason, we examine an extension of the path integral model to a (locally) non-equilibrium description. As a non-equilibrium description, we propose to use a global microcanonical ensemble with constraints. The constraints reduce the set of admissible microscopic states to be consistent with the macroscopic geometry. We also analyse the relation between the microcanonical description and a statistical approach not based on dynamical assumptions which has been proposed recently. This analysis is of interest for the test o...
Free energy for non-equilibrium quasi-stationary states
Allahverdyan, A. E.; Martirosyan, N. H.
2017-03-01
We study a class of non-equilibrium quasi-stationary states for a Markov system interacting with two different thermal baths. We show that the work done under a slow, external change of parameters admits a potential, i.e., the free energy. Three conditions are needed for the existence of free energy in this non-equilibrium system: time-scale separation between variables of the system, partial controllability (external fields couple only with the slow variable), and an effective detailed balance. These conditions are facilitated in the continuous limit for the slow variable. In contrast to its equilibrium counterpart, the non-equilibrium free energy can increase with temperature. One example of this is that entropy reduction by means of external fields (cooling) can be easier (in the sense of the work cost) if it starts from a higher temperature.
Spacecraft Sterilization Using Non-Equilibrium Atmospheric Pressure Plasma
Cooper, Moogega; Vaze, Nachiket; Anderson, Shawn; Fridman, Gregory; Vasilets, Victor N.; Gutsol, Alexander; Tsapin, Alexander; Fridman, Alexander
2007-01-01
As a solution to chemically and thermally destructive sterilization methods currently used for spacecraft, non-equilibrium atmospheric pressure plasmas are used to treat surfaces inoculated with Bacillus subtilis and Deinococcus radiodurans. Evidence of significant morphological changes and reduction in viability due to plasma exposure will be presented, including a 4-log reduction of B. subtilis after 2 minutes of dielectric barrier discharge treatment.
Equilibrium And Growth Morphologies Of Trinickel Boride Ni3b ...
African Journals Online (AJOL)
The morphology of the trinickel boride Ni3B precipitates during slow cooling in differential thermal analysis (DTA) has been investigated using high resolution electron microscopy (HREM). Due to the large development of the facets of the type {022}, the crystal tends towards an equilibrium morphology whereas the growth ...
Growth and decay of large fluctuations far from equilibrium
Indian Academy of Sciences (India)
Home; Journals; Journal of Chemical Sciences; Volume 121; Issue 5 ... interesting `detailed balance' like condition in the steady state which is manifested in the time reversal symmetry between growth and decay of fluctuation far from equilibrium, similar to what is observed in thermally equilibrated systems, is demonstrated.
Phillips, Rob
2015-03-01
It has been said that the cell is the test tube of the twenty-first century. If so, the theoretical tools needed to quantitatively and predictively describe what goes on in such test tubes lag sorely behind the stunning experimental advances in biology seen in the decades since the molecular biology revolution began. Perhaps surprisingly, one of the theoretical tools that has been used with great success on problems ranging from how cells communicate with their environment and each other to the nature of the organization of proteins and lipids within the cell membrane is statistical mechanics. A knee-jerk reaction to the use of statistical mechanics in the description of cellular processes is that living organisms are so far from equilibrium that one has no business even thinking about it. But such reactions are probably too hasty given that there are many regimes in which, because of a separation of timescales, for example, such an approach can be a useful first step. In this article, we explore the power of statistical mechanical thinking in the biological setting, with special emphasis on cell signaling and regulation. We show how such models are used to make predictions and describe some recent experiments designed to test them. We also consider the limits of such models based on the relative timescales of the processes of interest.
Beyond equilibrium climate sensitivity
Knutti, Reto; Rugenstein, Maria A. A.; Hegerl, Gabriele C.
2017-10-01
Equilibrium climate sensitivity characterizes the Earth's long-term global temperature response to increased atmospheric CO2 concentration. It has reached almost iconic status as the single number that describes how severe climate change will be. The consensus on the 'likely' range for climate sensitivity of 1.5 °C to 4.5 °C today is the same as given by Jule Charney in 1979, but now it is based on quantitative evidence from across the climate system and throughout climate history. The quest to constrain climate sensitivity has revealed important insights into the timescales of the climate system response, natural variability and limitations in observations and climate models, but also concerns about the simple concepts underlying climate sensitivity and radiative forcing, which opens avenues to better understand and constrain the climate response to forcing. Estimates of the transient climate response are better constrained by observed warming and are more relevant for predicting warming over the next decades. Newer metrics relating global warming directly to the total emitted CO2 show that in order to keep warming to within 2 °C, future CO2 emissions have to remain strongly limited, irrespective of climate sensitivity being at the high or low end.
An equilibrium and kinetic modeling
African Journals Online (AJOL)
SERVER
2007-06-18
Jun 18, 2007 ... The Langmuir and Freundlich adsorption models fitted well with the equilibrium data of the process studied. ... followed the first order rate expression. Key words: Penicillin-G wastewater, Phanerochate chrysosporium, equilibrium, kinetic study. ... Ammonia-nitrogen (mg/l). 300 - 500. Total phosphate (mg/l).
Stochastic thermodynamics of quantum maps with and without equilibrium.
Barra, Felipe; Lledó, Cristóbal
2017-11-01
We study stochastic thermodynamics for a quantum system of interest whose dynamics is described by a completely positive trace-preserving (CPTP) map as a result of its interaction with a thermal bath. We define CPTP maps with equilibrium as CPTP maps with an invariant state such that the entropy production due to the action of the map on the invariant state vanishes. Thermal maps are a subgroup of CPTP maps with equilibrium. In general, for CPTP maps, the thermodynamic quantities, such as the entropy production or work performed on the system, depend on the combined state of the system plus its environment. We show that these quantities can be written in terms of system properties for maps with equilibrium. The relations that we obtain are valid for arbitrary coupling strengths between the system and the thermal bath. The fluctuations of thermodynamic quantities are considered in the framework of a two-point measurement scheme. We derive the entropy production fluctuation theorem for general maps and a fluctuation relation for the stochastic work on a system that starts in the Gibbs state. Some simplifications for the probability distributions in the case of maps with equilibrium are presented. We illustrate our results by considering spin 1/2 systems under thermal maps, nonthermal maps with equilibrium, maps with nonequilibrium steady states, and concatenations of them. Finally, and as an important application, we consider a particular limit in which the concatenation of maps generates a continuous time evolution in Lindblad form for the system of interest, and we show that the concept of maps with and without equilibrium translates into Lindblad equations with and without quantum detailed balance, respectively. The consequences for the thermodynamic quantities in this limit are discussed.
Stochastic thermodynamics of quantum maps with and without equilibrium
Barra, Felipe; Lledó, Cristóbal
2017-11-01
We study stochastic thermodynamics for a quantum system of interest whose dynamics is described by a completely positive trace-preserving (CPTP) map as a result of its interaction with a thermal bath. We define CPTP maps with equilibrium as CPTP maps with an invariant state such that the entropy production due to the action of the map on the invariant state vanishes. Thermal maps are a subgroup of CPTP maps with equilibrium. In general, for CPTP maps, the thermodynamic quantities, such as the entropy production or work performed on the system, depend on the combined state of the system plus its environment. We show that these quantities can be written in terms of system properties for maps with equilibrium. The relations that we obtain are valid for arbitrary coupling strengths between the system and the thermal bath. The fluctuations of thermodynamic quantities are considered in the framework of a two-point measurement scheme. We derive the entropy production fluctuation theorem for general maps and a fluctuation relation for the stochastic work on a system that starts in the Gibbs state. Some simplifications for the probability distributions in the case of maps with equilibrium are presented. We illustrate our results by considering spin 1/2 systems under thermal maps, nonthermal maps with equilibrium, maps with nonequilibrium steady states, and concatenations of them. Finally, and as an important application, we consider a particular limit in which the concatenation of maps generates a continuous time evolution in Lindblad form for the system of interest, and we show that the concept of maps with and without equilibrium translates into Lindblad equations with and without quantum detailed balance, respectively. The consequences for the thermodynamic quantities in this limit are discussed.
Non-equilibrium phase transitions
Henkel, Malte; Lübeck, Sven
2009-01-01
This book describes two main classes of non-equilibrium phase-transitions: (a) static and dynamics of transitions into an absorbing state, and (b) dynamical scaling in far-from-equilibrium relaxation behaviour and ageing. The first volume begins with an introductory chapter which recalls the main concepts of phase-transitions, set for the convenience of the reader in an equilibrium context. The extension to non-equilibrium systems is made by using directed percolation as the main paradigm of absorbing phase transitions and in view of the richness of the known results an entire chapter is devoted to it, including a discussion of recent experimental results. Scaling theories and a large set of both numerical and analytical methods for the study of non-equilibrium phase transitions are thoroughly discussed. The techniques used for directed percolation are then extended to other universality classes and many important results on model parameters are provided for easy reference.
A Multiperiod Equilibrium Pricing Model
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Minsuk Kwak
2014-01-01
Full Text Available We propose an equilibrium pricing model in a dynamic multiperiod stochastic framework with uncertain income. There are one tradable risky asset (stock/commodity, one nontradable underlying (temperature, and also a contingent claim (weather derivative written on the tradable risky asset and the nontradable underlying in the market. The price of the contingent claim is priced in equilibrium by optimal strategies of representative agent and market clearing condition. The risk preferences are of exponential type with a stochastic coefficient of risk aversion. Both subgame perfect strategy and naive strategy are considered and the corresponding equilibrium prices are derived. From the numerical result we examine how the equilibrium prices vary in response to changes in model parameters and highlight the importance of our equilibrium pricing principle.
Equilibrium and shot noise in mesoscopic systems
Energy Technology Data Exchange (ETDEWEB)
Martin, T.
1994-10-01
Within the last decade, there has been a resurgence of interest in the study of noise in Mesoscopic devices, both experimentally and theoretically. Noise in solid state devices can have different origins: there is 1/f noise, which is believed to arise from fluctuations in the resistance of the sample due to the motion of impurities. On top of this contribution is a frequency independent component associated with the stochastic nature of electron transport, which will be the focus of this paper. If the sample considered is small enough that dephasing and inelastic effects can be neglected, equilibrium (thermal) and excess noise can be completely described in terms of the elastic scattering properties of the sample. As mentioned above, noise arises as a consequence of random processes governing the transport of electrons. Here, there are two sources of randomness: first, electrons incident on the sample occupy a given energy state with a probability given by the Fermi-Dirac distribution function. Secondly, electrons can be transmitted across the sample or reflected in the same reservoir where they came from with a probability given by the quantum mechanical transmission/reflection coefficients. Equilibrium noise refers to the case where no bias voltage is applied between the leads connected to the sample, where thermal agitation alone allows the electrons close to the Fermi level to tunnel through the sample. In general, equilibrium noise is related to the conductance of the sample via the Johnson-Nyquist formula. In the presence of a bias, in the classical regime, one expects to recover the full shot noise < {Delta}{sup 2}I >= 2I{Delta}{mu} as was observed a long time ago in vacuum diodes. In the Mesoscopic regime, however, excess noise is reduced below the shot noise level. The author introduces a more intuitive picture, where the current passing through the device is a superposition of pulses, or electron wave packets, which can be transmitted or reflected.
Problems of perturbation series in non-equilibrium quantum field theories
Altherr, Tanguy
1994-01-01
In the standard framework of non-equilibrium quantum field theories, the pinch singularities associated to multiple products of \\delta-functions do not cancel in a perturbative expansion unless the particle distributions are those for a system in thermal and chemical equilibrium.
Critical dynamics a field theory approach to equilibrium and non-equilibrium scaling behavior
Täuber, Uwe C
2014-01-01
Introducing a unified framework for describing and understanding complex interacting systems common in physics, chemistry, biology, ecology, and the social sciences, this comprehensive overview of dynamic critical phenomena covers the description of systems at thermal equilibrium, quantum systems, and non-equilibrium systems. Powerful mathematical techniques for dealing with complex dynamic systems are carefully introduced, including field-theoretic tools and the perturbative dynamical renormalization group approach, rapidly building up a mathematical toolbox of relevant skills. Heuristic and qualitative arguments outlining the essential theory behind each type of system are introduced at the start of each chapter, alongside real-world numerical and experimental data, firmly linking new mathematical techniques to their practical applications. Each chapter is supported by carefully tailored problems for solution, and comprehensive suggestions for further reading, making this an excellent introduction to critic...
Non-equilibrium supramolecular polymerization.
Sorrenti, Alessandro; Leira-Iglesias, Jorge; Markvoort, Albert J; de Greef, Tom F A; Hermans, Thomas M
2017-09-18
Supramolecular polymerization has been traditionally focused on the thermodynamic equilibrium state, where one-dimensional assemblies reside at the global minimum of the Gibbs free energy. The pathway and rate to reach the equilibrium state are irrelevant, and the resulting assemblies remain unchanged over time. In the past decade, the focus has shifted to kinetically trapped (non-dissipative non-equilibrium) structures that heavily depend on the method of preparation (i.e., pathway complexity), and where the assembly rates are of key importance. Kinetic models have greatly improved our understanding of competing pathways, and shown how to steer supramolecular polymerization in the desired direction (i.e., pathway selection). The most recent innovation in the field relies on energy or mass input that is dissipated to keep the system away from the thermodynamic equilibrium (or from other non-dissipative states). This tutorial review aims to provide the reader with a set of tools to identify different types of self-assembled states that have been explored so far. In particular, we aim to clarify the often unclear use of the term "non-equilibrium self-assembly" by subdividing systems into dissipative, and non-dissipative non-equilibrium states. Examples are given for each of the states, with a focus on non-dissipative non-equilibrium states found in one-dimensional supramolecular polymerization.
Spontaneity and Equilibrium: Why "?G Equilibrium" Are Incorrect
Raff, Lionel M.
2014-01-01
The fundamental criteria for chemical reactions to be spontaneous in a given direction are generally incorrectly stated as ?G equilibrium are also misstated as being ?G = 0 or ?A = 0. Following a brief review of the…
Thermal conductivity and thermal boundary resistance of nanostructures
Directory of Open Access Journals (Sweden)
Merabia Samy
2011-01-01
Full Text Available Abstract We present a fabrication process of low-cost superlattices and simulations related with the heat dissipation on them. The influence of the interfacial roughness on the thermal conductivity of semiconductor/semiconductor superlattices was studied by equilibrium and non-equilibrium molecular dynamics and on the Kapitza resistance of superlattice's interfaces by equilibrium molecular dynamics. The non-equilibrium method was the tool used for the prediction of the Kapitza resistance for a binary semiconductor/metal system. Physical explanations are provided for rationalizing the simulation results. PACS 68.65.Cd, 66.70.Df, 81.16.-c, 65.80.-g, 31.12.xv
Out of equilibrium process in Ising quantum chains
Energy Technology Data Exchange (ETDEWEB)
Platini, T; Karevski, D [Laboratoire de Physique des Materiaux, UMR CNRS No. 7556, Universite Henri Poincare (Nancy 1), B.P. 239, F-54506 Vandoeuvre les Nancy cedex (France)
2006-05-15
In this paper we present the results obtained concerning the relaxation behaviour of a non equilibrium Ising quantum chain. In particular, we have focues our attention into the transverse magnetization. The out-of-equilibriumness is generated by setting up an initial thermal inhomogeneity. We present two different initial conditions: a completely factorized state, where all the spins are thermalized independently and second a system-bath case, where half of the chain called the system is thermalized at a temperature T{sub s} and the remaining half is at a temperature T{sub b}. In both cases, the magnetization profiles are calculated either analytically or numerically and show a scaling behaviour. It is also found that in the two-temperature case the magnetization relaxes in quantized steps in the strong transverse field region.
Equilibrium with arbitrary market structure
DEFF Research Database (Denmark)
Grodal, Birgit; Vind, Karl
2005-01-01
Fifty years ago Arrow [1] introduced contingent commodities and Debreu [4] observed that this reinterpretation of a commodity was enough to apply the existing general equilibrium theory to uncertainty and time. This interpretation of general equilibrium theory is the Arrow-Debreu model....... The complete market predicted by this theory is clearly unrealistic, and Radner [10] formulated and proved existence of equilibrium in a multiperiod model with incomplete markets. In this paper the Radner result is extended. Radner assumed a specific structure of markets, independence of preferences...
Equilibrium and Orientation in Cephalopods.
Budelmann, Bernd-Ulrich
1980-01-01
Describes the structure of the equilibrium receptor system in cephalopods, comparing it to the vertebrate counterpart--the vestibular system. Relates the evolution of this complex system to the competition of cephalopods with fishes. (CS)
Non-Equilibrium Quantum Dissipation
Segal, Dvira; Reichman, David R.; Millis, Andrew J.
2007-01-01
Dissipative processes in non-equilibrium many-body systems are fundamentally different than their equilibrium counterparts. Such processes are of great importance for the understanding of relaxation in single molecule devices. As a detailed case study, we investigate here a generic spin-fermion model, where a two-level system couples to two metallic leads with different chemical potentials. We present results for the spin relaxation rate in the nonadiabatic limit for an arbitrary coupling to ...
Directory of Open Access Journals (Sweden)
B. Funke
2009-04-01
Full Text Available We present global distributions of carbon monoxide (CO from the upper troposphere to the mesosphere observed by the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS on Envisat. Vertically resolved volume mixing ratio profiles have been retrieved from 4.7 μm limb emission spectra under consideration of non-local thermodynamic equilibrium. The precision of individual CO profiles is typically 5–30 ppbv (15–40% for altitudes greater than 40 km and lower than 15 km and 30–90% within 15–40 km. Estimated systematic errors are in the order of 8–15%. Below 60 km, the vertical resolution is 4–7 km. The data set which covers 54 days from September 2003 to March 2004 has been derived with an improved retrieval version including (i the retrieval of log(vmr, (ii the consideration of illumination-dependent vibrational population gradients along the instrument's line of sight, and (iii joint-fitted vmr horizontal gradients in latitudinal and longitudinal directions. A detailed analysis of spatially resolved CO distributions during the 2003/2004 Northern Hemisphere major warming event demonstrate the potential of MIPAS CO observations to obtain new information on transport processes during dynamical active episodes, particularly on those acting in the vertical. From the temporal evolution of zonally averaged CO abundances, we derived extraordinary polar winter descent velocities of 1200 m per day inside the recovered polar vortex in January 2004. Middle stratospheric CO abundances show a well established correlation with the chemical source CH_{4}, particularly in the tropics. In the upper troposphere, a moderate CO decrease from September 2003 to March 2004 was observed. Upper tropospheric CO observations provide a detailed picture of long-range transport of polluted air masses and uplift events. MIPAS observations taken on 9–11 September 2003 confirm the trapping of convective outflow of polluted CO-rich air from
Mathematical theory of non-equilibrium quantum statistical mechanics
Jaksic, V
2001-01-01
We review and further develop a mathematical framework for non-equilibrium quantum statistical mechanics recently proposed in [JP4, JP5, JP6, Ru3, Ru4, Ru5, Ru6]. In the algebraic formalism of quantum statistical mechanics we introduce notions of non-equilibrium steady states, entropy production and heat fluxes, and study their properties. Our basic paradigm is a model of a small (finite) quantum system coupled to several independent thermal reservoirs. We exhibit examples of such systems which have strictly positive entropy production.
Directory of Open Access Journals (Sweden)
Ramon F. Alvarez-Estrada
2012-02-01
Full Text Available We consider non-equilibrium open statistical systems, subject to potentials and to external “heat baths” (hb at thermal equilibrium at temperature T (either with ab initio dissipation or without it. Boltzmann’s classical equilibrium distributions generate, as Gaussian weight functions in momenta, orthogonal polynomials in momenta (the position-independent Hermite polynomialsHn’s. The moments of non-equilibrium classical distributions, implied by the Hn’s, fulfill a hierarchy: for long times, the lowest moment dominates the evolution towards thermal equilibrium, either with dissipation or without it (but under certain approximation. We revisit that hierarchy, whose solution depends on operator continued fractions. We review our generalization of that moment method to classical closed many-particle interacting systems with neither a hb nor ab initio dissipation: with initial states describing thermal equilibrium at T at large distances but non-equilibrium at finite distances, the moment method yields, approximately, irreversible thermalization of the whole system at T, for long times. Generalizations to non-equilibrium quantum interacting systems meet additional difficulties. Three of them are: (i equilibrium distributions (represented through Wigner functions are neither Gaussian in momenta nor known in closed form; (ii they may depend on dissipation; and (iii the orthogonal polynomials in momenta generated by them depend also on positions. We generalize the moment method, dealing with (i, (ii and (iii, to some non-equilibrium one-particle quantum interacting systems. Open problems are discussed briefly.
Shape characteristics of equilibrium and non-equilibrium fractal clusters.
Mansfield, Marc L; Douglas, Jack F
2013-07-28
It is often difficult in practice to discriminate between equilibrium and non-equilibrium nanoparticle or colloidal-particle clusters that form through aggregation in gas or solution phases. Scattering studies often permit the determination of an apparent fractal dimension, but both equilibrium and non-equilibrium clusters in three dimensions frequently have fractal dimensions near 2, so that it is often not possible to discriminate on the basis of this geometrical property. A survey of the anisotropy of a wide variety of polymeric structures (linear and ring random and self-avoiding random walks, percolation clusters, lattice animals, diffusion-limited aggregates, and Eden clusters) based on the principal components of both the radius of gyration and electric polarizability tensor indicates, perhaps counter-intuitively, that self-similar equilibrium clusters tend to be intrinsically anisotropic at all sizes, while non-equilibrium processes such as diffusion-limited aggregation or Eden growth tend to be isotropic in the large-mass limit, providing a potential means of discriminating these clusters experimentally if anisotropy could be determined along with the fractal dimension. Equilibrium polymer structures, such as flexible polymer chains, are normally self-similar due to the existence of only a single relevant length scale, and are thus anisotropic at all length scales, while non-equilibrium polymer structures that grow irreversibly in time eventually become isotropic if there is no difference in the average growth rates in different directions. There is apparently no proof of these general trends and little theoretical insight into what controls the universal anisotropy in equilibrium polymer structures of various kinds. This is an obvious topic of theoretical investigation, as well as a matter of practical interest. To address this general problem, we consider two experimentally accessible ratios, one between the hydrodynamic and gyration radii, the other
Exploring the Gap between Perfect Bayesian Equilibrium and Sequential Equilibrium
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Giacomo Bonanno
2016-11-01
Full Text Available In (Bonanno, 2013, a solution concept for extensive-form games, called perfect Bayesian equilibrium (PBE, was introduced and shown to be a strict refinement of subgame-perfect equilibrium; it was also shown that, in turn, sequential equilibrium (SE is a strict refinement of PBE. In (Bonanno, 2016, the notion of PBE was used to provide a characterization of SE in terms of a strengthening of the two defining components of PBE (besides sequential rationality, namely AGM consistency and Bayes consistency. In this paper we explore the gap between PBE and SE by identifying solution concepts that lie strictly between PBE and SE; these solution concepts embody a notion of “conservative” belief revision. Furthermore, we provide a method for determining if a plausibility order on the set of histories is choice measurable, which is a necessary condition for a PBE to be a SE.
Fluctuations in Hertz chains at equilibrium.
Przedborski, Michelle; Sen, Surajit; Harroun, Thad A
2017-03-01
We examine the long-term behavior of nonintegrable, energy-conserved, one-dimensional systems of macroscopic grains interacting via a contact-only generalized Hertz potential and held between stationary walls. Such systems can be set up to have no phononic background excitation and represent examples of a sonic vacuum. Existing dynamical studies showed the absence of energy equipartitioning in such systems, hence their long-term dynamics was described as quasiequilibrium. Here we show that these systems do in fact reach thermal equilibrium at sufficiently long times, as indicated by the calculated heat capacity. As a by-product, we show how fluctuations of system quantities, and thus the distribution functions, are influenced by the Hertz potential. In particular, the variance of the system's kinetic energy probability density function is reduced by a factor related to the contact potential.
Local Equilibrium and Retardation Revisited.
Hansen, Scott K; Vesselinov, Velimir V
2018-01-01
In modeling solute transport with mobile-immobile mass transfer (MIMT), it is common to use an advection-dispersion equation (ADE) with a retardation factor, or retarded ADE. This is commonly referred to as making the local equilibrium assumption (LEA). Assuming local equilibrium, Eulerian textbook treatments derive the retarded ADE, ostensibly exactly. However, other authors have presented rigorous mathematical derivations of the dispersive effect of MIMT, applicable even in the case of arbitrarily fast mass transfer. We resolve the apparent contradiction between these seemingly exact derivations by adopting a Lagrangian point of view. We show that local equilibrium constrains the expected time immobile, whereas the retarded ADE actually embeds a stronger, nonphysical, constraint: that all particles spend the same amount of every time increment immobile. Eulerian derivations of the retarded ADE thus silently commit the gambler's fallacy, leading them to ignore dispersion due to mass transfer that is correctly modeled by other approaches. We then present a particle tracking simulation illustrating how poor an approximation the retarded ADE may be, even when mobile and immobile plumes are continually near local equilibrium. We note that classic "LEA" (actually, retarded ADE validity) criteria test for insignificance of MIMT-driven dispersion relative to hydrodynamic dispersion, rather than for local equilibrium. Published 2017. This article is a U.S. Government work and is in the public domain in the USA.
Equilibrium reconstruction for Single Helical Axis reversed field pinch plasmas
Martines, Emilio; Momo, Barbara; Terranova, David; Zanca, Paolo; Alfier, Alberto; Bonomo, Federica; Canton, Alessandra; Fassina, Alessandro; Franz, Paolo; Innocente, Paolo
2011-01-01
Single Helical Axis (SHAx) configurations are emerging as the natural state for high current reversed field pinch (RFP) plasmas. These states feature the presence of transport barriers in the core plasma. Here we present a method for computing the equilibrium magnetic surfaces for these states in the force-free approximation, which has been implemented in the SHEq code. The method is based on the superposition of a zeroth order axisymmetric equilibrium and of a first order helical perturbation computed according to Newcomb's equation supplemented with edge magnetic field measurements. The mapping of the measured electron temperature profiles, soft X-ray emission and interferometric density measurements on the computed magnetic surfaces demonstrates the quality of the equilibrium reconstruction. The procedure for computing flux surface averages is illustrated, and applied to the evaluation of the thermal conductivity profile. The consistency of the evaluated equilibria with Ohm's law is also discussed.
Equilibrium reconstruction for single helical axis reversed field pinch plasmas
Energy Technology Data Exchange (ETDEWEB)
Martines, E; Lorenzini, R; Momo, B; Terranova, D; Zanca, P; Alfier, A; Bonomo, F; Canton, A; Fassina, A; Franz, P; Innocente, P, E-mail: emilio.martines@igi.cnr.it [Consorzio RFX, Associazione Euratom-ENEA sulla Fusione, corso Stati Uniti 4, 35127 Padova (Italy)
2011-03-15
Single helical axis configurations are emerging as the natural state for high-current reversed field pinch plasmas. These states feature the presence of transport barriers in the core plasma. Here we present a method for computing the equilibrium magnetic surfaces for these states in the force-free approximation, which has been implemented in the SHEq code. The method is based on the superposition of a zeroth-order axisymmetric equilibrium and of a first-order helical perturbation computed according to Newcomb's equation supplemented with edge magnetic field measurements. The mapping of the measured electron temperature profiles, soft x-ray emission and interferometric density measurements on the computed magnetic surfaces demonstrates the quality of the equilibrium reconstruction. The procedure for computing flux surface averages is illustrated, and applied to the evaluation of the thermal conductivity profile. The consistency of the evaluated equilibria with Ohm's law is also discussed.
Chemical Principles Revisited: Using the Equilibrium Concept.
Mickey, Charles D., Ed.
1981-01-01
Discusses the concept of equilibrium in chemical systems, particularly in relation to predicting the position of equilibrium, predicting spontaneity of a reaction, quantitative applications of the equilibrium constant, heterogeneous equilibrium, determination of the solubility product constant, common-ion effect, and dissolution of precipitates.…
The Equilibrium Rule--A Personal Discovery
Hewitt, Paul G.
2016-01-01
Examples of equilibrium are evident everywhere and the equilibrium rule provides a reasoned way to view all things, whether in static (balancing rocks, steel beams in building construction) or dynamic (airplanes, bowling balls) equilibrium. Interestingly, the equilibrium rule applies not just to objects at rest but whenever any object or system of…
Nash equilibrium with lower probabilities
DEFF Research Database (Denmark)
Groes, Ebbe; Jacobsen, Hans Jørgen; Sloth, Birgitte
1998-01-01
We generalize the concept of Nash equilibrium in mixed strategies for strategic form games to allow for ambiguity in the players' expectations. In contrast to other contributions, we model ambiguity by means of so-called lower probability measures or belief functions, which makes it possible...... to distinguish between a player's assessment of ambiguity and his attitude towards ambiguity. We also generalize the concept of trembling hand perfect equilibrium. Finally, we demonstrate that for certain attitudes towards ambiguity it is possible to explain cooperation in the one-shot Prisoner's Dilemma...
Quantum many-body systems out of equilibrium
Eisert, J.; Friesdorf, M.; Gogolin, Christian
2014-01-01
How do closed quantum many-body systems driven out of equilibrium eventually achieve equilibration? And how do these systems thermalize, given that they comprise so many degrees of freedom? Progress in answering these—and related— questions has accelerated in recent years—a trend that can be partially attributed to success with experiments performing quantum simulations using ultracold atoms and trapped ions. Here we provide an overview of this progress, specifically in studies pr...
Alternatives to eigenstate thermalization.
Rigol, Marcos; Srednicki, Mark
2012-03-16
An isolated quantum many-body system in an initial pure state will come to thermal equilibrium if it satisfies the eigenstate thermalization hypothesis (ETH). We consider alternatives to ETH that have been proposed. We first show that von Neumann's quantum ergodic theorem relies on an assumption that is essentially equivalent to ETH. We also investigate whether, following a sudden quench, special classes of pure states can lead to thermal behavior in systems that do not obey ETH, namely, integrable systems. We find examples of this, but only for initial states that obeyed ETH before the quench.
Indian Academy of Sciences (India)
Home; Journals; Resonance – Journal of Science Education; Volume 3; Issue 7. Game Theory - Nash Equilibrium. P G Babu. General Article Volume 3 Issue 7 July 1998 pp 53- ... Author Affiliations. P G Babu1. Indira Gandhi Institute of Development Research Gen. A K Vaidya Marg Goregaon(East) Mumbai 400 065, India.
Equilibrium theory : A salient approach
Schalk, S.
1999-01-01
Whereas the neoclassical models in General Equilibrium Theory focus on the existence of separate commodities, this thesis regards 'bundles of trade' as the unit objects of exchange. Apart from commodities and commodity bundles in the neoclassical sense, the term `bundle of trade' includes, for
Incentives in Supply Function Equilibrium
DEFF Research Database (Denmark)
Vetter, Henrik
2014-01-01
The author analyses delegation in homogenous duopoly under the assumption that the firm-managers compete in supply functions. In supply function equilibrium, managers’ decisions are strategic complements. This reverses earlier findings in that the author finds that owners give managers incentives...
Risk premia in general equilibrium
DEFF Research Database (Denmark)
Posch, Olaf
solutions of dynamic stochastic general equilibrium models, including a novel solution with endogenous labor supply, to obtain closed-form expressions for the risk premium in production economies. We find that the curvature of the policy functions affects the risk premium through controlling the individual...
Energy Conservation, Counting Statistics, and Return to Equilibrium
Jakšić, Vojkan; Panangaden, Jane; Panati, Annalisa; Pillet, Claude-Alain
2015-07-01
We study a microscopic Hamiltonian model describing an N-level quantum system coupled to an infinitely extended thermal reservoir . Initially, the system is in an arbitrary state while the reservoir is in thermal equilibrium at inverse temperature . Assuming that the coupled system is mixing with respect to the joint thermal equilibrium state, we study the Full Counting Statistics (FCS) of the energy transfers and in the process of return to equilibrium. The first FCS describes the increase of the energy of the system . It is an atomic probability measure, denoted , concentrated on the set of energy differences ( is the Hamiltonian of , t is the length of the time interval during which the measurement of the energy transfer is performed, and is the strength of the interaction between and ). The second FCS, , describes the decrease of the energy of the reservoir and is typically a continuous probability measure whose support is the whole real line. We study the large time limit of these two measures followed by the weak coupling limit and prove that the limiting measures coincide. This result strengthens the first law of thermodynamics for open quantum systems. The proofs are based on modular theory of operator algebras and on a representation of by quantum transfer operators.
Non-Equilibrium Properties from Equilibrium Free Energy Calculations
Pohorille, Andrew; Wilson, Michael A.
2012-01-01
Calculating free energy in computer simulations is of central importance in statistical mechanics of condensed media and its applications to chemistry and biology not only because it is the most comprehensive and informative quantity that characterizes the eqUilibrium state, but also because it often provides an efficient route to access dynamic and kinetic properties of a system. Most of applications of equilibrium free energy calculations to non-equilibrium processes rely on a description in which a molecule or an ion diffuses in the potential of mean force. In general case this description is a simplification, but it might be satisfactorily accurate in many instances of practical interest. This hypothesis has been tested in the example of the electrodiffusion equation . Conductance of model ion channels has been calculated directly through counting the number of ion crossing events observed during long molecular dynamics simulations and has been compared with the conductance obtained from solving the generalized Nernst-Plank equation. It has been shown that under relatively modest conditions the agreement between these two approaches is excellent, thus demonstrating the assumptions underlying the diffusion equation are fulfilled. Under these conditions the electrodiffusion equation provides an efficient approach to calculating the full voltage-current dependence routinely measured in electrophysiological experiments.
Equilibrium and Non-Equilibrium Condensation Phenomena in Tuneable 3D and 2D Bose Gases
2016-04-01
AFRL-AFOSR-UK-TR-2016-0009 Equilibrium and non- equilibrium condensation phenomena in tuneable 3D and 2D Bose gases Zoran Hadzibabic THE CHANCELLOR...31-Aug-2015 4. TITLE AND SUBTITLE Equilibrium and non- equilibrium condensation phenomena in tuneable 3D and 2D Bose gases 5a. CONTRACT NUMBER... equilibrium and non- equilibrium many-body phenomena, trapping ultracold atomic gases in different geometries including both 3 and 2 spatial dimensions
Protonation Equilibrium of Linear Homopolyacids
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Požar J.
2015-07-01
Full Text Available The paper presents a short summary of investigations dealing with protonation equilibrium of linear homopolyacids, in particularly those of high charge density. Apart from the review of experimental results which can be found in the literature, a brief description of theoretical models used in processing the dependence of protonation constants on monomer dissociation degree and ionic strength is given (cylindrical model based on Poisson-Boltzmann equation, cylindrical Stern model, the models according to Ising, Högfeldt, Mandel and Katchalsky. The applicability of these models regarding the polyion charge density, electrolyte concentration and counterion type is discussed. The results of Monte Carlo simulations of protonation equilibrium are also briefly mentioned. In addition, frequently encountered errors connected with calibration of of glass electrode and the related unreliability of determined protonation constants are pointed out.
Nash Equilibrium in Social Media
Salehisadaghiani, Farzad
2017-01-01
In this work, we investigate an application of a Nash equilibrium seeking algorithm in a social network. In a networked game each player (user) takes action in response to other players' actions in order to decrease (increase) his cost (profit) in the network. We assume that the players' cost functions are not necessarily dependent on the actions of all players. This is due to better mimicking the standard social media rules. A communication graph is defined for the game through which players...
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
Ascending auctions and Walrasian equilibrium
Ben-Zwi, Oren; Lavi, Ron; Newman, Ilan
2013-01-01
We present a family of submodular valuation classes that generalizes gross substitute. We show that Walrasian equilibrium always exist for one class in this family, and there is a natural ascending auction which finds it. We prove some new structural properties on gross-substitute auctions which, in turn, show that the known ascending auctions for this class (Gul-Stacchetti and Ausbel) are, in fact, identical. We generalize these two auctions, and provide a simple proof that they terminate in...
Punctuated equilibrium comes of age
Gould, Stephan Jay; Eldredge, Niles
1993-11-01
The intense controversies that surrounded the youth of punctuated equilibrium have helped it mature to a useful extension of evolutionary theory. As a complement to phyletic gradualism, its most important implications remain the recognition of stasis as a meaningful and predominant pattern within the history of species, and in the recasting of macroevolution as the differential success of certain species (and their descendants) within clades.
Experimental studies in non-equilibrium physics
Cressman, John Robert, Jr.
This work is a collection of three experiments aimed at studying different facets of non-equilibrium dynamics. Chapter I concerns strongly compressible turbulence, which turns out to be very different from incompressible turbulence. The focus is on the dispersion of contaminants in such a flow. This type of turbulence can be studied, at very low mach number, by measuring the velocity fields of particles that float on a turbulently stirred body of water. It turns out that in the absence of incompressibility, the turbulence causes particles to cluster rather than to disperse. The implications of the observations are far reaching and include the transport of pollutants on the oceans surface, phytoplankton growth, as well as industrial applications. Chapter II deals with the effects of polymer additives on drag reduction and turbulent suppression, a well-known phenomenon that is not yet understood. In an attempt to simplify the problem, the effects of a polymer additive were investigated in a vortex street formed in a flowing soap film. Measurements suggest that an increase in elongational viscosity is responsible for a substantial reduction in periodic velocity fluctuations. This study also helps to illuminate the mechanism responsible for vortex separation in the wake of a bluff body. Chapter III describes an experiment designed to test a theoretical approach aimed at generalizing the classical fluctuation dissipation theorem (FDT). This theorem applies to systems driven only slightly away from thermal equilibrium, whereas ours, a liquid crystal under-going electroconvection, is so strongly driven, that the FDT does not apply. Both theory and experiment focus on the flux in global power fluctuations. Physical limitations did not permit a direct test of the theory, however it was possible to establish several interesting characteristics of the system: the source of the fluctuations is the transient defect structures that are generated when the system is driven hard
Local equilibrium in bird flocks
Mora, Thierry; Walczak, Aleksandra M.; Del Castello, Lorenzo; Ginelli, Francesco; Melillo, Stefania; Parisi, Leonardo; Viale, Massimiliano; Cavagna, Andrea; Giardina, Irene
2016-12-01
The correlated motion of flocks is an example of global order emerging from local interactions. An essential difference with respect to analogous ferromagnetic systems is that flocks are active: animals move relative to each other, dynamically rearranging their interaction network. This non-equilibrium characteristic has been studied theoretically, but its impact on actual animal groups remains to be fully explored experimentally. Here, we introduce a novel dynamical inference technique, based on the principle of maximum entropy, which accommodates network rearrangements and overcomes the problem of slow experimental sampling rates. We use this method to infer the strength and range of alignment forces from data of starling flocks. We find that local bird alignment occurs on a much faster timescale than neighbour rearrangement. Accordingly, equilibrium inference, which assumes a fixed interaction network, gives results consistent with dynamical inference. We conclude that bird orientations are in a state of local quasi-equilibrium over the interaction length scale, providing firm ground for the applicability of statistical physics in certain active systems.
Thermal transport in out-of-equilibrium quantum harmonic chains.
Nicacio, F; Ferraro, A; Imparato, A; Paternostro, M; Semião, F L
2015-04-01
We address the problem of heat transport in a chain of coupled quantum harmonic oscillators, exposed to the influences of local environments of various nature, stressing the effects that the specific nature of the environment has on the phenomenology of the transport process. We study in detail the behavior of thermodynamically relevant quantities such as heat currents and mean energies of the oscillators, establishing rigorous analytical conditions for the existence of a steady state, whose features we analyze carefully. In particular, we assess the conditions that should be faced to recover trends reminiscent of the classical Fourier law of heat conduction and highlight how such a possibility depends on the environment linked to our system.
Quantum statistical theory of semiconductor junctions in thermal equilibrium
Von Roos, O.
1977-01-01
Free carrier and electric field distributions of one-dimensional semiconductor junctions are evaluated using a quantum mechanical phase-space distribution and its corresponding Boltzmann equation. Attention is given to quantum and exchange corrections in cases of high doping concentrations when carrier densities become degenerate. Quantitative differences between degenerate and classical junction characteristics, e.g., maximum electric field and built-in voltage and carrier concentration within the transition region, are evaluated numerically.
Thermal transport in out-of-equilibrium quantum harmonic chains
Nicacio, F.; Ferraro, A.; Imparato, A.; Paternostro, M.; Semião, F. L.
2015-04-01
We address the problem of heat transport in a chain of coupled quantum harmonic oscillators, exposed to the influences of local environments of various nature, stressing the effects that the specific nature of the environment has on the phenomenology of the transport process. We study in detail the behavior of thermodynamically relevant quantities such as heat currents and mean energies of the oscillators, establishing rigorous analytical conditions for the existence of a steady state, whose features we analyze carefully. In particular, we assess the conditions that should be faced to recover trends reminiscent of the classical Fourier law of heat conduction and highlight how such a possibility depends on the environment linked to our system.
The Geometry of Finite Equilibrium Datasets
DEFF Research Database (Denmark)
Balasko, Yves; Tvede, Mich
We investigate the geometry of finite datasets defined by equilibrium prices, income distributions, and total resources. We show that the equilibrium condition imposes no restrictions if total resources are collinear, a property that is robust to small perturbations. We also show that the set...... of equilibrium datasets is pathconnected when the equilibrium condition does impose restrictions on datasets, as for example when total resources are widely non collinear....
Accelerating Multiagent Reinforcement Learning by Equilibrium Transfer.
Hu, Yujing; Gao, Yang; An, Bo
2015-07-01
An important approach in multiagent reinforcement learning (MARL) is equilibrium-based MARL, which adopts equilibrium solution concepts in game theory and requires agents to play equilibrium strategies at each state. However, most existing equilibrium-based MARL algorithms cannot scale due to a large number of computationally expensive equilibrium computations (e.g., computing Nash equilibria is PPAD-hard) during learning. For the first time, this paper finds that during the learning process of equilibrium-based MARL, the one-shot games corresponding to each state's successive visits often have the same or similar equilibria (for some states more than 90% of games corresponding to successive visits have similar equilibria). Inspired by this observation, this paper proposes to use equilibrium transfer to accelerate equilibrium-based MARL. The key idea of equilibrium transfer is to reuse previously computed equilibria when each agent has a small incentive to deviate. By introducing transfer loss and transfer condition, a novel framework called equilibrium transfer-based MARL is proposed. We prove that although equilibrium transfer brings transfer loss, equilibrium-based MARL algorithms can still converge to an equilibrium policy under certain assumptions. Experimental results in widely used benchmarks (e.g., grid world game, soccer game, and wall game) show that the proposed framework: 1) not only significantly accelerates equilibrium-based MARL (up to 96.7% reduction in learning time), but also achieves higher average rewards than algorithms without equilibrium transfer and 2) scales significantly better than algorithms without equilibrium transfer when the state/action space grows and the number of agents increases.
The geometry of finite equilibrium sets
DEFF Research Database (Denmark)
Balasko, Yves; Tvede, Mich
2009-01-01
We investigate the geometry of finite datasets defined by equilibrium prices, income distributions, and total resources. We show that the equilibrium condition imposes no restrictions if total resources are collinear, a property that is robust to small perturbations. We also show that the set...... of equilibrium datasets is pathconnected when the equilibrium condition does impose restrictions on datasets, as for example when total resources are widely noncollinear....
Entanglement Thermalization and Local Conservation Laws
Zhang, Liangsheng; Kim, Hyungwon; Huse, David
2015-03-01
We study the thermalization of entanglement entropy in one-dimensional spin chains under the unitary dynamics of a nonintegrable Hamiltonian or periodic driving by Floquet operators. Using full diagonalization of the Hamiltonian matrix and the Floquet operators, we analyze the time evolution of entanglement entropy starting from various initial conditions, including initial states with entanglement in excess of the thermal equilibrium value. It is found that the thermalization of entanglement entropy is coupled to local conservation laws when approaching equilibrium, and the absence of conservation laws in the Floquet system allows the entanglement entropy to thermalize more rapidly than it does in the corresponding Hamiltonian.
Open problems in non-equilibrium physics
Energy Technology Data Exchange (ETDEWEB)
Kusnezov, D.
1997-09-22
The report contains viewgraphs on the following: approaches to non-equilibrium statistical mechanics; classical and quantum processes in chaotic environments; classical fields in non-equilibrium situations: real time dynamics at finite temperature; and phase transitions in non-equilibrium conditions.
The concept of equilibrium in organization theory
Gazendam, Henk W.M.
1997-01-01
Many organization theories consist of an interpretation frame and an idea about the ideal equilibrium state. This article explains how the equilibrium concept is used in four organization theories: the theories of Fayol, Mintzberg, Morgan, and Volberda. Equilibrium can be defined as balance, fit or
The concept of equilibrium in organization theory
Gazendam, H.W.M.
1998-01-01
Many organization theories consist of an interpretation frame and an idea about the ideal equilibrium state. This article explains how the equilibrium concept is used in four organization theories: the theories of Fayol, Mintzberg, Morgan, and Volberda. Equilibrium can be defined as balance, fit or
Libby, Stephen B.; Harte, Judith A.; Marinak, Michael M.; Zimmerman, George B.; Graziani, Frank R.; Fournier, Kevin B.; More, Richard M.; Kato, Takako; Faussurier, Gerald
2000-10-01
Recently*, we have proposed the idea of treating quasi-steady NLTE phenomena through the computation of the linear response of an LTE plasma to non-Planckian perturbations. This leads to the result that a single redistribution response matrix in radiation group (frequency) space controls all possible small NLTE deviations from a given LTE state. Furthermore, this matrix is shown to obey useful Onsager reciprocity constraints. In this talk, we will describe both recently derived properties of the response matrix, and its application to computing the behaviors of hot dense plasmas. * Libby, S. B. , Graziani, F. R., More, R. M., and Kato, T., in Laser Interaction and Related Plasma Phenomena: 13th International Conference, G. H. Miley and E. M. Campbell . Eds., AIP #CP406, 1997. More, R. M., in Atomic and Molecular Physics of Controlled Thermonuclear Fusion, C. Joachain and D. Post, Eds., Plenum Publishing Corp., pp. 399-440, (1983). Faussurier, G., and More, R.M., JQSRT, 65, 387-391, (2000). More, R.M., and Kato, T. Phys. Rev. Lett., 81 814, (1998).
Simplified method for calculation of equilibrium plasma composition
Rydalevskaya, Maria A.
2017-06-01
In this work, a simplified method for the evaluation of equilibrium composition of plasmas consisted of monoatomic species is proposed. Multicomponent gas systems resulting from thermal ionization of spatially uniform mixtures are assumed enough rarefied to be treated as ideal gases even after multiple ionization steps. The method developed for the calculation of equilibrium composition of these mixtures makes use of the fundamental principles of statistical physics. Equilibrium concentrations of mixture components are determined by integration of distribution functions over the space of momentum and summation over electronic energy levels. These functions correspond to the entropy maximum. To determine unknown parameters, the systems of equations corresponding to the normalization conditions are derived. It is shown that the systems may be reduced to one algebraic equation if the equilibrium temperature is known. Numeral method to solve this equation is proposed. Special attention is given to the ionized mixtures, generated from the atoms of a single chemical species and the situations, when in the gas only the first- or the first- and second-order ionization are possible.
Trapped ion system for sympathetic cooling and non-equilibrium dynamics
Doret, Charlie; Jubin, Sierra; Stevenson, Sarah
2017-04-01
Atomic systems are superbly suited to the study of non-equilibrium dynamics. These systems' exquisite isolation from environmental perturbations leads to long relaxation times that enable exploration of far-from-equilibrium phenomena. We present progress towards trapping chains of multiple co-trapped calcium isotopes geared towards measuring thermal equilibration and sympathetic cooling rates. We also discuss plans for future experiments in non-equilibrium statistical mechanics, including exploration of the quantum-to-classical crossover between ballistic transport and diffusive, Fourier's Law conduction. This work is supported by Cottrell College Science Award from the Research Corporation for Science Advancement and by Williams College.
Silverberg, Lee J.; Raff, Lionel M.
2015-01-01
Thermodynamic spontaneity-equilibrium criteria require that in a single-reaction system, reactions in either the forward or reverse direction at equilibrium be nonspontaneous. Conversely, the concept of dynamic equilibrium holds that forward and reverse reactions both occur at equal rates at equilibrium to the extent allowed by kinetic…
Existence of collateral Equilibrium without survival assumption
Directory of Open Access Journals (Sweden)
Jaime Orrillo
2011-03-01
Full Text Available This paper shows the existence of a collateral equilibrium without assuming any hypotheses on the strict positivity, be they individual initial endowments, including the ex post initial endowments, or aggregated initial endowments. Because of dropping the strict positivity of social initial endowment we fail to get an equilibrium. Instead, we get a quasi-equilibrium. Then, appealing to the concept of irreducibility (introduced by McKenzie in 1959 which is adapted to the collateral model, we show that the quasi-equilibrium is indeed a legitime equilibrium.
[Hardy-Weinberg equilibrium in genetic epidemiology].
Liu, Hong; Hu, Yonghua
2010-01-01
Hardy-Weinberg equilibrium test is the base of genetic epidemiology. The new methods for Hardy-Weinberg equilibrium test involve: X chromosome-linked single nucleotide polymorphism Hardy-Weinberg test, inbreeding coefficient (F) test, an incomplete enumeration algorithm for an exact test of Hardy-Weinberg proportions with multiple alleles, and graphical tests for Hardy-Weinberg equilibrium based on the ternary plot. It is necessary to conduct Hardy-Weinberg equilibrium test in genetic epidemiology studies and adjust the associations as deviation of Hardy-Weinberg equilibrium occurs.
Equilibrium & Nonequilibrium Fluctuation Effects in Biopolymer Networks
Kachan, Devin Michael
Fluctuation-induced interactions are an important organizing principle in a variety of soft matter systems. In this dissertation, I explore the role of both thermal and active fluctuations within cross-linked polymer networks. The systems I study are in large part inspired by the amazing physics found within the cytoskeleton of eukaryotic cells. I first predict and verify the existence of a thermal Casimir force between cross-linkers bound to a semi-flexible polymer. The calculation is complicated by the appearance of second order derivatives in the bending Hamiltonian for such polymers, which requires a careful evaluation of the the path integral formulation of the partition function in order to arrive at the physically correct continuum limit and properly address ultraviolet divergences. I find that cross linkers interact along a filament with an attractive logarithmic potential proportional to thermal energy. The proportionality constant depends on whether and how the cross linkers constrain the relative angle between the two filaments to which they are bound. The interaction has important implications for the synthesis of biopolymer bundles within cells. I model the cross-linkers as existing in two phases: bound to the bundle and free in solution. When the cross-linkers are bound, they behave as a one-dimensional gas of particles interacting with the Casimir force, while the free phase is a simple ideal gas. Demanding equilibrium between the two phases, I find a discontinuous transition between a sparsely and a densely bound bundle. This discontinuous condensation transition induced by the long-ranged nature of the Casimir interaction allows for a similarly abrupt structural transition in semiflexible filament networks between a low cross linker density isotropic phase and a higher cross link density bundle network. This work is supported by the results of finite element Brownian dynamics simulations of semiflexible filaments and transient cross-linkers. I
Rheology modulated non-equilibrium fluctuations in time-dependent diffusion processes
Maity, Debonil; Bandopadhyay, Aditya; Chakraborty, Suman
2016-11-01
The effect of non-Newtonian rheology, manifested through a viscoelastic linearized Maxwell model, on the time-dependent non-equilibrium concentration fluctuations due to free diffusion as well as thermal diffusion of a species is analyzed theoretically. Contrary to the belief that non-equilibrium Rayleigh line is not influenced by viscoelastic effects, through rigorous calculations, we put forward the fact that viscoelastic effects do influence the non-equilibrium Rayleigh line, while the effects are absent for the equilibrium scenario. The non-equilibrium process is quantified through the concentration fluctuation auto-correlation function, also known as the structure factor. The analysis reveals that the effect of rheology is prominent for both the cases of free diffusion and thermal diffusion at long times, where the influence of rheology dictates not only the location of the peaks in concentration dynamic structure factors, but also the magnitudes; such peaks in dynamic structure factors are absent in the case of Newtonian fluid. At smaller times, for the case of free diffusion, presence of time-dependent peak(s) are observed, which are weakly dependent on the influence of rheology, a phenomenon which is absent in the case of thermal diffusion. Different regimes of the frequency dependent overall dynamic structure factor, depending on the interplay of the fluid relaxation time and momentum diffusivity, are evaluated. The static structure factor is not affected to a great extent for the case of free-diffusion and is unaffected for the case of thermal diffusion.
The equilibrium structure of thin magnetic flux tubes. I
Ferrari, A.; Massaglia, S.; Kalkofen, W.; Rosner, R.; Bodo, G.
1985-01-01
A model atmosphere within a thin magnetic flux tube that is embedded in an arbitrarily stratified medium is presently constructed by solving the radiative transfer equation in the two-stream approximation for gray opacity, under the assumption that the magnetic field is sufficiently strong to warrant the neglect of both thermal conduction and convective diffusion; energy inside the flux tube therefore being transported solely by radiation. The structure of the internal atmosphere is determined on the basis of the hydrostatic and radiative equilibrium conditions of the tube embedded in an external atmosphere. The gas temperature along the axis of the tube is computed, and the geometry of the flux tube is determined on the basis of magnetic flux conservation and total pressure equilibrium.
Mixed quantum-classical equilibrium in global flux surface hopping.
Sifain, Andrew E; Wang, Linjun; Prezhdo, Oleg V
2015-06-14
Global flux surface hopping (GFSH) generalizes fewest switches surface hopping (FSSH)—one of the most popular approaches to nonadiabatic molecular dynamics—for processes exhibiting superexchange. We show that GFSH satisfies detailed balance and leads to thermodynamic equilibrium with accuracy similar to FSSH. This feature is particularly important when studying electron-vibrational relaxation and phonon-assisted transport. By studying the dynamics in a three-level quantum system coupled to a classical atom in contact with a classical bath, we demonstrate that both FSSH and GFSH achieve the Boltzmann state populations. Thermal equilibrium is attained significantly faster with GFSH, since it accurately represents the superexchange process. GFSH converges closer to the Boltzmann averages than FSSH and exhibits significantly smaller statistical errors.
Mixed quantum-classical equilibrium in global flux surface hopping
Energy Technology Data Exchange (ETDEWEB)
Sifain, Andrew E. [Department of Physics and Astronomy, University of Southern California, Los Angeles, California 90089-0485 (United States); Wang, Linjun; Prezhdo, Oleg V. [Department of Chemistry, University of Southern California, Los Angeles, California 90089-1062 (United States)
2015-06-14
Global flux surface hopping (GFSH) generalizes fewest switches surface hopping (FSSH)—one of the most popular approaches to nonadiabatic molecular dynamics—for processes exhibiting superexchange. We show that GFSH satisfies detailed balance and leads to thermodynamic equilibrium with accuracy similar to FSSH. This feature is particularly important when studying electron-vibrational relaxation and phonon-assisted transport. By studying the dynamics in a three-level quantum system coupled to a classical atom in contact with a classical bath, we demonstrate that both FSSH and GFSH achieve the Boltzmann state populations. Thermal equilibrium is attained significantly faster with GFSH, since it accurately represents the superexchange process. GFSH converges closer to the Boltzmann averages than FSSH and exhibits significantly smaller statistical errors.
The geometry of structural equilibrium.
McRobie, Allan
2017-03-01
Building on a long tradition from Maxwell, Rankine, Klein and others, this paper puts forward a geometrical description of structural equilibrium which contains a procedure for the graphic analysis of stress resultants within general three-dimensional frames. The method is a natural generalization of Rankine's reciprocal diagrams for three-dimensional trusses. The vertices and edges of dual abstract 4-polytopes are embedded within dual four-dimensional vector spaces, wherein the oriented area of generalized polygons give all six components (axial and shear forces with torsion and bending moments) of the stress resultants. The relevant quantities may be readily calculated using four-dimensional Clifford algebra. As well as giving access to frame analysis and design, the description resolves a number of long-standing problems with the incompleteness of Rankine's description of three-dimensional trusses. Examples are given of how the procedure may be applied to structures of engineering interest, including an outline of a two-stage procedure for addressing the equilibrium of loaded gridshell rooves.
The geometry of structural equilibrium
2017-01-01
Building on a long tradition from Maxwell, Rankine, Klein and others, this paper puts forward a geometrical description of structural equilibrium which contains a procedure for the graphic analysis of stress resultants within general three-dimensional frames. The method is a natural generalization of Rankine’s reciprocal diagrams for three-dimensional trusses. The vertices and edges of dual abstract 4-polytopes are embedded within dual four-dimensional vector spaces, wherein the oriented area of generalized polygons give all six components (axial and shear forces with torsion and bending moments) of the stress resultants. The relevant quantities may be readily calculated using four-dimensional Clifford algebra. As well as giving access to frame analysis and design, the description resolves a number of long-standing problems with the incompleteness of Rankine’s description of three-dimensional trusses. Examples are given of how the procedure may be applied to structures of engineering interest, including an outline of a two-stage procedure for addressing the equilibrium of loaded gridshell rooves. PMID:28405361
The equilibrium of overpressurized polytropes
Huré, J.-M.; Hersant, F.; Nasello, G.
2018-03-01
We investigate the impact of an external pressure on the structure of self-gravitating polytropes for axially symmetric ellipsoids and rings. The confinement of the fluid by photons is accounted for through a boundary condition on the enthalpy H. Equilibrium configurations are determined numerically from a generalized `self-consistent-field' method. The new algorithm incorporates an intraloop re-scaling operator R(H), which is essential for both convergence and getting self-normalized solutions. The main control parameter is the external-to-core enthalpy ratio. In the case of uniform rotation rate and uniform surrounding pressure, we compute the mass, the volume, the rotation rate and the maximum enthalpy. This is repeated for a few polytropic indices, n. For a given axial ratio, overpressurization globally increases all output quantities, and this is more pronounced for large n. Density profiles are flatter than in the absence of an external pressure. When the control parameter asymptotically tends to unity, the fluid converges towards the incompressible solution, whatever the index, but becomes geometrically singular. Equilibrium sequences, obtained by varying the axial ratio, are built. States of critical rotation are greatly exceeded or even disappear. The same trends are observed with differential rotation. Finally, the typical response to a photon point source is presented. Strong irradiation favours sharp edges. Applications concern star-forming regions and matter orbiting young stars and black holes.
Paradoxes of thermal radiation
Energy Technology Data Exchange (ETDEWEB)
Besson, U [Department of Physics ' A Volta' , University of Pavia, Via A Bassi 6, 27100 Pavia (Italy)], E-mail: ugo.besson@unipv.it
2009-09-15
This paper presents an analysis of the thermal behaviour of objects exposed to a solar-type flux of thermal radiation. It aims to clarify certain apparent inconsistencies between theory and observation, and to give a detailed exposition of some critical points that physics textbooks usually treat in an insufficient or incorrect way. In particular, the paper examines the equilibrium temperature reached by objects exposed to solar thermal radiation and the temperature difference between their illuminated and shaded sides. These problems are studied first by analysing the simple ideal case of an isolated object, subsequently by taking into account the thermal radiation emitted by the environment, and finally by considering also the heat exchange with the surrounding air. Some examples are developed and numerical data are provided. The topic is developed in a way that can be suitable for both undergraduate student and general physicist.
Energy Technology Data Exchange (ETDEWEB)
Coppola, C. M.; Longo, S. [Dipartimento di Chimica, Universita degli Studi di Bari, Via Orabona 4, I-70126 Bari (Italy); D' Introno, R. [Dipartimento di Fisica, Universita degli Studi di Bari, Via Amendola 173, I-70126 Bari (Italy); Galli, D. [INAF-Osservatorio Astrofisico di Arcetri, Largo E. Fermi 5, I-50125 Firenze (Italy); Tennyson, J., E-mail: carla.coppola@chimica.uniba.it [Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom)
2012-03-01
Energy exchange processes play a crucial role in the early universe, affecting the thermal balance and the dynamical evolution of the primordial gas. In the present work we focus on the consequences of a non-thermal distribution of the level populations of H{sub 2}: first, we determine the excitation temperatures of vibrational transitions and the non-equilibrium heat transfer; second, we compare the modifications to chemical reaction rate coefficients with respect to the values obtained assuming local thermodynamic equilibrium; and third, we compute the spectral distortions to the cosmic background radiation generated by the formation of H{sub 2} in vibrationally excited levels. We conclude that non-equilibrium processes cannot be ignored in cosmological simulations of the evolution of baryons, although their observational signatures remain below current limits of detection. New fits to the equilibrium and non-equilibrium heat transfer functions are provided.
Modeling equilibrium Fe isotope fractionation
Anbar, A.; Jarzecki, A.; Spiro, T.
2003-04-01
Research into the stable isotope biogeochemistry of Fe and other transition metals has been driven primarily by analytical innovations which have revealed significant isotope effects in nature and the laboratory. Further development of these new isotope systems requires complementary theoretical research to guide analytical efforts. The results of the first such studies show some discrepancies with experiments. For example, Johnson et al. (2002) report an experimentally-determined 56Fe/54Fe equilibrium fractionation factor between Fe(II) and Fe(III) aquo complexes of ˜1.0025. This effect is ˜50% smaller than predicted theoretically by Schauble et al. (2001). It is important to resolve such discrepancies. Equilibrium isotope fractionation factors can be predicted from vibrational spectroscopic data of isotopically-substituted complexes, or from theoretical predictions of some or all of these frequencies obtained using force field models. The pioneering work of Schauble et al. (2001) utilized a modified Urey-Bradley force field (MUBFF) model. This approach is limiting in at least three ways: First, it is not ab initio, requiring as input some measured vibrational frequencies. Such data are not always available, or may have significant uncertainties. Second, the MUBFF does not include potentially important effects of solvent interaction. Third, because it makes certain assumptions about molecular symmetry, the MUBFF-based approach is not able to model the spectra of mixed-ligand complexes. To address these limitations, we are evaluating the use of density functional theory (DFT) as an ab initio method to predict vibrational frequencies of isotopically-substituted complexes and, hence, equilibrium fractionation factors. In a preliminary examination of the frequency shift upon isotope substitution of the bending and asymmetric stretching modes of the tetrahedral FeCl_42- complex, we find substantial differences between MUBFF and DFT predictions. Results for other Fe
Thermodynamic equilibrium at heterogeneous pressure
Vrijmoed, Johannes C.; Podladchikov, Yuri Y.
2014-05-01
Recent advances in metamorphic petrology point out the importance of grain-scale pressure variations in high-temperature metamorphic rocks. Pressures derived from chemical zonation using unconventional geobarometry based on equal chemical potentials fit mechanically feasible pressure variations. Here a thermodynamic equilibrium method is presented that predicts chemical zoning as a result of pressure variations by Gibbs energy minimization. Equilibrium thermodynamic prediction of the chemical zoning in the case of pressure heterogeneity is done by constraint Gibbs minimization using linear programming techniques. Compositions of phases considered in the calculation are discretized into 'pseudo-compounds' spanning the entire compositional space. Gibbs energies of these discrete compounds are generated for a given range and resolution of pressures for example derived by barometry or from mechanical model predictions. Gibbs energy minimization is subsequently performed considering all compounds of different composition and pressure. In addition to constraining the system composition a certain proportion of the system is constraint at a specified pressure. Input pressure variations need to be discretized and each discrete pressure defines an additional constraint for the minimization. The proportion of the system at each different pressure is equally distributed over the number of input pressures. For example if two input pressures P1 and P2 are specified, two constraints are added: 50 percent of the system is constraint at P1 while the remaining 50 percent is constraint at P2. The method has been tested for a set of 10 input pressures obtained by Tajčmanová et al. (2014) using their unconventional geobarometry method in a plagioclase rim around kyanite. Each input pressure is added as constraint to the minimization (1/10 percent of the system for each discrete pressure). Constraining the system composition to the average composition of the plagioclase rim
Non-Equilibrium Liouville and Wigner Equations: Moment Methods and Long-Time Approximations
Directory of Open Access Journals (Sweden)
Ramon F. Álvarez-Estrada
2014-03-01
Full Text Available We treat the non-equilibrium evolution of an open one-particle statistical system, subject to a potential and to an external “heat bath” (hb with negligible dissipation. For the classical equilibrium Boltzmann distribution, Wc,eq, a non-equilibrium three-term hierarchy for moments fulfills Hermiticity, which allows one to justify an approximate long-time thermalization. That gives partial dynamical support to Boltzmann’s Wc,eq, out of the set of classical stationary distributions, Wc;st, also investigated here, for which neither Hermiticity nor that thermalization hold, in general. For closed classical many-particle systems without hb (by using Wc,eq, the long-time approximate thermalization for three-term hierarchies is justified and yields an approximate Lyapunov function and an arrow of time. The largest part of the work treats an open quantum one-particle system through the non-equilibrium Wigner function, W. Weq for a repulsive finite square well is reported. W’s (< 0 in various cases are assumed to be quasi-definite functionals regarding their dependences on momentum (q. That yields orthogonal polynomials, HQ,n(q, for Weq (and for stationary Wst, non-equilibrium moments, Wn, of W and hierarchies. For the first excited state of the harmonic oscillator, its stationary Wst is a quasi-definite functional, and the orthogonal polynomials and three-term hierarchy are studied. In general, the non-equilibrium quantum hierarchies (associated with Weq for the Wn’s are not three-term ones. As an illustration, we outline a non-equilibrium four-term hierarchy and its solution in terms of generalized operator continued fractions. Such structures also allow one to formulate long-time approximations, but make it more difficult to justify thermalization. For large thermal and de Broglie wavelengths, the dominant Weq and a non-equilibrium equation for W are reported: the non-equilibrium hierarchy could plausibly be a three-term one and possibly not
Chemical Reactions Using a Non-Equilibrium Wigner Function Approach
Directory of Open Access Journals (Sweden)
Ramón F. Álvarez-Estrada
2016-10-01
Full Text Available A three-dimensional model of binary chemical reactions is studied. We consider an ab initio quantum two-particle system subjected to an attractive interaction potential and to a heat bath at thermal equilibrium at absolute temperature T > 0 . Under the sole action of the attraction potential, the two particles can either be bound or unbound to each other. While at T = 0 , there is no transition between both states, such a transition is possible when T > 0 (due to the heat bath and plays a key role as k B T approaches the magnitude of the attractive potential. We focus on a quantum regime, typical of chemical reactions, such that: (a the thermal wavelength is shorter than the range of the attractive potential (lower limit on T and (b ( 3 / 2 k B T does not exceed the magnitude of the attractive potential (upper limit on T. In this regime, we extend several methods previously applied to analyze the time duration of DNA thermal denaturation. The two-particle system is then described by a non-equilibrium Wigner function. Under Assumptions (a and (b, and for sufficiently long times, defined by a characteristic time scale D that is subsequently estimated, the general dissipationless non-equilibrium equation for the Wigner function is approximated by a Smoluchowski-like equation displaying dissipation and quantum effects. A comparison with the standard chemical kinetic equations is made. The time τ required for the two particles to transition from the bound state to unbound configurations is studied by means of the mean first passage time formalism. An approximate formula for τ, in terms of D and exhibiting the Arrhenius exponential factor, is obtained. Recombination processes are also briefly studied within our framework and compared with previous well-known methods.
Fire suppression as a thermal implosion
Novozhilov, Vasily
2017-01-01
The present paper discusses the possibility of the thermal implosion scenario. This process would be a reverse of the well known thermal explosion (autoignition) phenomenon. The mechanism for thermal implosion scenario is proposed which involves quick suppression of the turbulent diffusion flame. Classical concept of the thermal explosion is discussed first. Then a possible scenario for the reverse process (thermal implosion) is discussed and illustrated by a relevant mathematical model. Based on the arguments presented in the paper, thermal implosion may be observed as an unstable equilibrium point on the generalized Semenov diagram for turbulent flame, however this hypothesis requires ultimate experimental confirmation.
Equilibrium Analysis in Cake Cutting
DEFF Research Database (Denmark)
Branzei, Simina; Miltersen, Peter Bro
2013-01-01
Cake cutting is a fundamental model in fair division; it represents the problem of fairly allocating a heterogeneous divisible good among agents with different preferences. The central criteria of fairness are proportionality and envy-freeness, and many of the existing protocols are designed...... to guarantee proportional or envy-free allocations, when the participating agents follow the protocol. However, typically, all agents following the protocol is not guaranteed to result in a Nash equilibrium. In this paper, we initiate the study of equilibria of classical cake cutting protocols. We consider one...... of the simplest and most elegant continuous algorithms -- the Dubins-Spanier procedure, which guarantees a proportional allocation of the cake -- and study its equilibria when the agents use simple threshold strategies. We show that given a cake cutting instance with strictly positive value density functions...
Equilibrium theory of heatless adsorption
Energy Technology Data Exchange (ETDEWEB)
Chan, Y.N.I.; Hill, F.B.; Wong, Y.W.
1979-01-01
The equilibrium theory of heatless adsorption was derived for the case of isothermal removal of a single trace adsorbable component from an inert carrier. The adsorbing component obeyed a linear distribution law. A modification is made in order to render all material balances exact. The modified theory is presented and extended to the case of the two-component system in which both components are adsorbable. A survey was made of the predictions of the corrected theory. Calculations were made of the steady state performance of a single heatless adsorption stage when operating at the condition of complete removal of the trace component from the product stream. Quantities calculated included the critical purge to feed ratio, enrichments in the purge and in the blowdown gas, and overall enrichment. Operation at the critical purge to feed ratio for perfect cleanup and the shortest column length corresponds to the condition of maximum sorbent utilization, providing an upper bound on the performance of the column. The overall enrichment increases with pressure ratio and decreases with the equilibrium parameter ..beta... It is dominated by the enrichment in the purge stream for small values of ..beta... At a purge to feed ratio greater than the critical, the overall enrichment is diminished and exhibits a maximum with respect to pressure ratio. For separation factors less than unity, only modest depletion of the trace component in th product stream is found, and this depletion is relatively insensitive to pressure ratio. From transient calculations, the number of cycles required to reach steady state increases with pressure ratio.
Non-equilibrium steady state in the hydro regime
Energy Technology Data Exchange (ETDEWEB)
Pourhasan, Razieh [Science Institute, University of Iceland,Dunhaga 5, 107 Reykjavik (Iceland)
2016-02-01
We study the existence and properties of the non-equilibrium steady state which arises by putting two copies of systems at different temperatures into a thermal contact. We solve the problem for the relativistic systems that are described by the energy-momentum of a perfect hydro with general equation of state (EOS). In particular, we examine several simple examples: a hydro with a linear EOS, a holographic CFT perturbed by a relevant operator and a barotropic fluid, i.e., P=P(E). Our studies suggest that the formation of steady state is a universal result of the hydro regime regardless of the kind of fluid.
Physical Equilibrium Evaluation in Parkinson Disease
Directory of Open Access Journals (Sweden)
Schmidt, Paula da Silva
2011-04-01
Full Text Available Introduction: The Parkinson disease can be among the multiple causes of alterations in the physical equilibrium. Accordingly, this study has the objective to evaluate Parkinson patients' physical equilibrium. Method: Potential study in which 12 Parkinson individuals were evaluated by way of tests of static and dynamic equilibrium, dynamic posturography and vectoelectronystagmograph. To compare the dynamic posturography results a group of gauged control was used. Results: Alterations in Romberg-Barré, Unterberger and Walk tests were found. The vestibular exam revealed 06 normal cases, 04 central vestibular syndrome and 02 cases of peripheral vestibular syndrome. In the dynamic posturography, an equilibrium alteration has been verified, when compared to the control group in all Sensorial Organization Tests, in average and in the utilization of vestibular system. Conclusion: Parkinson patients present a physical equilibrium alteration. The dynamic posturography was more sensitive to detect the equilibrium alterations than vectoelectronystagmograph.
Equilibrium Solubility of CO2 in Alkanolamines
DEFF Research Database (Denmark)
Waseem Arshad, Muhammad; Fosbøl, Philip Loldrup; von Solms, Nicolas
2014-01-01
Equilibrium solubility of CO2 were measured in aqueous solutions of Monoethanolamine (MEA) and N,N-diethylethanolamine(DEEA). Equilibrium cells are generally used for these measurements. In this study, the equilibrium data were measured from the calorimetry. For this purpose a reaction calorimeter...... (model CPA 122 from ChemiSens AB, Sweden) was used. The advantage of this method is being the measurement of both heats of absorption and equilibrium solubility data of CO2 at the same time. The measurements were performed for 30 mass % MEA and 5M DEEA solutions as a function of CO2 loading at three...... different temperatures 40, 80 and 120 ºC. The measured 30 mass % MEA and 5M DEEA data were compared with the literature data obtained from different equilibrium cells which validated the use of calorimeters for equilibrium solubility measurements....
Mathematical models and equilibrium in irreversible microeconomics
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Anatoly M. Tsirlin
2010-07-01
Full Text Available A set of equilibrium states in a system consisting of economic agents, economic reservoirs, and firms is considered. Methods of irreversible microeconomics are used. We show that direct sale/purchase leads to an equilibrium state which depends upon the coefficients of supply/demand functions. To reach the unique equilibrium state it is necessary to add either monetary exchange or an intermediate firm.
Lower bounds for ballistic current and noise in non-equilibrium quantum steady states
Energy Technology Data Exchange (ETDEWEB)
Doyon, Benjamin, E-mail: benjamin.doyon@kcl.ac.uk
2015-03-15
Let an infinite, homogeneous, many-body quantum system be unitarily evolved for a long time from a state where two halves are independently thermalized. One says that a non-equilibrium steady state emerges if there are nonzero steady currents in the central region. In particular, their presence is a signature of ballistic transport. We analyze the consequences of the current observable being a conserved density; near equilibrium this is known to give rise to linear wave propagation and a nonzero Drude peak. Using the Lieb–Robinson bound, we derive, under a certain regularity condition, a lower bound for the non-equilibrium steady-state current determined by equilibrium averages. This shows and quantifies the presence of ballistic transport far from equilibrium. The inequality suggests the definition of “nonlinear sound velocities”, which specialize to the sound velocity near equilibrium in non-integrable models, and “generalized sound velocities”, which encode generalized Gibbs thermalization in integrable models. These are bounded by the Lieb–Robinson velocity. The inequality also gives rise to a bound on the energy current noise in the case of pure energy transport. We show that the inequality is satisfied in many models where exact results are available, and that it is saturated at one-dimensional criticality.
Lower bounds for ballistic current and noise in non-equilibrium quantum steady states
Directory of Open Access Journals (Sweden)
Benjamin Doyon
2015-03-01
Full Text Available Let an infinite, homogeneous, many-body quantum system be unitarily evolved for a long time from a state where two halves are independently thermalized. One says that a non-equilibrium steady state emerges if there are nonzero steady currents in the central region. In particular, their presence is a signature of ballistic transport. We analyze the consequences of the current observable being a conserved density; near equilibrium this is known to give rise to linear wave propagation and a nonzero Drude peak. Using the Lieb–Robinson bound, we derive, under a certain regularity condition, a lower bound for the non-equilibrium steady-state current determined by equilibrium averages. This shows and quantifies the presence of ballistic transport far from equilibrium. The inequality suggests the definition of “nonlinear sound velocities”, which specialize to the sound velocity near equilibrium in non-integrable models, and “generalized sound velocities”, which encode generalized Gibbs thermalization in integrable models. These are bounded by the Lieb–Robinson velocity. The inequality also gives rise to a bound on the energy current noise in the case of pure energy transport. We show that the inequality is satisfied in many models where exact results are available, and that it is saturated at one-dimensional criticality.
Equilibrium sampling by reweighting nonequilibrium simulation trajectories.
Yang, Cheng; Wan, Biao; Xu, Shun; Wang, Yanting; Zhou, Xin
2016-03-01
Based on equilibrium molecular simulations, it is usually difficult to efficiently visit the whole conformational space of complex systems, which are separated into some metastable regions by high free energy barriers. Nonequilibrium simulations could enhance transitions among these metastable regions and then be applied to sample equilibrium distributions in complex systems, since the associated nonequilibrium effects can be removed by employing the Jarzynski equality (JE). Here we present such a systematical method, named reweighted nonequilibrium ensemble dynamics (RNED), to efficiently sample equilibrium conformations. The RNED is a combination of the JE and our previous reweighted ensemble dynamics (RED) method. The original JE reproduces equilibrium from lots of nonequilibrium trajectories but requires that the initial distribution of these trajectories is equilibrium. The RED reweights many equilibrium trajectories from an arbitrary initial distribution to get the equilibrium distribution, whereas the RNED has both advantages of the two methods, reproducing equilibrium from lots of nonequilibrium simulation trajectories with an arbitrary initial conformational distribution. We illustrated the application of the RNED in a toy model and in a Lennard-Jones fluid to detect its liquid-solid phase coexistence. The results indicate that the RNED sufficiently extends the application of both the original JE and the RED in equilibrium sampling of complex systems.
Directory of Open Access Journals (Sweden)
Que Yun
2016-05-01
Full Text Available In order to reveal the fluctuation effect of equilibrium moisture content of low subgrade in hot and humid climatic regions, the effect of temperature on the fluctuation of the equilibrium moisture content of subgrade was analysed. Taking the typical climate and the subgrade soil in Fujian province as an example, three technological methods - theoretical analysis, numerical simulation and indoor simulation experiment - were adopted in the investigation of the fluctuation effect of equilibrium moisture content of subgrade. The results show that, computing results from the formula of the equilibrium moisture content of subgrade, the numerical simulation results are closer to each other in consideration of the temperature effect. The test results can not reflect the relationship between the equilibrium moisture content and the height of embankment. The maximum fluctuation range of the equilibrium moisture content of the cement concrete pavement is less than 2 percent in Fujian area, and this phenomenon presents the effect of the moist-hot climate on the equilibrium moisture content. Equilibrium moisture content presents a declining trend with the increment of the temperature and the compactness. So, if matric potential considering temperature indirectly reflects the influence of thermal potential, then the equilibrium moisture content of low subgrade under high groundwater level can be estimated approximately. The fluctuation range of equilibrium moisture content in different layers of subgrade can be reduced effectively with the increment of the roadbed compaction degree.
Philicities, Fugalities, and Equilibrium Constants.
Mayr, Herbert; Ofial, Armin R
2016-05-17
The mechanistic model of Organic Chemistry is based on relationships between rate and equilibrium constants. Thus, strong bases are generally considered to be good nucleophiles and poor nucleofuges. Exceptions to this rule have long been known, and the ability of iodide ions to catalyze nucleophilic substitutions, because they are good nucleophiles as well as good nucleofuges, is just a prominent example for exceptions from the general rule. In a reaction series, the Leffler-Hammond parameter α = δΔG(⧧)/δΔG° describes the fraction of the change in the Gibbs energy of reaction, which is reflected in the change of the Gibbs energy of activation. It has long been considered as a measure for the position of the transition state; thus, an α value close to 0 was associated with an early transition state, while an α value close to 1 was considered to be indicative of a late transition state. Bordwell's observation in 1969 that substituent variation in phenylnitromethanes has a larger effect on the rates of deprotonation than on the corresponding equilibrium constants (nitroalkane anomaly) triggered the breakdown of this interpretation. In the past, most systematic investigations of the relationships between rates and equilibria of organic reactions have dealt with proton transfer reactions, because only for few other reaction series complementary kinetic and thermodynamic data have been available. In this Account we report on a more general investigation of the relationships between Lewis basicities, nucleophilicities, and nucleofugalities as well as between Lewis acidities, electrophilicities, and electrofugalities. Definitions of these terms are summarized, and it is suggested to replace the hybrid terms "kinetic basicity" and "kinetic acidity" by "protophilicity" and "protofugality", respectively; in this way, the terms "acidity" and "basicity" are exclusively assigned to thermodynamic properties, while "philicity" and "fugality" refer to kinetics
Gradient descent learning in and out of equilibrium.
Caticha, N; Araújo de Oliveira, E
2001-06-01
Relations between the off thermal equilibrium dynamical process of on-line learning and the thermally equilibrated off-line learning are studied for potential gradient descent learning. The approach of Opper to study on-line Bayesian algorithms is used for potential based or maximum likelihood learning. We look at the on-line learning algorithm that best approximates the off-line algorithm in the sense of least Kullback-Leibler information loss. The closest on-line algorithm works by updating the weights along the gradient of an effective potential, which is different from the parent off-line potential. A few examples are analyzed and the origin of the potential annealing is discussed.
Linking Equilibrium and Nonequilibrium Dynamics in Glass-Forming Systems
DEFF Research Database (Denmark)
Mauro, John C.; Guo, Xiaoju; Smedskjær, Morten Mattrup
Understanding nonequilibrium glassy dynamics is of great scientific and technological importance. However, prediction of the temperature, thermal history, and composition dependence of nonequilibrium viscosity is challenging due to the noncrystalline and nonergodic nature of the glassy state. Here......, we show that the nonequilibrium glassy dynamics are intimately connected with the equilibrium liquid dynamics. This is accomplished by deriving a new functional form for the thermal history dependence of nonequilibrium viscosity, which is validated against experimental measurements of industrial...... silicate glasses and computed viscosities for selenium over a wide range of conditions. Since the temperature and composition dependence of liquid viscosity can be predicted using temperature-dependent constraint theory, our work also opens the possibility to improve understanding of the physics...
Nayak, B.; Menon, S. V. G.
2017-04-01
A generalized enthalpy-based equation of state, which includes thermal electron excitations and non-equilibrium thermal energies, is formulated for binary solid and porous mixtures. Our approach gives rise to an extra contribution to mixture volume, in addition to those corresponding to average mixture parameters. This excess term involves the difference of thermal enthalpies of the two components, which depend on their individual temperatures. We propose to use the Hugoniot of the components to compute non-equilibrium temperatures in the mixture. These are then compared with the average temperature obtained from the mixture Hugoniot, thereby giving an estimate of non-equilibrium effects. The Birch-Murnaghan model for the zero-temperature isotherm and a linear thermal model are then used for applying the method to several mixtures, including one porous case. Comparison with experimental data on the pressure-volume Hugoniot and shock speed versus particle speed shows good agreement.
Controlled nonperturbative dynamics of quantum fields out of equilibrium
Energy Technology Data Exchange (ETDEWEB)
Berges, Juergen E-mail: j.berges@thphys.uni-heidelberg.de
2002-03-11
We compute the nonequilibrium real-time evolution of an O(N)-symmetric scalar quantum field theory from a systematic 1/N expansion of the 2PI effective action to next-to-leading order, which includes scattering and memory effects. In contrast to the standard 1/N expansion of the 1PI effective action, the next-to-leading-order expansion in presence of a possible expectation value for the composite operator leads to a bounded-time evolution where the truncation error may be controlled by higher powers in 1/N. We present a detailed comparison with the leading-order results and determine the range of validity of standard mean-field-type approximations. We investigate 'quench' and 'tsunami' initial conditions frequently used to mimic idealized far-from-equilibrium pion dynamics in the context of heavy-ion collisions. For spatially homogeneous initial conditions, we find three generic regimes, characterized by an early-time exponential damping, a parametrically slow (power-law) behavior at intermediate times, and a late-time exponential approach to thermal equilibrium. The different time scales are obtained from a numerical solution of the time-reversal invariant equations in 1+1 dimensions without further approximations. We discuss in detail the out-of-equilibrium behavior of the nontrivial n-point correlation functions as well as the evolution of a particle number distribution and inverse slope parameter.
NON-EQUILIBRIUM ELECTRONS IN THE OUTSKIRTS OF GALAXY CLUSTERS
Energy Technology Data Exchange (ETDEWEB)
Avestruz, Camille; Nagai, Daisuke; Lau, Erwin T. [Department of Physics, Yale University, New Haven, CT 06520 (United States); Nelson, Kaylea, E-mail: camille.avestruz@yale.edu, E-mail: camille.avestruz@yale.edu [Yale Center for Astronomy and Astrophysics, Yale University, New Haven, CT 06520 (United States)
2015-08-01
The analysis of X-ray and Sunyaev–Zel’dovich measurements of the intracluster medium (ICM) assumes that electrons are in thermal equilibrium with ions in the plasma. However, in the outskirts of galaxy clusters, the electron–ion equilibration timescale can become comparable to the Hubble time, leading to systematic biases in cluster mass estimates and mass-observable scaling relations. To quantify an upper limit of the impact of non-equilibrium electrons, we use a mass-limited sample of simulated galaxy clusters taken from a cosmological simulation with a two-temperature model that assumes the Spitzer equilibration time for the electrons and ions. We show that the temperature bias is more pronounced in more massive and rapidly accreting clusters. For the most extreme case, we find that the bias is of the order of 10% at half of the cluster virial radius and increases to 40% at the edge of the cluster. Gas in filaments is less susceptible to the non-equilibrium effect, leading to azimuthal variations in the temperature bias at large cluster-centric radii. Using mock Chandra observations of simulated clusters, we show that the bias manifests in ultra-deep X-ray observations of cluster outskirts and quantify the resulting biases in hydrostatic mass and cluster temperature derived from these observations. We provide a mass-dependent fitting function for the temperature bias profile, which can be useful for modeling the effect of electron-ion equilibration in galaxy clusters.
Anomalous Thermoelectric Response in an Orbital-Ordered Oxide Near and Far from Equilibrium
Nishina, Yasuo; Okazaki, Ryuji; Yasui, Yukio; Nakamura, Fumihiko; Terasaki, Ichiro
2017-09-01
We report the thermoelectric transport properties in the orbital-ordered Mott insulating phase of Ca2RuO4 close to and far from equilibrium. Near equilibrium conditions where the temperature gradient is only applied to the sample, an insulating but non-monotonic temperature variation of the Seebeck coefficient is observed, which is accounted for in terms of a temperature-induced suppression of the orbital order. In non-equilibrium conditions where we have applied high electrical currents, we find that the Seebeck coefficient is anomalously increased in magnitude with increasing external current. The present result clearly demonstrates a non-thermal effect since the heating simply causes a decrease of the Seebeck coefficient, implying a non-trivial non-equilibrium effect such as a modification of the spin and orbital state in currents.
KMS-like properties of local equilibrium states in quantum field theory
Gransee, Michael; Pinamonti, Nicola; Verch, Rainer
2017-07-01
A new condition, called ;Local KMS Condition;, characterizing states of a quantum field to which one can ascribe, at a given spacetime point, a temperature, is introduced in this article. It will be shown that the Local KMS Condition (LKMS condition) is equivalent to the Local Thermal Equilibrium (LTE) condition, proposed previously by Buchholz, Ojima and Roos, for states of the quantized scalar Klein-Gordon field that fulfill the analytic microlocal spectrum condition. Therefore, known examples of states fulfilling the LTE condition provide examples of states obeying the LKMS condition with a temperature distribution varying in space and time. The results extend to the generalized cases of mixed-temperature LKMS and LTE states. The LKMS condition therefore provides a promising generalization of the KMS condition, which characterizes global thermal equilibrium states with respect to an inertial time evolution, to states which are globally out of equilibrium but still possess a local temperature distribution.
Colin Rowe and ' Dynamic Equilibrium'
Directory of Open Access Journals (Sweden)
Pablo López Marín
2015-05-01
Full Text Available AbstractIn 1944 Gyorgy Kepes published what undoubtless will be his most influential text, "The language of vision". What Kepes tried to do was a guide of grammar and syntax of vision, which allows to face art as purely sensory experience or just visual, devisted of any literary , semantic or sentimental meaning.Among all the concepts that Kepes developes in his essay perhaps the most decisive one is the so called dynamic equilibrium, which is introduced in this work for fi rst time, verbalizing something that was in the air, orbiting around the entire modern plastic but far only explained in an empirical way.Colin Rowe reverberates the recent readed kepesian ideas on his own writings Transparency: Literal and Phenomenal and Neo-'Classicism' and Modern Architecture I and II, when the author tries to highlight the founding principles of the modern movement refusing the plastic dimension of the discipline . The article will try to expose and explain this influence.
Non-equilibrium modelling of distillation
Wesselingh, JA; Darton, R
1997-01-01
There are nasty conceptual problems in the classical way of describing distillation columns via equilibrium stages, and efficiencies or HETP's. We can nowadays avoid these problems by simulating the behaviour of a complete column in one go using a non-equilibrium model. Such a model has phase
Approximate Equilibrium Problems and Fixed Points
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H. Mazaheri
2013-01-01
Full Text Available We find a common element of the set of fixed points of a map and the set of solutions of an approximate equilibrium problem in a Hilbert space. Then, we show that one of the sequences weakly converges. Also we obtain some theorems about equilibrium problems and fixed points.
Equilibrium theory of island biogeography: A review
Angela D. Yu; Simon A. Lei
2001-01-01
The topography, climatic pattern, location, and origin of islands generate unique patterns of species distribution. The equilibrium theory of island biogeography creates a general framework in which the study of taxon distribution and broad island trends may be conducted. Critical components of the equilibrium theory include the species-area relationship, island-...
The Equilibrium of Life-Career Planning
Byars-Winston, Angela
Over a 100 years ago, fixed wing aircraft flight was made possible by Orville and Wilbur Wright's breakthrough invention of a three-axis control that allowed effective steering and maintenance of airplanes' equilibrium. The significance of the Wright brothers' control invention is that it facilitated recovery of lateral balance, or equilibrium, when the wind tilts the aircraft to one side or another.
equilibrium approach in thederivation of differential equations
African Journals Online (AJOL)
user
In this paper, the differential equations of Mindlin plates are derived from basic principles by simultaneous satisfaction of the differential equations of equilibrium, the stress-strain laws and the strain-displacement relations for isotropic, homogenous linear elastic materials. Equilibrium method was adopted in the derivation.
Do intertidal flats ever reach equilibrium?
Maan, D.C.; van Prooijen, B.C.; Wang, Z.B.; de Vriend, H.J.
2015-01-01
Various studies have identified a strong relation between the hydrodynamic forces and the equilibrium profile for intertidal flats. A thorough understanding of the interplay between the hydrodynamic forces and the morphology, however, concerns more than the equilibrium state alone. We study the
A Holistic Equilibrium Theory of Organization Development
Yang, Baiyin; Zheng, Wei
2005-01-01
This paper proposes a holistic equilibrium theory of organizational development (OD). The theory states that there are three driving forces in organizational change and development--rationality, reality, and liberty. OD can be viewed as a planned process of change in an organization so as to establish equilibrium among these three interacting…
Ghirardi, Marco; Marchetti, Fabio; Pettinari, Claudio; Regis, Alberto; Roletto, Ezio
2015-01-01
A didactic sequence is proposed for the teaching of chemical equilibrium law. In this approach, we have avoided the kinetic derivation and the thermodynamic justification of the equilibrium constant. The equilibrium constant expression is established empirically by a trial-and-error approach. Additionally, students learn to use the criterion of…
On the definition of equilibrium and non-equilibrium states in dynamical systems
Akimoto, Takuma
2008-01-01
We propose a definition of equilibrium and non-equilibrium states in dynamical systems on the basis of the time average. We show numerically that there exists a non-equilibrium non-stationary state in the coupled modified Bernoulli map lattice.
Disturbances in equilibrium function after major earthquake
Honma, Motoyasu; Endo, Nobutaka; Osada, Yoshihisa; Kim, Yoshiharu; Kuriyama, Kenichi
2012-10-01
Major earthquakes were followed by a large number of aftershocks and significant outbreaks of dizziness occurred over a large area. However it is unclear why major earthquake causes dizziness. We conducted an intergroup trial on equilibrium dysfunction and psychological states associated with equilibrium dysfunction in individuals exposed to repetitive aftershocks versus those who were rarely exposed. Greater equilibrium dysfunction was observed in the aftershock-exposed group under conditions without visual compensation. Equilibrium dysfunction in the aftershock-exposed group appears to have arisen from disturbance of the inner ear, as well as individual vulnerability to state anxiety enhanced by repetitive exposure to aftershocks. We indicate potential effects of autonomic stress on equilibrium function after major earthquake. Our findings may contribute to risk management of psychological and physical health after major earthquakes with aftershocks, and allow development of a new empirical approach to disaster care after such events.
Phase equilibrium measurements on nine binary mixtures
Energy Technology Data Exchange (ETDEWEB)
Wilding, W.V. [Brigham Young Univ., Provo, UT (United States). Chemical Engineering Dept.; Giles, N.F.; Wilson, L.C. [Wiltec Research Co. Inc., Provo, UT (United States)
1996-11-01
Phase equilibrium measurements have been performed on nine binary mixtures. The PTx method was used to obtain vapor-liquid equilibrium data for the following systems at two temperatures each: (aminoethyl)piperazine + diethylenetriamine; 2-butoxyethyl acetate + 2-butoxyethanol; 2-methyl-2-propanol + 2-methylbutane; 2-methyl-2-propanol + 2-methyl-2-butene; methacrylonitrile + methanol; 1-chloro-1,1-difluoroethane + hydrogen chloride; 2-(hexyloxy)ethanol + ethylene glycol; butane + ammonia; propionaldehyde + butane. Equilibrium vapor and liquid phase compositions were derived form the PTx data using the Soave equation of state to represent the vapor phase and the Wilson or the NRTL activity coefficient model to represent the liquid phase. A large immiscibility region exists in the butane + ammonia system at 0 C. Therefore, separate vapor-liquid-liquid equilibrium measurements were performed on this system to more precisely determine the miscibility limits and the composition of the vapor phase in equilibrium with the two liquid phases.
Equilibrium, scale and inheritance in geomorphology
Ahnert, Frank
1994-12-01
Of the many "equilibrium" terms that have been proposed, only two are needed: dynamic equilibrium in the original sense of G.K. Gilbert (1877) and steady state. The former refers to the relationship between the process components of a system, the latter to the system as a whole. The tendency towards establishing a dynamic equilibrium is inherent in all natural systems that contain negative feedbacks between processes capable of compensating each other. In geomorphology, equilibrium tendencies of the mass budget are more relevant than those of the energy budget. The validity of the equilibrium concept is discussed at several scales from a slope point to entire slopes, drainage basins and mountain ranges. The effects of eksystemic changes vary depending upon the length of the intervals between such changes in comparison to the length of the required relaxation times. This relationship also applies to the influence of inherited forms, patterns and materials that have become components of present-day systems.
Historical Change of Equilibrium Water Temperature in Japan
Miyamoto, H.
2015-12-01
Changes in freshwater ecosystems due to a climate change have been great concern for sustainable river basin management both for water resources utilization and ecological conservation. However, their impact seems to be difficult to evaluate because of wide variety of basin characteristics along a river network both in nature and social environment. This presentation uses equilibrium water temperature as a simple criterion index for evaluating the long-term changes of stream thermal environment due to the historical climate change in Japan. It examines, at first, the relationship between the equilibrium water temperature and the stream temperature observed for 7 years at a lower reach in the Ibo River, Japan. It analyzes, then, the seasonal and regional trends of the equilibrium water temperature change for the last 50 years at 133 meteorological station sites throughout Japan, discussing their rising or falling characteristics. The correlation analysis at the local reach of the Ibo River shows that the equilibrium water temperature has similar trend of change as the stream temperature. However, its value tends to be higher than the stream temperature in summer, while lower in winter. The onset of the higher equilibrium water temperature fluctuates annually from mid February to early April. This onset fluctuation at each spring could be influenced by the different amount of snow at the antecedent winter. The rising or falling trends of the equilibrium water temperature are analyzed both annually and seasonally through the regression analysis of the 133 sites in Japan. Consequently, the trends of the temperature change could be categorized by 12 patterns. As for the seasonal analysis, the results shows that there are many sites indicating the falling trend in spring and summer, and rising trends in autumn and winter. In particular, winter has the strong rising tendency throughout Japan. As for the regional analysis, the result illustrates the precise rationality; e
Quantum hair of black holes out of equilibrium
Brustein, Ram; Medved, A. J. M.
2018-02-01
Classically, the black hole (BH) horizon is completely opaque, hiding any clues about the state and very existence of its interior. Quantum mechanically and in equilibrium, the situation is not much different; Hawking radiation will now be emitted, but it comes out at an extremely slow rate, is thermal to a high degree of accuracy, and thus carries a minimal amount of information about the quantum state within the BH. Here, it is shown that the situation is significantly different when a quantum BH is out of equilibrium. We argue that the BH can then emit "supersized" Hawking radiation with a much larger amplitude than that emitted in equilibrium. The result is a new type of quantum hair that can reveal the state and composition of the BH interior to an external observer. Moreover, the frequency and amplitude of the new hair can be explained by the observer without invoking any new physical principles. The new hair decays at a parametrically slow rate in comparison to the Schwarzschild time scale and can be detected through the emission of gravitational waves (and possibly other types of waves) whenever a BH has received a large enough surge in energy to move it far away from its equilibrium state, in particular, during and immediately after a BH-merger event. The current discussion is motivated by a previous analysis, in the context of a recently proposed polymer model for the BH interior, that implies emissions just like those described here. We expect, however, that the new hair is a model-independent property of quantum BHs.
Anisotropic thermal conductivity of graphene wrinkles.
Wang, C; Liu, Y; Li, L; Tan, H
2014-06-07
In this paper, the anisotropic thermal conductivity characteristics of graphene wrinkles are observed for the first time using a non-equilibrium molecular dynamics method. Our results reveal that the wrinkling level has little effect on the thermal conductivity along the wrinkling direction. However, the wrinkling level plays an important role in the reduction of thermal conductivity along the texture direction, which results from the contributions of increased bond length, von Mises stress, broadening of phonon modes and G-band redshift. These results indicate that graphene wrinkles can be a promising candidate to modulate thermal conductivity properties in nanoscale thermal managements and thermoelectric devices.
Ferreira, Ricardo Z.; Notari, Alessio
2017-09-01
We analyze the dynamics of inflationary models with a coupling of the inflaton phi to gauge fields of the form phi F tilde F/f, as in the case of axions. It is known that this leads to an instability, with exponential amplification of gauge fields, controlled by the parameter ξ= dot phi/(2fH), which can strongly affect the generation of cosmological perturbations and even the background. We show that scattering rates involving gauge fields can become larger than the expansion rate H, due to the very large occupation numbers, and create a thermal bath of particles of temperature T during inflation. In the thermal regime, energy is transferred to smaller scales, radically modifying the predictions of this scenario. We thus argue that previous constraints on ξ are alleviated. If the gauge fields have Standard Model interactions, which naturally provides reheating, they thermalize already at ξgtrsim2.9, before perturbativity constraints and also before backreaction takes place. In absence of SM interactions (i.e. for a dark photon), we find that gauge fields and inflaton perturbations thermalize if ξgtrsim3.4 however, observations require ξgtrsim6, which is above the perturbativity and backreaction bounds and so a dedicated study is required. After thermalization, though, the system should evolve non-trivially due to the competition between the instability and the gauge field thermal mass. If the thermal mass and the instabilities equilibrate, we expect an equilibrium temperature of Teq simeq ξ H/bar g where bar g is the effective gauge coupling. Finally, we estimate the spectrum of perturbations if phi is thermal and find that the tensor to scalar ratio is suppressed by H/(2T), if tensors do not thermalize.
Local Nash equilibrium in social networks.
Zhang, Yichao; Aziz-Alaoui, M A; Bertelle, Cyrille; Guan, Jihong
2014-08-29
Nash equilibrium is widely present in various social disputes. As of now, in structured static populations, such as social networks, regular, and random graphs, the discussions on Nash equilibrium are quite limited. In a relatively stable static gaming network, a rational individual has to comprehensively consider all his/her opponents' strategies before they adopt a unified strategy. In this scenario, a new strategy equilibrium emerges in the system. We define this equilibrium as a local Nash equilibrium. In this paper, we present an explicit definition of the local Nash equilibrium for the two-strategy games in structured populations. Based on the definition, we investigate the condition that a system reaches the evolutionary stable state when the individuals play the Prisoner's dilemma and snow-drift game. The local Nash equilibrium provides a way to judge whether a gaming structured population reaches the evolutionary stable state on one hand. On the other hand, it can be used to predict whether cooperators can survive in a system long before the system reaches its evolutionary stable state for the Prisoner's dilemma game. Our work therefore provides a theoretical framework for understanding the evolutionary stable state in the gaming populations with static structures.
Methods for Solving Generalized Nash Equilibrium
Directory of Open Access Journals (Sweden)
Biao Qu
2013-01-01
Full Text Available The generalized Nash equilibrium problem (GNEP is an extension of the standard Nash equilibrium problem (NEP, in which each player's strategy set may depend on the rival player's strategies. In this paper, we present two descent type methods. The algorithms are based on a reformulation of the generalized Nash equilibrium using Nikaido-Isoda function as unconstrained optimization. We prove that our algorithms are globally convergent and the convergence analysis is not based on conditions guaranteeing that every stationary point of the optimization problem is a solution of the GNEP.
Mixed quantum-classical equilibrium: Surface hopping.
Schmidt, J R; Parandekar, Priya V; Tully, John C
2008-07-28
We re-examine the analysis of the equilibrium limits of the fewest switches surface hopping algorithm for mixed quantum-classical dynamics. In contrast with previously reported results, we show that surface hopping does not, in general, exactly yield Boltzmann equilibrium, but that in practice the observed deviations are quite small. We also demonstrate that surface hopping does approach the exact equilibrium distribution in both the limits of small adiabatic splitting and/or strong nonadiabatic coupling. We verify these analytical results with numerical simulations for a simple two-level quantum system connected to a bath of classical particles.
Binary systems from quantum cluster equilibrium theory.
Brüssel, Marc; Perlt, Eva; Lehmann, Sebastian B C; von Domaros, Michael; Kirchner, Barbara
2011-11-21
An extension of the quantum cluster equilibrium theory to treat binary mixtures is introduced in this work. The necessary equations are derived and a possible implementation is presented. In addition an alternative sampling procedure using widely available experimental data for the quantum cluster equilibrium approach is suggested and tested. An illustrative example, namely, the binary mixture of water and dimethyl sulfoxide, is given to demonstrate the new approach. A basic cluster set is introduced containing the relevant cluster motifs. The populations computed by the quantum cluster equilibrium approach are compared to the experimental data. Furthermore, the excess Gibbs free energy is computed and compared to experiments as well.
A century of Hardy-Weinberg equilibrium.
Mayo, Oliver
2008-06-01
Hardy-Weinberg equilibrium (HWE) is the state of the genotypic frequency of two alleles of one autosomal gene locus after one discrete generation of random mating in an indefinitely large population: if the alleles are A and a with frequencies p and q(=1-p), then the equilibrium gene frequencies are simply p and q and the equilibrium genotypic frequencies for AA, Aa and aa are p2, 2pq and q2. It was independently identified in 1908 by G. H. Hardy and W. Weinberg after earlier attempts by W. E. Castle and K. Pearson. Weinberg, well known for pioneering studies of twins, made many important contributions to genetics, especially human genetics. Existence of this equilibrium provides a reference point against which the effects of selection, linkage, mutation, inbreeding and chance can be detected and estimated. Its discovery marked the initiation of population genetics.
Equilibrium Molecular Interactions in Pure Gases
Directory of Open Access Journals (Sweden)
Boris I. Sedunov
2012-01-01
Full Text Available The equilibrium molecular interactions in pure real gases are investigated based on the chemical thermodynamics principles. The parallels between clusters in real gases and chemical compounds in equilibrium media have been used to improve understanding of the real gas structure. A new approach to the equilibrium constants for the cluster fractions and new methods to compute them and their significant parameters from the experimental thermophysical data are developed. These methods have been applied to some real gases, such as Argon and Water vapors and gaseous Alkanes. It is shown that the four-particle clusters make a noticeable contribution in the thermophysical properties of the equilibrium Water vapor. It is shown also that the effective bond energy for dimers in Alkanes linearly grows with the number of carbon atoms in the molecule.
Equilibrium Reconstruction on the Large Helical Device
Energy Technology Data Exchange (ETDEWEB)
Samuel A. Lazerson, D. Gates, D. Monticello, H. Neilson, N. Pomphrey, A. Reiman S. Sakakibara, and Y. Suzuki
2012-07-27
Equilibrium reconstruction is commonly applied to axisymmetric toroidal devices. Recent advances in computational power and equilibrium codes have allowed for reconstructions of three-dimensional fields in stellarators and heliotrons. We present the first reconstructions of finite beta discharges in the Large Helical Device (LHD). The plasma boundary and magnetic axis are constrained by the pressure profile from Thomson scattering. This results in a calculation of plasma beta without a-priori assumptions of the equipartition of energy between species. Saddle loop arrays place additional constraints on the equilibrium. These reconstruction utilize STELLOPT, which calls VMEC. The VMEC equilibrium code assumes good nested flux surfaces. Reconstructed magnetic fields are fed into the PIES code which relaxes this constraint allowing for the examination of the effect of islands and stochastic regions on the magnetic measurements.
Computation of Phase Equilibrium and Phase Envelopes
DEFF Research Database (Denmark)
Ritschel, Tobias Kasper Skovborg; Jørgensen, John Bagterp
and 2) nonideal gases and liquids modeled with cubic equations of state. Next, we derive the equilibrium conditions for an isothermal-isobaric (constant temperature, constant pressure) vapor-liquid equilibrium process (PT flash), and we present a method for the computation of phase envelopes. We......In this technical report, we describe the computation of phase equilibrium and phase envelopes based on expressions for the fugacity coefficients. We derive those expressions from the residual Gibbs energy. We consider 1) ideal gases and liquids modeled with correlations from the DIPPR database...... formulate the involved equations in terms of the fugacity coefficients. We present expressions for the first-order derivatives. Such derivatives are necessary in computationally efficient gradient-based methods for solving the vapor-liquid equilibrium equations and for computing phase envelopes. Finally, we...
Referesher Course on Contemporary Non-Equilibrium ...
Indian Academy of Sciences (India)
Home; Journals; Resonance – Journal of Science Education; Volume 15; Issue 7. Referesher Course on Contemporary Non-Equilibrium Thermodynamics and Statistical Mechanics. Information and Announcements Volume 15 Issue 7 July 2010 pp 678-678 ...
Thermally Driven Elastic Micromachines
Hosaka, Yuto; Yasuda, Kento; Sou, Isamu; Okamoto, Ryuichi; Komura, Shigeyuki
2017-11-01
We discuss the directional motion of an elastic three-sphere micromachine in which the spheres are in equilibrium with independent heat baths having different temperatures. Even in the absence of prescribed motion of springs, such a micromachine can gain net motion purely because of thermal fluctuations. A relation connecting the average velocity and the temperatures of the spheres is analytically obtained. This velocity can also be expressed in terms of the average heat flows in the steady state. Our model suggests a new mechanism for the locomotion of micromachines in nonequilibrium biological systems.
Tanzania’s Equilibrium Real Exchange Rate
Niko A Hobdari
2008-01-01
Tanzania's real effective exchange rate (REER) has depreciated sharply since end-2000, reversing the appreciation that took place in the second half of the 1990s. Single-country and panel data estimates, and the external sustainability approach, suggest that Tanzania's REER is currently modestly undervalued relative to its estimated equilibrium level. Looking forward, a modest trend appreciation of the equilibrium REER is expected, consistent with continued high GDP growth and an expected rec...
The Cournot Equilibrium for n Firms
Directory of Open Access Journals (Sweden)
Gina Ioan
2015-05-01
Full Text Available Oligopoly is a market situation where there are a small number of bidders (at least two of a good non-substituent and a sufficient number of consumers. The paper analyses the Cournot equilibrium in both cases where each firm assumes the role of leadership and after when firms act simultaneously on market. There are obtained the equilibrium productions, maximum profits and sales price.
Equilibrium gels of limited valence colloids
Sciortino, Francesco; Zaccarelli, Emanuela
2017-01-01
Gels are low-packing arrested states of matter which are able to support stress. On cooling, limited valence colloidal particles form open networks stabilized by the progressive increase of the interparticle bond lifetime. These gels, named equilibrium gels, are the focus of this review article. Differently from other types of colloidal gels, equilibrium gels do not require an underlying phase separation to form. Oppositely, they form in a region of densities deprived of thermodynamic instabi...
Thermodynamics and fluctuations far from equilibrium
Ross, John
2008-01-01
This book deals with the formulation of the thermodynamics of chemical and other systems far from equilibrium, including connections to fluctuations. It contains applications to non-equilibrium stationary states and approaches to such states, systems with multiple stationary states, stability and equi-stability conditions, reaction diffusion systems, transport properties, and electrochemical systems. The theoretical treatment is complemented by experimental results to substantiate the formulation. Dissipation and efficiency are analyzed in autonomous and externally forced reactions, including several biochemical systems.
Internal equilibrium layer growth over forest
DEFF Research Database (Denmark)
Dellwik, E.; Jensen, N.O.
2000-01-01
the magnitude of the scatter. Different theoretical friction velocity profiles for the Internal Boundary Layer (IBL) are tested against the forest data. The results yield information on the Internal Equilibrium Layer (IEL) growth and an equation for the IEL height fur neutral conditions is derived. For stable...... conditions the results indicate that very long fetches are required in order to measure parameters in equilibrium with the actual surface....
Non-equilibrium dog-flea model
Ackerson, Bruce J.
2017-11-01
We develop the open dog-flea model to serve as a check of proposed non-equilibrium theories of statistical mechanics. The model is developed in detail. Then it is applied to four recent models for non-equilibrium statistical mechanics. Comparison of the dog-flea solution with these different models allows checking claims and giving a concrete example of the theoretical models.
The effect of time-dependent coupling on non-equilibrium steady states
DEFF Research Database (Denmark)
Cornean, Horia; Neidhardt, Hagen; Zagrebnov, Valentin
Consider (for simplicity) two one-dimensional semi-infinite leads coupled to a quantum well via time dependent point interactions. In the remote past the system is decoupled, and each of its components is at thermal equilibrium. In the remote future the system is fully coupled. We define...... and compute the non equilibrium steady state (NESS) generated by this evolution. We show that when restricted to the subspace of absolute continuity of the fully coupled system, the state does not depend at all on the switching. Moreover, we show that the stationary charge current has the same invariant...
The effect of time-dependent coupling on non-equilibrium steady states
DEFF Research Database (Denmark)
Cornean, Horia; Neidhardt, Hagen; Zagrebnov, Valentin A.
2009-01-01
Consider (for simplicity) two one-dimensional semi-infinite leads coupled to a quantum well via time dependent point interactions. In the remote past the system is decoupled, and each of its components is at thermal equilibrium. In the remote future the system is fully coupled. We define...... and compute the non equilibrium steady state (NESS) generated by this evolution. We show that when restricted to the subspace of absolute continuity of the fully coupled system, the state does not depend at all on the switching. Moreover, we show that the stationary charge current has the same invariant...
Antipov, Andrey E.; Dong, Qiaoyuan; Kleinhenz, Joseph; Cohen, Guy; Gull, Emanuel
2017-02-01
We generalize the recently developed inchworm quantum Monte Carlo method to the full Keldysh contour with forward, backward, and equilibrium branches to describe the dynamics of strongly correlated impurity problems with time-dependent parameters. We introduce a method to compute Green's functions, spectral functions, and currents for inchworm Monte Carlo and show how systematic error assessments in real time can be obtained. We then illustrate the capabilities of the algorithm with a study of the behavior of quantum impurities after an instantaneous voltage quench from a thermal equilibrium state.
An analytical model of crater count equilibrium
Hirabayashi, Masatoshi; Minton, David A.; Fassett, Caleb I.
2017-06-01
Crater count equilibrium occurs when new craters form at the same rate that old craters are erased, such that the total number of observable impacts remains constant. Despite substantial efforts to understand this process, there remain many unsolved problems. Here, we propose an analytical model that describes how a heavily cratered surface reaches a state of crater count equilibrium. The proposed model formulates three physical processes contributing to crater count equilibrium: cookie-cutting (simple, geometric overlap), ejecta-blanketing, and sandblasting (diffusive erosion). These three processes are modeled using a degradation parameter that describes the efficiency for a new crater to erase old craters. The flexibility of our newly developed model allows us to represent the processes that underlie crater count equilibrium problems. The results show that when the slope of the production function is steeper than that of the equilibrium state, the power law of the equilibrium slope is independent of that of the production function slope. We apply our model to the cratering conditions in the Sinus Medii region and at the Apollo 15 landing site on the Moon and demonstrate that a consistent degradation parameterization can successfully be determined based on the empirical results of these regions. Further developments of this model will enable us to better understand the surface evolution of airless bodies due to impact bombardment.
Rapid thermal processing and beyond applications in semiconductor processing
Lerch, W
2008-01-01
Heat-treatment and thermal annealing are very common processing steps which have been employed during semiconductor manufacturing right from the beginning of integrated circuit technology. In order to minimize undesired diffusion, and other thermal budget-dependent effects, the trend has been to reduce the annealing time sharply by switching from standard furnace batch-processing (involving several hours or even days), to rapid thermal processing involving soaking times of just a few seconds. This transition from thermal equilibrium, to highly non-equilibrium, processing was very challenging a
Khanh, Phan Quoc; Plubtieng, Somyot; Sombut, Kamonrat
2014-01-01
The purpose of this paper is introduce several types of Levitin-Polyak well-posedness for bilevel vector equilibrium and optimization problems with equilibrium constraints. Base on criterion and characterizations for these types of Levitin-Polyak well-posedness we argue on diameters and Kuratowski’s, Hausdorff’s, or Istrǎtescus measures of noncompactness of approximate solution sets under suitable conditions, and we prove the Levitin-Polyak well-posedness for bilevel vector equilibrium and op...
Directory of Open Access Journals (Sweden)
Zhixin Yang
Full Text Available The onset of double diffusive convection in a viscoelastic fluid-saturated porous layer is studied when the fluid and solid phase are not in local thermal equilibrium. The modified Darcy model is used for the momentum equation and a two-field model is used for energy equation each representing the fluid and solid phases separately. The effect of thermal non-equilibrium on the onset of double diffusive convection is discussed. The critical Rayleigh number and the corresponding wave number for the exchange of stability and over-stability are obtained, and the onset criterion for stationary and oscillatory convection is derived analytically and discussed numerically.
Yang, Zhixin; Wang, Shaowei; Zhao, Moli; Li, Shucai; Zhang, Qiangyong
2013-01-01
The onset of double diffusive convection in a viscoelastic fluid-saturated porous layer is studied when the fluid and solid phase are not in local thermal equilibrium. The modified Darcy model is used for the momentum equation and a two-field model is used for energy equation each representing the fluid and solid phases separately. The effect of thermal non-equilibrium on the onset of double diffusive convection is discussed. The critical Rayleigh number and the corresponding wave number for the exchange of stability and over-stability are obtained, and the onset criterion for stationary and oscillatory convection is derived analytically and discussed numerically.
Out-of-equilibrium chiral magnetic effect from chiral kinetic theory
Huang, Anping; Jiang, Yin; Shi, Shuzhe; Liao, Jinfeng; Zhuang, Pengfei
2018-02-01
Recently there has been significant interest in the macroscopic manifestation of chiral anomaly in many-body systems of chiral fermions. A notable example is the Chiral Magnetic Effect (CME). Enthusiastic efforts have been made to search for the CME in the quark-gluon plasma created in heavy ion collisions. A crucial challenge is that the extremely strong magnetic field in such collisions may last only for a brief moment and the CME current may have to occur at so early a stage that the quark-gluon matter is still far from thermal equilibrium. This thus requires modeling of the CME in an out-of-equilibrium setting. With the recently developed theoretical tool of chiral kinetic theory, we make a first phenomenological study of the CME-induced charge separation during the pre-thermal stage in heavy ion collisions. The effect is found to be very sensitive to the time dependence of the magnetic field and also influenced by the initial quark momentum spectrum as well as the relaxation time of the system evolution toward thermal equilibrium. Within the present approach, such pre-thermal charge separation is found to be modest.
How Does Folding Modulate Thermal Conductivity of Graphene
Yang, Nuo; Ni, Xiaoxi; Jiang, Jin-Wu; Li, Baowen
2012-01-01
We study thermal transport in folded graphene nanoribbons using molecular dynamics simulations and the non-equilibrium Green's function method. It is found that the thermal conductivity of flat graphene nanoribbons can be modulated by folding and changing interlayer couplings. The analysis of transmission reveals that the reduction of thermal conductivity is due to scattering of low frequency phonons by the folds. Our results suggest that folding can be utilized in the modulation of thermal t...
Out-of-equilibrium quantum field dynamics in external fields
Energy Technology Data Exchange (ETDEWEB)
Cao, F.J. [Universidad Complutense de Madrid, Departamento Fisica Atomica, Molecular y Nuclear, Madrid (Spain); LERMA, Observatoire de Paris, Laboratoire Associe au CNRS UMR 8112, Paris (France)
2007-03-15
The quantum dynamics of the symmetry-broken {lambda}({phi} {sup 2}){sup 2} scalar-field theory in the presence of an homogeneous external field is investigated in the large-N limit. We consider an initial thermal state of temperature T for a constant external field J. A subsequent sign flip of the external field, J{yields}-J, gives rise to an out-of-equilibrium nonperturbative quantum field dynamics. We review here the dynamics for the symmetry-broken {lambda}({phi}{sup 2}){sup 2} scalar N component field theory in the large-N limit, with particular stress in the comparison between the results when the initial temperature is zero and when it is finite. The presence of a finite temperature modifies the dynamical effective potential for the expectation value, and also makes that the transition between the two regimes of the early dynamics occurs for lower values of the external field. The two regimes are characterized by the presence or absence of a temporal trapping close to the metastable equilibrium position of the potential. In the cases when the trapping occurs it is shorter for larger initial temperatures. (orig.)
Gating Classical Information Flow via Equilibrium Quantum Phase Transitions.
Banchi, Leonardo; Fernández-Rossier, Joaquín; Hirjibehedin, Cyrus F; Bose, Sougato
2017-04-07
The development of communication channels at the ultimate size limit of atomic scale physical dimensions will make the use of quantum entities an imperative. In this regime, quantum fluctuations naturally become prominent and are generally considered to be detrimental. Here, we show that for spin-based information processing, these fluctuations can be uniquely exploited to gate the flow of classical binary information across a magnetic chain in thermal equilibrium. Moreover, this information flow can be controlled with a modest external magnetic field that drives the system through different many-body quantum phases in which the orientation of the final spin does or does not reflect the orientation of the initial input. Our results are general for a wide class of anisotropic spin chains that act as magnetic cellular automata and suggest that quantum phase transitions play a unique role in driving classical information flow at the atomic scale.
Estimation of Paddy Equilibrium Moisture Sorption Using ANNs
Amiri Chayjan, R.; Moazez, Y.
In this research, Artificial Neural Networks (ANNs) used for prediction of Equilibrium Moisture Content (EMC) of three varieties of paddy (Sadri, Tarom and Khazar) as a new method. Feed forward back propagation and cascade forward back propagation networks with Levenberg-Marquardt and Bayesian regularization training algorithms used for training of input patterns. Optimized trained network has the ability of EMC prediction to test patterns at thermal boundary of 20-40°C and relative humidity boundary of 13.5-87% with R2 = 0.9929 and mean absolute error 0.0229. Comparison between optimized ANN result and empirical model of Henderson showed that artificial neural network not only can simultaneously predict the EMC of samples of all varieties but also has better coefficient of determination and less mean absolute error.
Anharmonic effects in the quantum cluster equilibrium method
von Domaros, Michael; Perlt, Eva
2017-03-01
The well-established quantum cluster equilibrium (QCE) model provides a statistical thermodynamic framework to apply high-level ab initio calculations of finite cluster structures to macroscopic liquid phases using the partition function. So far, the harmonic approximation has been applied throughout the calculations. In this article, we apply an important correction in the evaluation of the one-particle partition function and account for anharmonicity. Therefore, we implemented an analytical approximation to the Morse partition function and the derivatives of its logarithm with respect to temperature, which are required for the evaluation of thermodynamic quantities. This anharmonic QCE approach has been applied to liquid hydrogen chloride and cluster distributions, and the molar volume, the volumetric thermal expansion coefficient, and the isobaric heat capacity have been calculated. An improved description for all properties is observed if anharmonic effects are considered.
Renormalization out of equilibrium in a superrenormalizable theory
Garny, Mathias
2016-01-01
We discuss the renormalization of the initial value problem in Nonequilibrium Quantum Field Theory within a simple, yet instructive, example and show how to obtain a renormalized time evolution for the two-point functions of a scalar field and its conjugate momentum at all times. The scheme we propose is applicable to systems that are initially far from equilibrium and compatible with non-secular approximation schemes which capture thermalization. It is based on Kadanoff-Baym equations for non-Gaussian initial states, complemented by usual vacuum counterterms. We explicitly demonstrate how various cutoff-dependent effects peculiar to nonequilibrium systems, including time-dependent divergences or initial-time singularities, are avoided by taking an initial non-Gaussian three-point vacuum correlation into account.
Gating Classical Information Flow via Equilibrium Quantum Phase Transitions
Banchi, Leonardo; Rossier-Fernández, Joaquín; Hirjibehedin, Cyrus F.; Bose, Sougato
2017-04-01
The development of communication channels at the ultimate size limit of atomic scale physical dimensions will make the use of quantum entities an imperative. In this regime, quantum fluctuations naturally become prominent and are generally considered to be detrimental. Here, we show that for spin-based information processing, these fluctuations can be uniquely exploited to gate the flow of classical binary information across a magnetic chain in thermal equilibrium. Moreover, this information flow can be controlled with a modest external magnetic field that drives the system through different many-body quantum phases in which the orientation of the final spin does or does not reflect the orientation of the initial input. Our results are general for a wide class of anisotropic spin chains that act as magnetic cellular automata and suggest that quantum phase transitions play a unique role in driving classical information flow at the atomic scale.
Structure and thermal expansion of liquid bismuth
Directory of Open Access Journals (Sweden)
Mudry S.
2015-12-01
Full Text Available Experimental structural data for liquid Bi were used for estimation of the main structure parameters as well as the thermal expansion coefficient both in supercooled and superheated temperature ranges. It was shown that the equilibrium melt had a positive thermal expansion coefficient within a temperature range upon melting and a negative one at higher temperatures. The former was related to structure changes upon melting, whereas the latter with topologic disordering upon further heating. It was found that the superheated melt had a negative thermal expansion coefficient. The results obtained from structural data were compared with the thermal expansion coefficient calculated from the data of density for liquid Bi.
Mesoscopic non-equilibrium thermodynamics of non-isothermal reaction-diffusion.
Bedeaux, D; Pagonabarraga, I; Ortiz de Zárate, J M; Sengers, J V; Kjelstrup, S
2010-10-21
We show how the law of mass action can be derived from a thermodynamic basis, in the presence of temperature gradients, chemical potential gradients and hydrodynamic flow. The solution gives the law of mass action for the forward and the reverse contributions to the net chemical reaction. In addition we derive the fluctuation-dissipation theorem for the fluctuating contributions to the reaction rate, heat flux and mass fluxes. All these results arise without any other assumptions than those which are common in mesoscopic non-equilibrium thermodynamics; namely quasi-stationary transport across a high activation energy barrier, and local equilibrium along the reaction coordinate. Arrhenius-type behaviour of the kinetic coefficients is recovered. The thermal conductivity, Soret coefficient and diffusivity are significantly influenced by the presence of a chemical reaction. We thus demonstrate how chemical reactions can be fully reconciled with non-equilibrium thermodynamics.
Exploration of the equilibrium operating space for NSTX-Upgrade
Gerhardt, S. P.; Andre, R.; Menard, J. E.
2012-08-01
This paper explores a range of high-performance equilibrium scenarios achievable with neutral beam heating in the NSTX-Upgrade device (Menard J.E. 2012 Nucl. Fusion 52 083015). NSTX-Upgrade is a substantial upgrade to the existing NSTX device (Ono M. et al 2000 Nucl. Fusion 40 557), with significantly higher toroidal field and solenoid capabilities, and three additional neutral beam sources with significantly larger current-drive efficiency. Equilibria are computed with free-boundary TRANSP, allowing a self-consistent calculation of the non-inductive current-drive sources, the plasma equilibrium and poloidal-field coil currents, using the realistic device geometry. The thermal profiles are taken from a variety of existing NSTX discharges, and different assumptions for the thermal confinement scalings are utilized. The no-wall and ideal-wall n = 1 stability limits are computed with the DCON code. The central and minimum safety factors are quite sensitive to many parameters: they generally increase with large outer plasma-wall gaps and higher density, but can have either trend with the confinement enhancement factor. In scenarios with strong central beam current drive, the inclusion of non-classical fast-ion diffusion raises qmin, decreases the pressure peaking, and generally improves the global stability, at the expense of a reduction in the non-inductive current-drive fraction; cases with less beam current drive are largely insensitive to additional fast-ion diffusion. The non-inductive current level is quite sensitive to the underlying confinement and profile assumptions. For instance, for BT = 1.0 T and Pinj = 12.6 MW, the non-inductive current level varies from 875 kA with ITER-98y,2 thermal confinement scaling and narrow thermal profiles to 1325 kA for an ST specific scaling expression and broad profiles. Scenarios are presented which can be sustained for 8-10 s, or (20-30) τCR, at βN = 3.8-4.5. The value of qmin can be controlled at either fixed non
Dannhauser, Walter
1980-01-01
Described is an experiment designed to provide an experimental basis for a unifying point of view (utilizing theoretical framework and chemistry laboratory experiments) for physical chemistry students. Three experiments are described: phase equilibrium, chemical equilibrium, and a test of the third law of thermodynamics. (Author/DS)
Valeriani, C.; Allen, R.J.; Morelli, M.J.; Frenkel, D.; ten Wolde, P.R.
2009-01-01
We present a method for computing stationary distributions for activated processes in equilibrium and non-equilibrium systems using Forward Flux Sampling (FFS). In this method, the stationary distributions are obtained directly from the rate constant calculations for the forward and backward
Equilibrium and pre-equilibrium calculations of cross-sections of (p ...
Indian Academy of Sciences (India)
Equilibrium and pre-equilibrium calculations of cross-sections of (, ) reactions on 89Y, 90Zr and 94Mo targets used for the production of 89Zr, 90Nb and 94Tc ... Bülent Ecevit University, 67100 Zonguldak, Turkey; Faculty of Arts and Science, Department of Physics, Osmaniye Korkut Ata University, Osmaniye, Turkey ...
Phase Equilibrium Modeling for Shale Production Simulation
DEFF Research Database (Denmark)
Sandoval Lemus, Diego Rolando
simulator, which was then used to assess the impact of the capillary pressure on phase behavior in oil and gas production from tight reservoirs. Since capillary pressure and adsorption occur simultaneously in shale, its combined effect was studied. A model comparison for high-pressure adsorption in shale...... is presented. The adsorption data in shale is generally scarce, therefore, additional capabilities besides the accuracy were considered in the comparison. The multicomponent potential theory of adsorption yields the best results. Moreover, it shows to be useful to extrapolate adsorption data for hydrocarbons...... calculation tools for phase equilibrium in porous media with capillary pressure and adsorption effects. Analysis using these tools have shown that capillary pressure and adsorption have non-negligible effects on phase equilibrium in shale. As general tools, they can be used to calculate phase equilibrium...
Module description of TOKAMAK equilibrium code MEUDAS
Energy Technology Data Exchange (ETDEWEB)
Suzuki, Masaei; Hayashi, Nobuhiko; Matsumoto, Taro; Ozeki, Takahisa [Japan Atomic Energy Research Inst., Naka, Ibaraki (Japan). Naka Fusion Research Establishment
2002-01-01
The analysis of an axisymmetric MHD equilibrium serves as a foundation of TOKAMAK researches, such as a design of devices and theoretical research, the analysis of experiment result. For this reason, also in JAERI, an efficient MHD analysis code has been developed from start of TOKAMAK research. The free boundary equilibrium code ''MEUDAS'' which uses both the DCR method (Double-Cyclic-Reduction Method) and a Green's function can specify the pressure and the current distribution arbitrarily, and has been applied to the analysis of a broad physical subject as a code having rapidity and high precision. Also the MHD convergence calculation technique in ''MEUDAS'' has been built into various newly developed codes. This report explains in detail each module in ''MEUDAS'' for performing convergence calculation in solving the MHD equilibrium. (author)
Non-Equilibrium Thermodynamics in Multiphase Flows
Mauri, Roberto
2013-01-01
Non-equilibrium thermodynamics is a general framework that allows the macroscopic description of irreversible processes. This book introduces non-equilibrium thermodynamics and its applications to the rheology of multiphase flows. The subject is relevant to graduate students in chemical and mechanical engineering, physics and material science. This book is divided into two parts. The first part presents the theory of non-equilibrium thermodynamics, reviewing its essential features and showing, when possible, some applications. The second part of this book deals with how the general theory can be applied to model multiphase flows and, in particular, how to determine their constitutive relations. Each chapter contains problems at the end, the solutions of which are given at the end of the book. No prior knowledge of statistical mechanics is required; the necessary prerequisites are elements of transport phenomena and on thermodynamics. “The style of the book is mathematical, but nonetheless it remains very re...
Communication: Microphase equilibrium and assembly dynamics
Zhuang, Yuan; Charbonneau, Patrick
2017-09-01
Despite many attempts, ordered equilibrium microphases have yet to be obtained in experimental colloidal suspensions. The recent computation of the equilibrium phase diagram of a microscopic, particle-based microphase former [Zhuang et al., Phys. Rev. Lett. 116, 098301 (2016)] has nonetheless found such mesoscale assemblies to be thermodynamically stable. Here, we consider their equilibrium and assembly dynamics. At intermediate densities above the order-disorder transition, we identify four different dynamical regimes and the structural changes that underlie the dynamical crossovers from one disordered regime to the next. Below the order-disorder transition, we also find that periodic lamellae are the most dynamically accessible of the periodic microphases. Our analysis thus offers a comprehensive view of the dynamics of disordered microphases and a route to the assembly of periodic microphases in a putative well-controlled, experimental system.
Interfaces at equilibrium: A guide to fundamentals.
Marmur, Abraham
2017-06-01
The fundamentals of the thermodynamics of interfaces are reviewed and concisely presented. The discussion starts with a short review of the elements of bulk thermodynamics that are also relevant to interfaces. It continues with the interfacial thermodynamics of two-phase systems, including the definition of interfacial tension and adsorption. Finally, the interfacial thermodynamics of three-phase (wetting) systems is discussed, including the topic of non-wettable surfaces. A clear distinction is made between equilibrium conditions, in terms of minimizing energies (internal, Gibbs or Helmholtz), and equilibrium indicators, in terms of measurable, intrinsic properties (temperature, chemical potential, pressure). It is emphasized that the equilibrium indicators are the same whatever energy is minimized, if the boundary conditions are properly chosen. Also, to avoid a common confusion, a distinction is made between systems of constant volume and systems with drops of constant volume. Copyright © 2016 Elsevier B.V. All rights reserved.
On financial equilibrium with intermediation costs
DEFF Research Database (Denmark)
Markeprand, Tobias Ejnar
2008-01-01
This paper studies the set of competitive equilibria in financial economies with intermediation costs. We consider an arbitrary dividend structure, which includes options and equity with limited liabilities.We show a general existence result and upper-hemi continuity of the equilibrium correspond......This paper studies the set of competitive equilibria in financial economies with intermediation costs. We consider an arbitrary dividend structure, which includes options and equity with limited liabilities.We show a general existence result and upper-hemi continuity of the equilibrium...... correspondence. Finally, we prove that when intermediation costs approach zero, unbounded volume of asset trades is a necessary and sufficient condition, provided that, there is no financial equilibrium without intermediation costs....
46 CFR 42.20-12 - Conditions of equilibrium.
2010-10-01
... 46 Shipping 2 2010-10-01 2010-10-01 false Conditions of equilibrium. 42.20-12 Section 42.20-12... BY SEA Freeboards § 42.20-12 Conditions of equilibrium. The following conditions of equilibrium are... stability. Through an angle of 20 degrees beyond its position of equilibrium, the vessel must meet the...
Statistical equilibrium equations for trace elements in stellar atmospheres
Kubat, Jiri
2010-01-01
The conditions of thermodynamic equilibrium, local thermodynamic equilibrium, and statistical equilibrium are discussed in detail. The equations of statistical equilibrium and the supplementary equations are shown together with the expressions for radiative and collisional rates with the emphasize on the solution for trace elements.
14 CFR 67.305 - Ear, nose, throat, and equilibrium.
2010-01-01
... 14 Aeronautics and Space 2 2010-01-01 2010-01-01 false Ear, nose, throat, and equilibrium. 67.305..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a third-class airman... by, or that may reasonably be expected to be manifested by, vertigo or a disturbance of equilibrium. ...
14 CFR 67.105 - Ear, nose, throat, and equilibrium.
2010-01-01
... 14 Aeronautics and Space 2 2010-01-01 2010-01-01 false Ear, nose, throat, and equilibrium. 67.105..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a first-class airman... may reasonably be expected to be manifested by, vertigo or a disturbance of equilibrium. ...
14 CFR 67.205 - Ear, nose, throat, and equilibrium.
2010-01-01
... 14 Aeronautics and Space 2 2010-01-01 2010-01-01 false Ear, nose, throat, and equilibrium. 67.205..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a second-class airman..., vertigo or a disturbance of equilibrium. ...
Putting A Human Face on Equilibrium
Glickstein, Neil
2005-03-01
A short biography of chemist Fritz Haber is used to personalize the abstract concepts of equilibrium chemistry for high school students in an introductory course. In addition to giving the Haber Bosch process an historic, an economic, and a scientific background the reading and subsequent discussion allows students for whom the human perspective is of paramount importance a chance to investigate the irony of balance or equilibrium in Haber's life story. Since the inclusion of the Haber biography, performance in the laboratory and on examinations for those students who are usually only partially engaged has dramatically improved.
Quantum gambling based on Nash-equilibrium
Zhang, Pei; Zhou, Xiao-Qi; Wang, Yun-Long; Liu, Bi-Heng; Shadbolt, Pete; Zhang, Yong-Sheng; Gao, Hong; Li, Fu-Li; O'Brien, Jeremy L.
2017-06-01
The problem of establishing a fair bet between spatially separated gambler and casino can only be solved in the classical regime by relying on a trusted third party. By combining Nash-equilibrium theory with quantum game theory, we show that a secure, remote, two-party game can be played using a quantum gambling machine which has no classical counterpart. Specifically, by modifying the Nash-equilibrium point we can construct games with arbitrary amount of bias, including a game that is demonstrably fair to both parties. We also report a proof-of-principle experimental demonstration using linear optics.
Entropy and equilibrium via games of complexity
Topsøe, Flemming
2004-09-01
It is suggested that thermodynamical equilibrium equals game theoretical equilibrium. Aspects of this thesis are discussed. The philosophy is consistent with maximum entropy thinking of Jaynes, but goes one step deeper by deriving the maximum entropy principle from an underlying game theoretical principle. The games introduced are based on measures of complexity. Entropy is viewed as minimal complexity. It is demonstrated that Tsallis entropy ( q-entropy) and Kaniadakis entropy ( κ-entropy) can be obtained in this way, based on suitable complexity measures. A certain unifying effect is obtained by embedding these measures in a two-parameter family of entropy functions.
A class of almost equilibrium states in Robertson-Walker spacetimes
Energy Technology Data Exchange (ETDEWEB)
Kueskue, Muharrem
2008-11-06
In quantum field theory in curved spacetimes the construction of the algebra of observables of linear fields is today well understood. However, it remains a non-trivial task to construct physically meaningful states on the algebra. For instance, we are in the unsatisfactory situation that there exist no examples of states suited to describe local thermal equilibrium in a non-stationary spacetime. In this thesis, we construct a class of states for the Klein-Gordon field in Robertson-Walker spacetimes, which seem to provide the first example of thermal states in a spacetime without time translation symmetry. More precisely, in the setting of real, linear, scalar fields in Robertson-Walker spacetimes we define on the set of homogeneous, isotropic, quasi-free states a free energy functional that is based on the averaged energy density measured by an isotropic observer along his worldline. This functional is well defined and lower bounded by a suitable quantum energy inequality. Subsequently, we minimize this functional and obtain states that we interpret as 'almost equilibrium states'. It turns out that the states of low energy are the ground states of the almost equilibrium states. Finally, we prove that the almost equilibrium states satisfy the Hadamard condition, which qualifies them as physically meaningful states. (orig.)
Estimation of the equilibrium formation temperature in the presence of bore fluid invasion
DEFF Research Database (Denmark)
Poulsen, Søren Erbs; Nielsen, S.B.; Balling, N.
2012-01-01
Bottom hole temperatures (BHTs) measured during drilling operations are thermally disturbed by the drilling process. This paper presents a method, CSMI (Cylindrical Source Model with Invasion of bore mud filtrate), for estimating equilibrium formation temperatures with probability distributions...... from BHT measurements in the presence of bore fluid invasion. The scheme is based on finite element analysis in conjunction with Markov chain Monte Carlo inversion. The axisymmetric forward model assumes a cylindrical source of finite radius and contrasting thermal parameters, which includes...... the possibility of invasion (advection) of mud filtrate into the formation. In a synthetic example, it is demonstrated that given bore fluid invasion and a low and high temperature of the bore mud and formation, respectively, the equilibrium formation temperature and the uncertainty hereon is underestimated...
Thermalization through unitary evolution of pure states
Skrøvseth, Stein Olav
2006-01-01
The unitary time evolution of a critical quantum spin chain with an impurity is calculated, and the entanglement evolution is shown. Moreover, we show that the reduced density matrix of a part of the chain evolves such that the fidelity of its spectrum is very high with respect to a state in thermal equilibrium. Hence, a thermal state occurs through unitary time evolution in a simple spin chain with impurity.
Tidal evolution of close binary stars. I - Revisiting the theory of the equilibrium tide
Zahn, J.-P.
1989-01-01
The theory of the equilibrium tide in stars that possess a convective envelope is reexamined critically, taking recent developments into account and treating thermal convection in the most consistent way within the mixing-length approach. The weak points are identified and discussed, in particular, the reduction of the turbulent viscosity when the tidal period becomes shorter than the convective turnover time. An improved version is derived for the secular equations governing the dynamical evolution of close binaries of such type.
Heat transfer in porous medium embedded with vertical plate: Non-equilibrium approach - Part A
Energy Technology Data Exchange (ETDEWEB)
Badruddin, Irfan Anjum [Dept. of Mechanical Engineering, University of Malaya, Kuala Lumpur, 50603 (Malaysia); Quadir, G. A. [School of Mechatronic Engineering, University Malaysia Perlis, Pauh Putra, 02600 Arau, Perlis (Malaysia)
2016-06-08
Heat transfer in a porous medium embedded with vertical flat plate is investigated by using thermal non-equilibrium model. Darcy model is employed to simulate the flow inside porous medium. It is assumed that the heat transfer takes place by natural convection and radiation. The vertical plate is maintained at isothermal temperature. The governing partial differential equations are converted into non-dimensional form and solved numerically using finite element method. Results are presented in terms of isotherms and streamlines for various parameters such as heat transfer coefficient parameter, thermal conductivity ratio, and radiation parameter.
Fluctuation-dissipation theorem in isolated quantum systems out of equilibrium
Khatami, Ehsan; Pupillo, Guido; Srednicki, Mark; Rigol, Marcos
2014-05-01
We study the validity of the fluctuation-dissipation theorem for an isolated quantum system of harmonically trapped dipolar molecules taken out of equilibrium by means of a quench, a sudden change in the Hamiltonian parameters. We find that the integrability of the system plays a crucial role in the validity of the fluctuation-dissipation theorem. Namely, the system thermalizes according to the eigenstate thermalization hypothesis and the theorem holds if the system is nonintegrable after the quench. However, it fails if the system is integrable, unless the initial state is an eigenstate of a nonintegrable Hamiltonian, in which case the system still thermalizes despite the eigenstate thermalization hypothesis failing to describe it.
CSIR Research Space (South Africa)
Osburn, L
2010-01-01
Full Text Available wider range of temperature limits, saving energy while still satisfying the majority of building occupants. It is also noted that thermal comfort varies significantly between individuals and it is generally not possible to provide a thermal environment...
On the Existence of Evolutionary Learning Equilibriums
Directory of Open Access Journals (Sweden)
Masudul Alam Choudhury
2011-12-01
Full Text Available The usual kinds of Fixed-Point Theorems formalized on the existence of competitive equilibrium that explain much of economic theory at the core of economics can operate only on bounded and closed sets with convex mappings. But these conditions are hardly true of the real world of economic and financial complexities and perturbations. The category of learning sets explained by continuous fields of interactive, integrative and evolutionary behaviour caused by dynamic preferences at the individual and institutional and social levels cannot maintain the assumption of closed, bounded and convex sets. Thus learning sets and multi-system inter-temporal relations explained by pervasive complementarities and participation between variables and entities, and evolution by learning, have evolutionary equilibriums. Such a study requires a new methodological approach. This paper formalizes such a methodology for evolutionary equilibriums in learning spaces. It briefly points out the universality of learning equilibriums in all mathematical structures. For a particular case though, the inter-systemic interdependence between sustainable development and ethics and economics in the specific understanding of learning domain is pointed out.
Chronic dehydration affects hydroelectrolytic equilibrium and ...
African Journals Online (AJOL)
Chronic dehydration affects hydroelectrolytic equilibrium and adrenal gland morphology in wistar rat: comparison with Gerbillus tarabuli. ... given free access to tap water); ii) dehydrated rats (n=8) given 2% NaCl solution ad libitum for 7 days and (iii) G.tarabuli (n=6) given barely seeds ad libitum without access to water.
Group Contribution Methods for Phase Equilibrium Calculations.
Gmehling, Jürgen; Constantinescu, Dana; Schmid, Bastian
2015-01-01
The development and design of chemical processes are carried out by solving the balance equations of a mathematical model for sections of or the whole chemical plant with the help of process simulators. For process simulation, besides kinetic data for the chemical reaction, various pure component and mixture properties are required. Because of the great importance of separation processes for a chemical plant in particular, a reliable knowledge of the phase equilibrium behavior is required. The phase equilibrium behavior can be calculated with the help of modern equations of state or g(E)-models using only binary parameters. But unfortunately, only a very small part of the experimental data for fitting the required binary model parameters is available, so very often these models cannot be applied directly. To solve this problem, powerful predictive thermodynamic models have been developed. Group contribution methods allow the prediction of the required phase equilibrium data using only a limited number of group interaction parameters. A prerequisite for fitting the required group interaction parameters is a comprehensive database. That is why for the development of powerful group contribution methods almost all published pure component properties, phase equilibrium data, excess properties, etc., were stored in computerized form in the Dortmund Data Bank. In this review, the present status, weaknesses, advantages and disadvantages, possible applications, and typical results of the different group contribution methods for the calculation of phase equilibria are presented.
Static Equilibrium Configurations of Charged Metallic Bodies
African Journals Online (AJOL)
Rwanda Journal, Volume 27 Series C, 2012: Mathematical Sciences, Engineering and Technology. 13 electromagnetic phenomena is highly needed. This paper studied one of these phenomena, the static equilibrium configurations of charged metallic bodies. The mathematical model of the problem that we investigate in ...
Non-equilibrium thermodynamics and physical kinetics
Bikkin, Halid
2014-01-01
This graduate textbook covers contemporary directions of non-equilibrium statistical mechanics as well as classical methods of kinetics. With one of the main propositions being to avoid terms such as "obviously" and "it is easy to show", this treatise is an easy-to-read introduction into this traditional, yet vibrant field.
[Maximum entropy principle and population genetic equilibrium].
Wang, Xiao-Long; Yuan, Zhi-Fa; Guo, Man-Cai; Song, Shi-De; Zhang, Quan-Qi; Bao, Zhen-Min
2002-06-01
A general mathematic model of population genetic equilibrium was constructed based on the maximum entropy principle. We proved that the maximum entropy probability distribution was equivalent to the Hardy-Weinberg equilibrium law. A population reached genetic equilibrium when the genotype entropy of the population reached the maximal possible value. In information theory, the entropy or the information content is used to measure the uncertainty of a system. In population genetics, we can use entropy to measure the uncertainty of the genotype of a population. The agreement of the maximum entropy principle and the hardy-Weinberg equilibrium law indicated that random crossing is an irreversible process, which increases the genotype entropy of the population, while inbreeding and selection decrease the genotype entropy of the population. In animal or plant breeding, we often use selection and/or inbreeding to decrease the entropy of a population, and use intercrossing to increase the entropy of the population. In this point of view, breeding is actually regulating the entropy of population. By applying the basic principle of informatics in population genetics, we revealed the biological significance of the genotype entropy and demonstrated that we can work over population genetic problems with the principles and methods of informatics and cybernetics.
Considerations on the genetic equilibrium law
Camosso, Simone
2016-01-01
In the first part of the paper I will present a brief review on the Hardy-Weinberg equilibrium and its formulation in projective algebraic geometry. In the second and last part I will discuss examples and generalizations on the topic.
A Progression of Static Equilibrium Laboratory Exercises
Kutzner, Mickey; Kutzner, Andrew
2013-01-01
Although simple architectural structures like bridges, catwalks, cantilevers, and Stonehenge have been integral in human societies for millennia, as have levers and other simple tools, modern students of introductory physics continue to grapple with Newton's conditions for static equilibrium. As formulated in typical introductory physics…
Equilibrium-torus bifurcation in nonsmooth systems
DEFF Research Database (Denmark)
Zhusubahyev, Z.T.; Mosekilde, Erik
2008-01-01
in the phase space. The disappearance of the equilibrium point is accompanied by the soft appearance of an unstable focus period-1 orbit surrounded by a resonant or ergodic torus. Detailed numerical calculations are supported by a theoretical investigation of the normal form map that represents the piecewise...
Evolution and non-equilibrium physics
DEFF Research Database (Denmark)
Becker, Nikolaj; Sibani, Paolo
2014-01-01
We argue that the stochastic dynamics of interacting agents which replicate, mutate and die constitutes a non-equilibrium physical process akin to aging in complex materials. Specifically, our study uses extensive computer simulations of the Tangled Nature Model (TNM) of biological evolution...
Micro Data and General Equilibrium Models
DEFF Research Database (Denmark)
Browning, Martin; Hansen, Lars Peter; Heckman, James J.
1999-01-01
economic models, assesses the discordance between the macromodels used in policy evaluation and the microeconomic models used to generate the empirical evidence. For concreteness, we focus on two general equilibrium models: the stochastic growth model extended to include some forms of heterogeneity...
Rumor Propagation Model: An Equilibrium Study
Directory of Open Access Journals (Sweden)
José Roberto C. Piqueira
2010-01-01
information is analogous phenomena. Here, in an analogy with the SIR (Susceptible-Infected-Removed epidemiological model, the ISS (Ignorant-Spreader-Stifler rumor spreading model is studied. By using concepts from the Dynamical Systems Theory, stability of equilibrium points is established, according to propagation parameters and initial conditions. Some numerical experiments are conducted in order to validate the model.
A variational principle for vector equilibrium problems
Indian Academy of Sciences (India)
Home; Journals; Proceedings – Mathematical Sciences; Volume 111; Issue 4. A Variational Principle for Vector Equilibrium Problems. K R Kazmi. Volume 111 Issue 4 November 2001 pp 465-470. Fulltext. Click here to view fulltext PDF. Permanent link: http://www.ias.ac.in/article/fulltext/pmsc/111/04/0465-0470. Keywords.
An equilibrium profile model for tidal environments
Directory of Open Access Journals (Sweden)
A. M. Bernabeu
2002-12-01
Full Text Available During a full tidal cycle, the beach profile is exposed to continuously changing hydrodynamical conditions. Consequently, the profile evolves constantly to adapt to these changes. The equilibrium condition on tidal beaches is defined in terms of the relative occurrence of swash, surf zone and shoaling processes. We have assumed that the tidal beach profile is in equilibrium when the net sediment transport along a tidal cycle is zero. In this model the contribution of swash is considered negligible. A simple and easy-to-apply equilibrium profile formulation is proposed. This model is based on the assumption that surf zone processes dominate the profile morphology wherever wave breaking occurs during the tidal cycle. The obtained equilibrium profile is valid from the high tide level to the breaker point at low tide level. The tidal influence on the profile morphology is the lengthening of the surf profile. The higher the tidal range, the longer the surf profile. The model was tested against field and laboratory data, showing reasonable predictions of measured beach profiles.
An equilibrium closure result for discontinuous games
Balder, E.J.
2011-01-01
For games with discontinuous payoffs Simon and Zame (1990) introduced payoff indeterminacy, in the form of endogenous sharing rules, which are measurable selections of a certain payoff correspondence. Their main result concerns the existence of a mixed Nash equilibrium and an associated sharing
Climate change as (dis)equilibrium
DEFF Research Database (Denmark)
Tejsner, Pelle; Veldhuis, Djuke
2018-01-01
Despite the evident challenges posed by arctic environments past and present, and despite the widespread acknowledgement that human population histories in the Arctic have historically been quite dynamic, it is often assumed that traditional pre-colonial populations were in perfect equilibrium wi...
Estimating Equilibrium Effects of Job Search Assistance
DEFF Research Database (Denmark)
Gautier, Pieter; Muller, Paul; van der Klaauw, Bas
that the nonparticipants in the experiment regions find jobs slower after the introduction of the activation program (relative to workers in other regions). We then estimate an equilibrium search model. This model shows that a large scale role out of the activation program decreases welfare, while a standard partial...... microeconometric cost-benefit analysis would conclude the opposite....
Monetary Policy Frameworks and Real Equilibrium Determinacy
DEFF Research Database (Denmark)
Jensen, Henrik
2002-01-01
In a simple "prototype" model of monetary policymaking, I examine the issue of real equilibrium determinacy under targeting and instrument rules. The former framework involves minimization of a loss function (under discretion or commitment), whereas the latter involves commitment to an interest...
Measuring productivity differences in equilibrium search models
DEFF Research Database (Denmark)
Lanot, Gauthier; Neumann, George R.
1996-01-01
Equilibrium search models require unobserved heterogeneity in productivity to fit observed wage distribution data, but provide no guidance about the location parameter of the heterogeneity. In this paper we show that the location of the productivity heterogeneity implies a mode in a kernel density...
Static Equilibrium Configurations of Charged Metallic Bodies ...
African Journals Online (AJOL)
When charged particles are placed on an uncharged metallic body, the charged particles redistribute themselves along the surface of the body until they reach a point or a configuration that no net tangential force is experienced on each particle. That point is referred to as electrostatic equilibrium configuration or simply as ...
Spontaneity and Equilibrium II: Multireaction Systems
Raff, Lionel M.
2014-01-01
The thermodynamic criteria for spontaneity and equilibrium in multireaction systems are developed and discussed. When N reactions are occurring simultaneously, it is shown that G and A will depend upon N independent reaction coordinates, ?a (a = 1,2, ..., N), in addition to T and p for G or T and V for A. The general criteria for spontaneity and…
General Equilibrium Models: Improving the Microeconomics Classroom
Nicholson, Walter; Westhoff, Frank
2009-01-01
General equilibrium models now play important roles in many fields of economics including tax policy, environmental regulation, international trade, and economic development. The intermediate microeconomics classroom has not kept pace with these trends, however. Microeconomics textbooks primarily focus on the insights that can be drawn from the…
Bayesian equilibrium inference in the Minerva framework
Svensson, Jakob; Ford, Oliver; Kwak, Sehyun; Appel, Lynton; Rahbarnia, Kian; Geiger, Joachim; Schilling, Jonathan
2017-10-01
The Minerva framework is a scientific modelling system based on Bayesian forward modelling and is used at a number of experiments. The structure of the framework makes it possible to combine flux function based, axisymmetric or full 3D models. A general modularity approach makes it easy to replace underlying physics models, such as the model for force balance and corresponding current distribution. We will give an overview of the different models within Minerva for inference of equilibrium field and flux surfaces, for both tokamaks and stellarators. For axisymmetric devices, three methods of increasing complexity, Gaussian process based Current Tomography (CT), an iterative Grad-Shafranov solver, and a full nonlinear Grad-Shafranov based model, will be demonstrated for the JET device. The novel nonlinear Grad-Sharanov model defines a proper posterior distribution for the equilibrium problem thus defines the space of possible equilibrium solutions, and has the capacity to include any nonlinear constraints (e.g. from models of profile diagnostics). The Bayesian approach further allows uncertainties on the equilibrium parameters to be calculated. For the W7-X stellarator, two models based on the VMEC 3D solver and a fast function parameterization approximation will be demonstrated.
Multi-Modality Pulsed AC Source for Medical Applications of Non-Equilibrium Plasmas
Friedrichs, Daniel; Gilbert, James
2014-10-01
A burgeoning field has developed around the use of non-equilibrium (``cold'') plasmas for various medical applications, including wound treatment, surface sterilization, non-thermal hemostasis, and selective cell destruction. Proposed devices typically utilize pulsed DC power sources, which have no other therapeutic utility, and may encounter significant regulatory restrictions regarding their safety for use in patient care. Additionally, dedicated capital equipment is difficult for healthcare facilities to justify. In this work, we have demonstrated for the first time the generation of non-equilibrium plasma using pulsed AC output from a specially-designed electrosurgical generator. The ability to power novel non-equilibrium plasma devices from a piece of equipment already ubiquitous in operating theatres should significantly reduce the barriers to adoption of plasma devices. We demonstrate the ability of a prototype device, coupled to this source, to reduce bacterial growth in vitro. Such a system could allow a single surgical instrument to provide both non-thermal sterilization and thermal tissue dissection.
Equilibrium Bird Species Diversity in Atlantic Islands.
Valente, Luis; Illera, Juan Carlos; Havenstein, Katja; Pallien, Tamara; Etienne, Rampal S; Tiedemann, Ralph
2017-06-05
Half a century ago, MacArthur and Wilson proposed that the number of species on islands tends toward a dynamic equilibrium diversity around which species richness fluctuates [1]. The current prevailing view in island biogeography accepts the fundamentals of MacArthur and Wilson's theory [2] but questions whether their prediction of equilibrium can be fulfilled over evolutionary timescales, given the unpredictable and ever-changing nature of island geological and biotic features [3-7]. Here we conduct a complete molecular phylogenetic survey of the terrestrial bird species from four oceanic archipelagos that make up the diverse Macaronesian bioregion-the Azores, the Canary Islands, Cape Verde, and Madeira [8, 9]. We estimate the times at which birds colonized and speciated in the four archipelagos, including many previously unsampled endemic and non-endemic taxa and their closest continental relatives. We develop and fit a new multi-archipelago dynamic stochastic model to these data, explicitly incorporating information from 91 taxa, both extant and extinct. Remarkably, we find that all four archipelagos have independently achieved and maintained a dynamic equilibrium over millions of years. Biogeographical rates are homogeneous across archipelagos, except for the Canary Islands, which exhibit higher speciation and colonization. Our finding that the avian communities of the four Macaronesian archipelagos display an equilibrium diversity pattern indicates that a diversity plateau may be rapidly achieved on islands where rates of in situ radiation are low and extinction is high. This study reveals that equilibrium processes may be more prevalent than recently proposed, supporting MacArthur and Wilson's 50-year-old theory. Copyright © 2017 Elsevier Ltd. All rights reserved.
Thermalized solutions, statistical mechanics and turbulence: An ...
Indian Academy of Sciences (India)
2015-02-20
Feb 20, 2015 ... In this study, we examine the intriguing connection between turbulence and equilibrium statistical mechanics. There are several recent works which emphasize this connection. Thus in the last few years, the first manifestations of the thermalization, predicted by T D Lee in 1952, was seen and a theoretical ...
CNT based thermal Brownian motor to pump water in nanodevices
DEFF Research Database (Denmark)
Oyarzua, Elton; Zambrano, Harvey; Walther, Jens Honore
2016-01-01
Brownian molecular motors are nanoscale machines that exploit thermal fluctuations for directional motion by employing mechanisms such as the Feynman-Smoluchowski ratchet. In this study, using Non Equilibrium Molecular Dynamics, we propose a novel thermal Brownian motor for pumping water through...
Akıner, Tolga; Mason, Jeremy; Ertürk, Hakan
2017-11-01
The thermal properties of the TIP3P and TIP5P water models are investigated using equilibrium and non-equilibrium molecular dynamics techniques in the presence of solid surfaces. The performance of the non-equilibrium technique for rigid molecules is found to depend significantly on the distribution of atomic degrees of freedom. An improved approach to distribute atomic degrees of freedom is proposed for which the thermal conductivity of the TIP5P model agrees more closely with equilibrium molecular dynamics and experimental results than the existing state of the art.
Equilibrium and non-equilibrium electron tunneling via discrete quantum states
Deshmukh, Mandar M.; Bonet, Edgar; Pasupathy, A. N.; Ralph, D. C.
2001-01-01
Tunneling is measured via the quantum levels of a metal nanoparticle. We analyze quantitatively the resonance energies, widths, and amplitudes, both in the regime where only one state is accessible for tunneling and in the non-equilibrium regime when additional states are made accessible one-by-one. For tunneling through one state, our results agree with expectations for sequential tunneling, but in the non-equilibrium regime the resonances are broadened and shifted in ways that require takin...
Cosmic curvature from de Sitter equilibrium cosmology.
Albrecht, Andreas
2011-10-07
I show that the de Sitter equilibrium cosmology generically predicts observable levels of curvature in the Universe today. The predicted value of the curvature, Ω(k), depends only on the ratio of the density of nonrelativistic matter to cosmological constant density ρ(m)(0)/ρ(Λ) and the value of the curvature from the initial bubble that starts the inflation, Ω(k)(B). The result is independent of the scale of inflation, the shape of the potential during inflation, and many other details of the cosmology. Future cosmological measurements of ρ(m)(0)/ρ(Λ) and Ω(k) will open up a window on the very beginning of our Universe and offer an opportunity to support or falsify the de Sitter equilibrium cosmology.
The general equilibrium theory as economic metatheory
Directory of Open Access Journals (Sweden)
MAURICIO MARTINELLI LUPERI
2015-06-01
Full Text Available Many economists show certain nonconformity relative to the excessive mathematical formalization of economics. This stems from dissatisfaction with the old debate about the lack of correspondence between mainstream theoretical models and reality. Although we do not propose to settle this debate here, this article seeks to associate the mismatch of mathematized models with the reality of the adoption of the hypothetical-deductive method as reproduced by general equilibrium. We begin by defining the main benefits of the mathematization of economics. Secondly, we address traditional criticism leveled against it. We then focus on more recent criticism from Gillies (2005 and Bresser-Pereira (2008. Finally, we attempt to associate the reproduction of the hypothetical-deductive method with a metatheoretical process triggered by Debreu's general equilibrium theory. In this respect, we appropriate the ideas of Weintraub (2002, Punzo (1991, and mainly Woo (1986 to support our hypothesis.
Phase Equilibrium Investigations of Planetary Materials
Grove, T. L.
2005-01-01
This grant provided funds to carry out phase equilibrium studies on the processes of chemical differentiation of the moon and the meteorite parent bodies, during their early evolutionary history. Several experimental studies examined processes that led to the formation of lunar ultramafic glasses. Phase equilibrium studies were carried out on selected low-Ti and high-Ti lunar ultramafic glass compositions to provide constraints on the depth range, temperature and processes of melt generation and/or assimilation. A second set of experiments examined the role of sulfide melts in core formation processes in the earth and terrestrial planets. The major results of each paper are discussed, and copies of the papers are attached as Appendix I.
Equilibrium-Based Nonhomogeneous Anisotropic Beam Element
DEFF Research Database (Denmark)
Krenk, Steen; Couturier, Philippe
2017-01-01
The stiffness matrix and the nodal forces associated with distributed loads are obtained for a nonhomogeneous anisotropic elastic beam element by the use of complementary energy. The element flexibility matrix is obtained by integrating the complementary-energy density corresponding to six beam...... equilibrium states, and then inverted and expanded to provide the element-stiffness matrix. Distributed element loads are represented via corresponding internal-force distributions in local equilibrium with the loads. The element formulation does not depend on assumed shape functions and can, in principle......, include any variation of cross-sectional properties and load variation, provided that these are integrated with sufficient accuracy in the process. The ability to represent variable cross-sectional properties, coupling from anisotropic materials, and distributed element loads is illustrated by numerical...
Instability of quantum equilibrium in Bohm's dynamics.
Colin, Samuel; Valentini, Antony
2014-11-08
We consider Bohm's second-order dynamics for arbitrary initial conditions in phase space. In principle, Bohm's dynamics allows for 'extended' non-equilibrium, with initial momenta not equal to the gradient of phase of the wave function (as well as initial positions whose distribution departs from the Born rule). We show that extended non-equilibrium does not relax in general and is in fact unstable. This is in sharp contrast with de Broglie's first-order dynamics, for which non-standard momenta are not allowed and which shows an efficient relaxation to the Born rule for positions. On this basis, we argue that, while de Broglie's dynamics is a tenable physical theory, Bohm's dynamics is not. In a world governed by Bohm's dynamics, there would be no reason to expect to see an effective quantum theory today (even approximately), in contradiction with observation.
On equilibrium charge distribution above dielectric surface
Directory of Open Access Journals (Sweden)
Yu.V. Slyusarenko
2009-01-01
Full Text Available The problem of the equilibrium state of the charged many-particle system above dielectric surface is formulated. We consider the case of the presence of the external attractive pressing field and the case of its absence. The equilibrium distributions of charges and the electric field, which is generated by these charges in the system in the case of ideally plane dielectric surface, are obtained. The solution of electrostatic equations of the system under consideration in case of small spatial heterogeneities caused by the dielectric surface, is also obtained. These spatial inhomogeneities can be caused both by the inhomogeneities of the surface and by the inhomogeneous charge distribution upon it. In particular, the case of the "wavy" spatially periodic surface is considered taking into account the possible presence of the surface charges.
Predicting wave-induced ripple equilibrium geometry
Robert Nelson, Timothy; Voulgaris, George; Traykovski, Peter
2013-06-01
A comprehensive database of existing (since 1954) field and laboratory measurements of ripple geometry is compiled and combined with newly collected field data to examine the performance of ripple equilibrium predictors. Reanalysis of this enlarged ripple geometry data set reveals that ripples formed from monochromatic waves scale differently than ripples formed from random waves for many existing ripple predictors. Our analysis indicates that ripple wavelengths from the two data sets collapse into a single scaling when the semiorbital excursion and sediment grain diameter are used as normalizing factors. Ripple steepness remains relatively constant for both regular and irregular wave conditions, and it only slightly increases for shorter ripple wavelengths. These findings allowed for the development of a new equilibrium ripple predictor suitable for application in a wide range of wave and sediment conditions.
Nanostructured energy devices equilibrium concepts and kinetics
Bisquert, Juan
2014-01-01
Due to the pressing needs of society, low cost materials for energy devices have experienced an outstanding development in recent times. In this highly multidisciplinary area, chemistry, material science, physics, and electrochemistry meet to develop new materials and devices that perform required energy conversion and storage processes with high efficiency, adequate capabilities for required applications, and low production cost. Nanostructured Energy Devices: Equilibrium Concepts and Kinetics introduces the main physicochemical principles that govern the operation of energy devices. It inclu
Structural Stability of Tokamak Equilibrium: Transport Barriers
Energy Technology Data Exchange (ETDEWEB)
Solano, E. R.
2001-07-01
A generalised theory of structural stability of differential equations is introduced and applied to the Grad-Shafranov equation. It is discussed how the formation and loss of transport barrier could be associated with the appearance/disappearance of equilibria. The equilibrium conjecture is presented: transport barriers are associated with locally diamagnetic regions in the plasma, and affected by the paramagnetism of the bootstrap current. (Author) 18 refs.
Ionization equilibrium of a magnetized quantum plasma
Energy Technology Data Exchange (ETDEWEB)
Steinberg, M.; Ortner, J.; Ebeling, W. [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik
2001-07-01
The influence of a constant uniform magnetic field on the ionization equilibrium and the thermodynamic properties of a nondegenerate partially ionized hydrogen plasma is studied for weak and strong magnetic fields. A simple interpolation formula for an effective partition function is proposed, connecting the the low- and high-field results. Furthermore, a closed analytical approximation for the thermodynamic functions in the chemical picture and a Saha equation for weakly and strongly magnetized plasmas are presented. (orig.)
Ultracold atomic quantum gases far from equilibrium
Energy Technology Data Exchange (ETDEWEB)
Gasenzer, Thomas [Institut fuer Theoretische Physik, Ruprecht-Karls Universitaet Heidelberg, Philosophenweg 16, 69120 Heidelberg (Germany); Berges, Juergen [Institut fuer Kernphysik, Technische Universitaet Darmstadt, Schlossgartenstrasse, 64289 Darmstadt (Germany); Schmidt, Michael G. [Institut fuer Theoretische Physik, Ruprecht-Karls Universitaet Heidelberg, Philosophenweg 16, 69120 Heidelberg (Germany); Seco, Marcos [Institut fuer Theoretische Physik, Ruprecht-Karls Universitaet Heidelberg, Philosophenweg 16, 69120 Heidelberg (Germany)
2007-03-15
We calculate the time evolution of a far-from-equilibrium initial state of a non-relativistic ultracold Bose gas in one spatial dimension. The non-perturbative approximation scheme is based on a systematic expansion of the two-particle irreducible effective action in powers of the inverse number of field components. This yields dynamic equations which contain direct scattering, memory and off-shell effects that are not captured in mean-field theory.
Ultracold atomic quantum gases far from equilibrium
Gasenzer, T.; Berges, J.; Schmidt, M G; Seco, M.
2006-01-01
We calculate the time evolution of a far-from-equilibrium initial state of a non-relativistic ultracold Bose gas in one spatial dimension. The non-perturbative approximation scheme is based on a systematic expansion of the two-particle irreducible effective action in powers of the inverse number of field components. This yields dynamic equations which contain direct scattering, memory and off-shell effects that are not captured in mean-field theory.
Ionization equilibrium of hot hydrogen plasma
Potekhin, A Yu
1996-01-01
The hydrogen plasma is studied at temperatures T ~ 10^4 - 10^6 K using the free energy minimization method. A simple analytic free energy model is proposed which is accurate at densities up to 1 g/cc and yields convergent internal partition function of atoms. The occupation probability formalism is modified for solving the ionization equilibrium problem. The ionization degree and equation of state are calculated and compared with the results of other models.
Multi-period equilibrium/near-equilibrium in electricity markets based on locational marginal prices
Garcia Bertrand, Raquel
In this dissertation we propose an equilibrium procedure that coordinates the point of view of every market agent resulting in an equilibrium that simultaneously maximizes the independent objective of every market agent and satisfies network constraints. Therefore, the activities of the generating companies, consumers and an independent system operator are modeled: (1) The generating companies seek to maximize profits by specifying hourly step functions of productions and minimum selling prices, and bounds on productions. (2) The goals of the consumers are to maximize their economic utilities by specifying hourly step functions of demands and maximum buying prices, and bounds on demands. (3) The independent system operator then clears the market taking into account consistency conditions as well as capacity and line losses so as to achieve maximum social welfare. Then, we approach this equilibrium problem using complementarity theory in order to have the capability of imposing constraints on dual variables, i.e., on prices, such as minimum profit conditions for the generating units or maximum cost conditions for the consumers. In this way, given the form of the individual optimization problems, the Karush-Kuhn-Tucker conditions for the generating companies, the consumers and the independent system operator are both necessary and sufficient. The simultaneous solution to all these conditions constitutes a mixed linear complementarity problem. We include minimum profit constraints imposed by the units in the market equilibrium model. These constraints are added as additional constraints to the equivalent quadratic programming problem of the mixed linear complementarity problem previously described. For the sake of clarity, the proposed equilibrium or near-equilibrium is first developed for the particular case considering only one time period. Afterwards, we consider an equilibrium or near-equilibrium applied to a multi-period framework. This model embodies binary
Analytical Ultracentrifugation: Sedimentation Velocity and Sedimentation Equilibrium
Cole, James L.; Lary, Jeffrey W.; Moody, Thomas; Laue, Thomas M.
2009-01-01
Analytical ultracentrifugation (AUC) is a versatile and powerful method for the quantitative analysis of macromolecules in solution. AUC has broad applications for the study of biomacromolecules in a wide range of solvents and over a wide range of solute concentrations. Three optical systems are available for the analytical ultracentrifuge (absorbance, interference and fluorescence) that permit precise and selective observation of sedimentation in real time. In particular, the fluorescence system provides a new way to extend the scope of AUC to probe the behavior of biological molecules in complex mixtures and at high solute concentrations. In sedimentation velocity, the movement of solutes in high centrifugal fields is interpreted using hydrodynamic theory to define the size, shape and interactions of macromolecules. Sedimentation equilibrium is a thermodynamic method where equilibrium concentration gradients at lower centrifugal fields are analyzed to define molecule mass, assembly stoichiometry, association constants and solution nonideality. Using specialized sample cells and modern analysis software, researchers can use sedimentation velocity to determine the homogeneity of a sample and define whether it undergoes concentration-dependent association reactions. Subsequently, more thorough model-dependent analysis of velocity and equilibrium experiments can provide a detailed picture of the nature of the species present in solution and their interactions. PMID:17964931
TEA: A CODE CALCULATING THERMOCHEMICAL EQUILIBRIUM ABUNDANCES
Energy Technology Data Exchange (ETDEWEB)
Blecic, Jasmina; Harrington, Joseph; Bowman, M. Oliver, E-mail: jasmina@physics.ucf.edu [Planetary Sciences Group, Department of Physics, University of Central Florida, Orlando, FL 32816-2385 (United States)
2016-07-01
We present an open-source Thermochemical Equilibrium Abundances (TEA) code that calculates the abundances of gaseous molecular species. The code is based on the methodology of White et al. and Eriksson. It applies Gibbs free-energy minimization using an iterative, Lagrangian optimization scheme. Given elemental abundances, TEA calculates molecular abundances for a particular temperature and pressure or a list of temperature–pressure pairs. We tested the code against the method of Burrows and Sharp, the free thermochemical equilibrium code Chemical Equilibrium with Applications (CEA), and the example given by Burrows and Sharp. Using their thermodynamic data, TEA reproduces their final abundances, but with higher precision. We also applied the TEA abundance calculations to models of several hot-Jupiter exoplanets, producing expected results. TEA is written in Python in a modular format. There is a start guide, a user manual, and a code document in addition to this theory paper. TEA is available under a reproducible-research, open-source license via https://github.com/dzesmin/TEA.
Hamiltonian approach to the magnetostatic equilibrium problem
Energy Technology Data Exchange (ETDEWEB)
Tessarotto, M.; Zheng, Lin Jin [Universita di Trieste (Italy); Johnson, J.L. [Princeton Univ., NJ (United States). Plasma Physics Lab.
1995-02-01
The purpose of this paper is to investigate the classical scalar-pressure magnetostatic equilibrium problem for non-symmetric configurations in the framework of a Hamiltonian approach. Requiring that the equilibrium admits locally, in a suitable subdomain, a family of nested toroidal magnetic surfaces, the Hamiltonian equations describing the magnetic flux lines in such a subdomain are obtained for general curvilinear coordinate systems. The properties of such Hamiltonian system are investigated. A representation of the magnetic field in terms of arbitrary general curvilinear coordinates is thus obtained. Its basic feature is that the magnetic field must fulfill suitable periodicity constraints to be imposed on arbitrary rational magnetic surfaces for general non-symmetric toroidal equilibria, i.e., it is quasi-symmetric. Implications for the existence of magnetostatic equilibria are pointed out. In particular, it is proven that a generalized equilibrium equation exists for such quasi-symmetric equilibria, which extends the Grad-Shafranov equation to fully three-dimensional configurations. As an application, the case is considered of quasi-helical equilibria, i.e., displaying a magnetic field magnitude depending on the poloidal ({chi}) and toroidal ({var_theta}) angles only in terms of {alpha}={chi}-N{theta} with N an arbitrary integer.
Equilibrium Partitioning Sediment Benchmarks (ESBs) for the ...
This document describes procedures to determine the concentrations of nonionic organic chemicals in sediment interstitial waters. In previous ESB documents, the general equilibrium partitioning (EqP) approach was chosen for the derivation of sediment benchmarks because it accounts for the varying bioavailability of chemicals in different sediments and allows for the incorporation of the appropriate biological effects concentration. This provides for the derivation of benchmarks that are causally linked to the specific chemical, applicable across sediments, and appropriately protective of benthic organisms. This equilibrium partitioning sediment benchmark (ESB) document was prepared by scientists from the Atlantic Ecology Division, Mid-Continent Ecology Division, and Western Ecology Division, the Office of Water, and private consultants. The document describes procedures to determine the interstitial water concentrations of nonionic organic chemicals in contaminated sediments. Based on these concentrations, guidance is provided on the derivation of toxic units to assess whether the sediments are likely to cause adverse effects to benthic organisms. The equilibrium partitioning (EqP) approach was chosen because it is based on the concentrations of chemical(s) that are known to be harmful and bioavailable in the environment. This document, and five others published over the last nine years, will be useful for the Program Offices, including Superfund, a
Identifying apparent local stable isotope equilibrium in a complex non-equilibrium system.
He, Yuyang; Cao, Xiaobin; Wang, Jianwei; Bao, Huiming
2018-02-28
Although being out of equilibrium, biomolecules in organisms have the potential to approach isotope equilibrium locally because enzymatic reactions are intrinsically reversible. A rigorous approach that can describe isotope distribution among biomolecules and their apparent deviation from equilibrium state is lacking, however. Applying the concept of distance matrix in graph theory, we propose that apparent local isotope equilibrium among a subset of biomolecules can be assessed using an apparent fractionation difference (|Δα|) matrix, in which the differences between the observed isotope composition (δ') and the calculated equilibrium fractionation factor (1000lnβ) can be more rigorously evaluated than by using a previous approach for multiple biomolecules. We tested our |Δα| matrix approach by re-analyzing published data of different amino acids (AAs) in potato and in green alga. Our re-analysis shows that biosynthesis pathways could be the reason for an apparently close-to-equilibrium relationship inside AA families in potato leaves. Different biosynthesis/degradation pathways in tubers may have led to the observed isotope distribution difference between potato leaves and tubers. The analysis of data from green algae does not support the conclusion that AAs are further from equilibrium in glucose-cultured green algae than in the autotrophic ones. Application of the |Δα| matrix can help us to locate potential reversible reactions or reaction networks in a complex system such as a metabolic system. The same approach can be broadly applied to all complex systems that have multiple components, e.g. geochemical or atmospheric systems of early Earth or other planets. Copyright © 2017 John Wiley & Sons, Ltd.
In-situ thermal conductivity estimates in the Western Niger Delta ...
African Journals Online (AJOL)
An estimate of thermal conductivity was carried out in 21 well-spaced petroleum wells in the western Niger Delta using sonic and continuous temperature logs. The temperature logs were measured after the wells had attained thermal equilibrium as a result of drilling activities. Regional thermal conductivity varies from ...
Fractal Geometry of Equilibrium Payoffs in Discounted Supergames
Berg, Kimmo; Kitti, Mitri
2014-08-01
This paper examines the pure-strategy subgame-perfect equilibrium payoffs in discounted supergames with perfect monitoring. It is shown that the equilibrium payoffs can be identified as sub-self-affine sets or graph-directed iterated function systems. We propose a method to estimate the Hausdorff dimension of the equilibrium payoffs and relate it to the equilibrium paths and their graph presentation.
Experimental determination of thermodynamic equilibrium in biocatalytic transamination
DEFF Research Database (Denmark)
Tufvesson, Pär; Jensen, Jacob Skibsted; Kroutil, Wolfgang
2012-01-01
The equilibrium constant is a critical parameter for making rational design choices in biocatalytic transamination for the synthesis of chiral amines. However, very few reports are available in the scientific literature determining the equilibrium constant (K) for the transamination of ketones....... Various methods for determining (or estimating) equilibrium have previously been suggested, both experimental as well as computational (based on group contribution methods). However, none of these were found suitable for determining the equilibrium constant for the transamination of ketones. Therefore...
Equilibrium Constant as Solution to the Open Chemical Systems
Zilbergleyt, B.
2008-01-01
According to contemporary views, equilibrium constant is relevant only to true thermodynamic equilibria in isolated systems with one chemical reaction. The paper presents a novel formula that ties-up equilibrium constant and chemical system composition at any state, isolated or open as well. Extending the logarithmic logistic map of the Discrete Thermodynamics of Chemical Equilibria, this formula maps the system population at isolated equilibrium into the population at any open equilibrium at...
Hanging an Airplane: A Case Study in Static Equilibrium
Katz, Debora M.
2009-01-01
Our classrooms are filled with engineering majors who take a semester-long course in static equilibrium. Many students find this class too challenging and drop their engineering major. In our introductory physics class, we often breeze through static equilibrium; to physicists equilibrium is just a special case of Newton's second law. While it is…
Sythesis, characterization and Pd(II) ions coordination equilibrium ...
African Journals Online (AJOL)
The longer chain H2Pc behaved differently by disallowing Pd(II) ion coordination in its cavity. There was also a direct correlation between the carbon chain length and equilibrium constants, with the longer chain showing a lower equilibrium constant of 1.1 x 109 dm3 mol-1. Keywords: Equilibrium Constant, Phthalocyanines, ...
Towards breaking temperature equilibrium in multi-component Eulerian schemes
Energy Technology Data Exchange (ETDEWEB)
Grove, John W [Los Alamos National Laboratory; Masser, Thomas [Los Alamos National Laboratory
2009-01-01
We investigate the effects ofthermal equilibrium on hydrodynamic flows and describe models for breaking the assumption ofa single temperature for a mixture of components in a cell. A computational study comparing pressure-temperature equilibrium simulations of two dimensional implosions with explicit front tracking is described as well as implementation and J-D calculations for non-equilibrium temperature methods.
Investigating High School Students' Understanding of Chemical Equilibrium Concepts
Karpudewan, Mageswary; Treagust, David F.; Mocerino, Mauro; Won, Mihye; Chandrasegaran, A. L.
2015-01-01
This study investigated the year 12 students' (N = 56) understanding of chemical equilibrium concepts after instruction using two conceptual tests, the "Chemical Equilibrium Conceptual Test 1" ("CECT-1") consisting of nine two-tier multiple-choice items and the "Chemical Equilibrium Conceptual Test 2"…
An analysis of the concept of equilibrium in organization theory
Gazendam, H.W.M.; Simons, John L.
1998-01-01
This article analyzes how the equilibrium concept is used in four organization theories: the theories of Fayol, Mintzberg, Morgan, and Volberda. Equilibrium can be defined as balance, fit or requisite variety. Equilibrium is related to observables dependent on the definition of organization as work
Equilibrium Price Dispersion in a Matching Model with Divisible Money
Kamiya, K.; Sato, T.
2002-01-01
The main purpose of this paper is to show that, for any given parameter values, an equilibrium with dispersed prices (two-price equilibrium) exists in a simple matching model with divisible money presented by Green and Zhou (1998).We also show that our two-price equilibrium is unique in certain
Energy Technology Data Exchange (ETDEWEB)
Pal, Usha [Light Water Reactor Physics Section, Reactor Physics Design Division, Bhabha Atomic Research Centre, A-5-15, Central Complex, Mumbai, Maharashtra (India)], E-mail: ushapal@barc.gov.in; Jagannathan, V. [Light Water Reactor Physics Section, Reactor Physics Design Division, Bhabha Atomic Research Centre, A-5-15, Central Complex, Mumbai, Maharashtra (India)], E-mail: vjagan@barc.gov.in
2008-07-15
A thermal reactor concept 'a thorium breeder reactor' (ATBR) was conceived and reported by the authors during 1998. The distinctive physical characteristics of ATBR core with different types of seed fuels have been discussed in subsequent publications. The equilibrium core of ATBR with Pu seed was shown to exhibit a flat and low excess reactivity for a fuel cycle duration of two years. Notably this is achieved by no conventional burnable poison but by intrinsic balancing of reactivity between fissile and fertile zones. In this paper we present the design of the initial core and the refueling strategy for subsequent fuel cycles to enable a smooth transition to the equilibrium core. Three fuel types with characteristics similar to the three batch fuels of equilibrium core were designed for the initial core. Fuel requirement for the initial core is 4673 kg of reactor grade (RG) Pu for a cycle length of two years at 1875 MWt as against the 2200 kg needed for each fuel cycle of equilibrium core for same quantum of energy. The core reactivity variation during the first fuel cycle is monotonic fall and is relatively high ({approx}40 mk) but gradually diminishes to {+-}5 mk for fuel cycles 5-8.
Equilibrium and kinetic mechanism for Reactive Black 5 sorption onto high lime Soma fly ash.
Eren, Zeynep; Acar, Filiz Nuran
2007-05-08
Batch adsorption studies were carried out for the sorption of C.I. Reactive Black 5, a reactive dye, onto high lime fly ash, obtained from Soma Thermal Power Plant (Turkey), to be low cost adsorbent. The effect of various experimental parameters such as contact time, adsorbent dose and initial dye concentration were investigated. Determination of the adsorption equilibrium concentrations was determined by UV-vis spectrophotometry analytical method. Equilibrium data were fitted to the Freundlich and Langmuir isotherm equations and the equilibrium data were found to be well represented by the Freundlich isotherm equation. The adsorption kinetics of C.I. Reactive Black 5 onto high lime fly ash were also studied to characterize of the surface complexation reaction. A pseudo-second-order mechanism has been developed to predict the rate constant of the adsorption, the equilibrium capacity and initial adsorption rate with the effect of initial concentration. A single-stage batch adsorber design of the adsorption of C.I. Reactive Black 5 onto high lime fly ash has been studied based on the Freundlich isotherm equation.
Heavy quark diffusion in the pre-equilibrium stage of heavy ion collisions
Das, Santosh K.; Ruggieri, Marco; Mazumder, Surasree; Greco, Vincenzo; Alam, Jan-e.
2015-09-01
The drag and diffusion coefficients of heavy quarks (HQs) have been evaluated in the pre-equilibrium phase of the evolving fireball produced in heavy ion collisions at relativistic heavy ion collider and Large Hadron Collider energies. KLN and classical Yang-Mills spectra have been used for describing the momentum distributions of the gluons produced just after the collisions but before they thermalize. The interaction of the HQs with these gluons has been treated within the framework of perturbative quantum chromodynamics. We have observed that the HQs are dragged almost equally by the kinetically equilibrated and out-of-equilibrium gluonic systems. We have also noticed that the HQ diffusion in the pre-equilibrium gluonic phase is as fast as in the kinetically equilibrated gluons. Moreover, the diffusion is faster in the pre-equilibrium phase than in the chemically equilibrated quark-gluon plasma. These findings may have significant impact on the analysis of experimental results on the elliptic flow and the high momentum suppression of the open charm and beauty hadrons.
Lee, Chiho; Son, Hyewon; Park, Sungnam
2015-07-21
Two-dimensional infrared (2DIR) spectroscopy, which has been proven to be an excellent experimental method for studying thermally-driven chemical processes, was successfully used to investigate the acid dissociation equilibrium of HN3 in methanol (CH3OH) and dimethyl sulfoxide (DMSO) for the first time. Our 2DIR experimental results indicate that the acid-base equilibrium occurs on picosecond timescales in CH3OH but that it occurs on much longer timescales in DMSO. Our results imply that the different timescales of the acid-base equilibrium originate from different proton transfer mechanisms between the acidic (HN3) and basic (N3(-)) species in CH3OH and DMSO. In CH3OH, the acid-base equilibrium is assisted by the surrounding CH3OH molecules which can directly donate H(+) to N3(-) and accept H(+) from HN3 and the proton migrates through the hydrogen-bonded chain of CH3OH. On the other hand, the acid-base equilibrium in DMSO occurs through the mutual diffusion of HN3 and N3(-) or direct proton transfer. Our 2DIR experimental results corroborate different proton transfer mechanisms in the acid-base equilibrium in protic (CH3OH) and aprotic (DMSO) solvents.
Non-equilibrium Dynamics of DNA Nanotubes
Hariadi, Rizal Fajar
Can the fundamental processes that underlie molecular biology be understood and simulated by DNA nanotechnology? The early development of DNA nanotechnology by Ned Seeman was driven by the desire to find a solution to the protein crystallization problem. Much of the later development of the field was also driven by envisioned applications in computing and nanofabrication. While the DNA nanotechnology community has assembled a versatile tool kit with which DNA nanostructures of considerable complexity can be assembled, the application of this tool kit to other areas of science and technology is still in its infancy. This dissertation reports on the construction of non-equilibrium DNA nanotube dynamic to probe molecular processes in the areas of hydrodynamics and cytoskeletal behavior. As the first example, we used DNA nanotubes as a molecular probe for elongational flow measurement in different micro-scale flow settings. The hydrodynamic flow in the vicinity of simple geometrical objects, such as a rigid DNA nanotube, is amenable to rigorous theoretical investigation. We measured the distribution of elongational flows produced in progressively more complex settings, ranging from the vicinity of an orifice in a microfluidic chamber to within a bursting bubble of Pacific ocean water. This information can be used to constrain theories on the origin of life in which replication involves a hydrodynamically driven fission process, such as the coacervate fission proposed by Oparin. A second theme of this dissertation is the bottom-up construction of a de novo artificial cytoskeleton with DNA nanotubes. The work reported here encompasses structural, locomotion, and control aspects of non-equilibrium cytoskeletal behavior. We first measured the kinetic parameters of DNA nanotube assembly and tested the accuracy of the existing polymerization models in the literature. Toward recapitulation of non-equilibrium cytoskeletal dynamics, we coupled the polymerization of DNA
The Fisher Market Game: Equilibrium and Welfare
DEFF Research Database (Denmark)
Branzei, Simina; Chen, Yiling; Deng, Xiaotie
2014-01-01
and report their preferences over goods; the market-clearing prices and allocations are then determined based on their reported preferences rather than their real preferences. We show that the Fisher market game always has a pure Nash equilibrium, for buyers with linear, Leontief, and Cobb-Douglas utility...... functions, which are three representative classes of utility functions in the important Constant Elasticity of Substitution (CES) family. Furthermore, to quantify the social efficiency, we prove Price of Anarchy bounds for the game when the utility functions of buyers fall into these three classes...
Equilibrium stochastic dynamics of Poisson cluster ensembles
Directory of Open Access Journals (Sweden)
L.Bogachev
2008-06-01
Full Text Available The distribution μ of a Poisson cluster process in Χ=Rd (with n-point clusters is studied via the projection of an auxiliary Poisson measure in the space of configurations in Χn, with the intensity measure being the convolution of the background intensity (of cluster centres with the probability distribution of a generic cluster. We show that μ is quasi-invariant with respect to the group of compactly supported diffeomorphisms of Χ, and prove an integration by parts formula for μ. The corresponding equilibrium stochastic dynamics is then constructed using the method of Dirichlet forms.
Computational methods for reversed-field equilibrium
Energy Technology Data Exchange (ETDEWEB)
Boyd, J.K.; Auerbach, S.P.; Willmann, P.A.; Berk, H.L.; McNamara, B.
1980-04-15
Investigating the temporal evolution of reversed-field equilibrium caused by transport processes requires the solution of the Grad-Shafranov equation and computation of field-line-averaged quantities. The technique for field-line averaging and the computation of the Grad-Shafranov equation are presented. Application of Green's function to specify the Grad-Shafranov equation boundary condition is discussed. Hill's vortex formulas used to verify certain computations are detailed. Use of computer software to implement computational methods is described.
A boron nitride nanotube peapod thermal rectifier
Energy Technology Data Exchange (ETDEWEB)
Loh, G. C., E-mail: jgloh@mtu.edu [Department of Physics, Michigan Technological University, Houghton, Michigan 49931 (United States); Institute of High Performance Computing, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632 (Singapore); Baillargeat, D. [CNRS-International-NTU-Thales Research Alliance (CINTRA), 50 Nanyang Drive, Singapore 637553 (Singapore)
2014-06-28
The precise guidance of heat from one specific location to another is paramount in many industrial and commercial applications, including thermal management and thermoelectric generation. One of the cardinal requirements is a preferential conduction of thermal energy, also known as thermal rectification, in the materials. This study introduces a novel nanomaterial for rectifying heat—the boron nitride nanotube peapod thermal rectifier. Classical non-equilibrium molecular dynamics simulations are performed on this nanomaterial, and interestingly, the strength of the rectification phenomenon is dissimilar at different operating temperatures. This is due to the contingence of the thermal flux on the conductance at the localized region around the scatterer, which varies with temperature. The rectification performance of the peapod rectifier is inherently dependent on its asymmetry. Last but not least, the favourable rectifying direction in the nanomaterial is established.
Nonequilibrium Distribution of the Microscopic Thermal Current in Steady Thermal Transport Systems
Yukawa, Satoshi
2010-01-01
Nonequilibrium distribution of the microscopic thermal current is investigated by direct molecular dynamics simulations. The microscopic thermal current in this study is defined by a flow of kinetic energy carried by a single particle. Asymptotic parallel and antiparallel tails of the nonequilibrium distribution to an average thermal current are identical to ones of equilibrium distribution with different temperatures. These temperatures characterizing the tails are dependent on a characteristic length in which a memory of dynamics is completely erased by several particle collisions. This property of the tails of nonequilibrium distribution is confirmed in other thermal transport systems. In addition, statistical properties of a particle trapped by a harmonic potential in a steady thermal conducting state are also studied. This particle feels a finite force parallel to the average thermal current as a consequence of the skewness of the distribution of the current. This force is interpreted as the microscopic origin of thermophoresis.
Thermally driven ratchet motion of a skyrmion microcrystal and topological magnon Hall effect
Mochizuki, M.; Yu, X.Z.; Seki, S.; Kanazawa, N.; Koshibae, W.; Zang, J.; Mostovoy, M.; Tokura, Y.; Nagaosa, N.
2014-01-01
Spontaneously emergent chirality is an issue of fundamental importance across the natural sciences. It has been argued that a unidirectional (chiral) rotation of a mechanical ratchet is forbidden in thermal equilibrium, but becomes possible in systems out of equilibrium. Here we report our finding
Equilibrium magnetization and magnetization relaxation of multicore magnetic nanoparticles
Ilg, Patrick
2017-06-01
Multicore magnetic nanoparticles show promising features for biomedical applications. Their magnetic properties, however, are not well understood to date, so that several ad hoc assumptions are often needed to interpret experimental results. Here, we present a comprehensive computer simulation study on the effect of dipolar interactions and magnetic anisotropy on the equilibrium magnetization and magnetization relaxation dynamics of monodisperse multicore magnetic nanoparticles in viscous solvents. We include thermal fluctuations of the internal Néel relaxation via the stochastic Landau-Lifshitz-Gilbert equation coupled to rotational Brownian motion of the cluster. We find that the effective magnetic moment of the cluster is reduced compared to the noninteracting case due to frustrated dipole-dipole interactions. Furthermore, the magnetization relaxation is found to proceed in a two-step fashion with a fast initial decay being followed by a long-time relaxation. For moderate dipolar interaction strengths, the latter can be approximated quite well by an exponential decay with rate given by the sum of the relaxation rates in the immobilized state and the Brownian rotation. These findings can be helpful for a better interpretation of experimental data obtained from magnetization relaxation measurements.
Gordon, Sanford
1958-01-01
Theoretical rocket performance for equilibrium composition during expansion was calculated for JP-4 fuel with several fluorine-oxygen mixtures for a range of pressure ratios and oxidant-fuel ratios. The parameters included are specific impulse, combustion-chamber temperature, nozzle-exit temperature, molecular weight, characteristic velocity, coefficient of thrust, ratio of nozzle-exit area to throat area, specific heat at constant pressure, isentropic exponent, viscosity, thermal conductivity, and equilibrium gas compositions. A correlation is given for the effect of chamber pressure on several of the parameters. The maximum value of specific impulse for a chamber pressure of 600 pounds per square inch absolute (40.827 atm) and an exit pressure of 1 atmosphere is 325.7 for 70.37 percent fluorine in the oxidant as compared with 284.9 and 305.1 for 100 percent oxygen and 100 percent fluorine, respectively.
National Research Council Canada - National Science Library
Noshin, Maliha; Khan, Asir Intisar; Navid, Ishtiaque Ahmed; Uddin, H. M. Ahsan; Subrina, Samia
2017-01-01
Equilibrium molecular dynamics simulation using 2nd generation Reactive Bond Order interatomic potential has been performed to model the thermal transport of nanometer sized zigzag defected graphene nanoribbons (GNRs...
Thermal Conductivity of Liquid Water from Reverse Nonequilibrium Ab Initio Molecular Dynamics
Tsuchida, Eiji
2018-02-01
We report on a theoretical framework for calculating the thermal conductivity of liquid water from first principles with the aid of the linear scaling method. We also discuss the possibility of obtaining equilibrium properties from a nonequilibrium trajectory.
Equilibrium drop surface profiles in electric fields
Mugele, F.; Buehrle, J.
2007-09-01
Electrowetting is becoming a more and more frequently used tool to manipulate liquids in various microfluidic applications. On the scale of the entire drop, the effect of electrowetting is to reduce the apparent contact angle of partially wetting conductive liquids upon application of an external voltage. Microscopically, however, strong electric fields in the vicinity of the three phase contact line give rise to local deformations of the drop surface. We determined the equilibrium surface profile using a combined numerical, analytical, and experimental approach. We find that the local contact angle in electrowetting is equal to Young's angle independent of the applied voltage. Only on the scale of the thickness of the insulator and beyond does the surface slope assume a value consistent with the voltage-dependent apparent contact angle. This behaviour is verified experimentally by determining equilibrium surface profiles for insulators of various thicknesses between 10 and 250 µm. Numerically and analytically, we find that the local surface curvature diverges algebraically upon approaching the contact line with an exponent -1<μ<0. We discuss the relevance of the local surface properties for dynamic aspects of the contact line motion.
Equilibrium study for ternary mixtures of biodiesel
Doungsri, S.; Sookkumnerd, T.; Wongkoblap, A.; Nuchitprasittichai, A.
2017-11-01
The liquid-liquid equilibrium (LLE) data for the ternary mixtures of methanol + fatty acid methyl ester (FAME) + palm oil and FAME + palm oil + glycerol at various temperatures from 35 to 55°C, the tie lines and binodial curves were also investigated and plotted in the equilibrium curve. The experimental results showed that the binodial curves of methanol + FAME + palm oil depended significantly with temperature while the binodial curves of FAME + palm oil + glycerol illustrated insignificant change with temperatures. The interaction parameters between liquid pair obtained for NRTL (Nonrandom Two-Liquid) and UNIQUAC (Universal Quasi-Chemical Theory) models from the experimental data were also investigated. It was found that the correlated parameters of UNIQUAC model for system of FAME + palm oil + glycerol, denoted as a13 and a31, were 580.42K and -123.69K, respectively, while those for system of methanol + FAME + palm oil, denoted as a42 and a24, were 71.48 K and 965.57K, respectively. The ternary LLE data reported here would be beneficial for engineers and scientists to use for prediction of yield and purity of biodiesel for the production. The UNIQUAC model agreed well with the experimental data of ternary mixtures of biodiesel.
Gyrokinetic Statistical Absolute Equilibrium and Turbulence
Energy Technology Data Exchange (ETDEWEB)
Jian-Zhou Zhu and Gregory W. Hammett
2011-01-10
A paradigm based on the absolute equilibrium of Galerkin-truncated inviscid systems to aid in understanding turbulence [T.-D. Lee, "On some statistical properties of hydrodynamical and magnetohydrodynamical fields," Q. Appl. Math. 10, 69 (1952)] is taken to study gyrokinetic plasma turbulence: A finite set of Fourier modes of the collisionless gyrokinetic equations are kept and the statistical equilibria are calculated; possible implications for plasma turbulence in various situations are discussed. For the case of two spatial and one velocity dimension, in the calculation with discretization also of velocity v with N grid points (where N + 1 quantities are conserved, corresponding to an energy invariant and N entropy-related invariants), the negative temperature states, corresponding to the condensation of the generalized energy into the lowest modes, are found. This indicates a generic feature of inverse energy cascade. Comparisons are made with some classical results, such as those of Charney-Hasegawa-Mima in the cold-ion limit. There is a universal shape for statistical equilibrium of gyrokinetics in three spatial and two velocity dimensions with just one conserved quantity. Possible physical relevance to turbulence, such as ITG zonal flows, and to a critical balance hypothesis are also discussed.
Equilibrium states of homogeneous sheared compressible turbulence
Directory of Open Access Journals (Sweden)
M. Riahi
2011-06-01
Full Text Available Equilibrium states of homogeneous compressible turbulence subjected to rapid shear is studied using rapid distortion theory (RDT. The purpose of this study is to determine the numerical solutions of unsteady linearized equations governing double correlations spectra evolution. In this work, RDT code developed by authors solves these equations for compressible homogeneous shear flows. Numerical integration of these equations is carried out using a second-order simple and accurate scheme. The two Mach numbers relevant to homogeneous shear flow are the turbulent Mach number Mt, given by the root mean square turbulent velocity fluctuations divided by the speed of sound, and the gradient Mach number Mg which is the mean shear rate times the transverse integral scale of the turbulence divided by the speed of sound. Validation of this code is performed by comparing RDT results with direct numerical simulation (DNS of [A. Simone, G.N. Coleman, and C. Cambon, Fluid Mech. 330, 307 (1997] and [S. Sarkar, J. Fluid Mech. 282, 163 (1995] for various values of initial gradient Mach number Mg0. It was found that RDT is valid for small values of the non-dimensional times St (St 10 in particular for large values of Mg0. This essential feature justifies the resort to RDT in order to determine equilibrium states in the compressible regime.
The equilibrium model of relationship maintenance.
Murray, Sandra L; Holmes, John G; Griffin, Dale W; Derrick, Jaye L
2015-01-01
A new equilibrium model of relationship maintenance is proposed. People can protect relationship bonds by practicing 3 threat-mitigation rules: Trying to accommodate when a partner is hurtful, ensuring mutual dependence, and resisting devaluing a partner who impedes one's personal goals. A longitudinal study of newlyweds revealed evidence for the equilibrium model, such that relationship well-being (as indexed by satisfaction and commitment) declining from its usual state predicted increased threat-mitigation; in turn, increasing threat mitigation from its usual state predicted increased relationship well-being. Longitudinal findings further revealed adaptive advantages to uncertain trust. First, the match between trust and partner-risk predicted the trajectory of threat mitigation over time. People who hesitated to trust a high-risk partner became more likely to mitigate threats over 3 years, but people who hesitated to trust a safe partner became less likely to mitigate threats. The match between threat mitigation and partner-risk also predicted when being less trusting eroded later relationship well-being. Namely, when women paired with high-risk partners became more likely to mitigate threats, being less trusting at marriage lost its capacity to erode later relationship well-being. (PsycINFO Database Record (c) 2015 APA, all rights reserved).
Non-equilibrium many body dynamics
Energy Technology Data Exchange (ETDEWEB)
Creutz, M.; Gyulassy, M.
1997-09-22
This Riken BNL Research Center Symposium on Non-Equilibrium Many Body Physics was held on September 23-25, 1997 as part of the official opening ceremony of the Center at Brookhaven National Lab. A major objective of theoretical work at the center is to elaborate on the full spectrum of strong interaction physics based on QCD, including the physics of confinement and chiral symmetry breaking, the parton structure of hadrons and nuclei, and the phenomenology of ultra-relativistic nuclear collisions related to the up-coming experiments at RHIC. The opportunities and challenges of nuclear and particle physics in this area naturally involve aspects of the many body problem common to many other fields. The aim of this symposium was to find common theoretical threads in the area of non-equilibrium physics and modern transport theories. The program consisted of invited talks on a variety topics from the fields of atomic, condensed matter, plasma, astrophysics, cosmology, and chemistry, in addition to nuclear and particle physics. Separate abstracts have been indexed into the database for contributions to this workshop.
PROCEDURES FOR THE DERIVATION OF EQUILIBRIUM ...
This equilibrium partitioning sediment benchmark (ESB) document describes procedures to derive concentrations for 32 nonionic organic chemicals in sediment which are protective of the presence of freshwater and marine benthic organisms. The equilibrium partitioning (EqP) approach was chosen because it accounts for the varying biological availability of chemicals in different sediments and allows for the incorporation of the appropriate biological effects concentration. This provides for the derivation of benchmarks that are causally linked to the specific chemical, applicable across sediments, and appropriately protective of benthic organisms. EqP can be used to calculate ESBs for any toxicity endpoint for which there are water-only toxicity data; it is not limited to any single effect endpoint. For the purposes of this document, ESBs for 32 nonionic organic chemicals, including several low molecular weight aliphatic and aromatic compounds, pesticides, and phthalates, were derived using Final Chronic Values (FCV) from Water Quality Criteria (WQC) or Secondary Chronic Values (SCV) derived from existing toxicological data using the Great Lakes Water Quality Initiative (GLI) or narcosis theory approaches. These values are intended to be the concentration of each chemical in water that is protective of the presence of aquatic life. For nonionic organic chemicals demonstrating a narcotic mode of action, ESBs derived using the GLI approach specifically for fres
Electrophoretic ``Equilibrium'' Profile of Charged Colloids
Planques, Romain; Chaikin, Paul
2008-03-01
We perform an electrophoresis experiment of a concentrated colloid against a semipermeable membrane. The electric field forces the charged particles against the membrane and sets up a concentration profile similar to that of a colloid in gravitational sedimentation equilibrium where gravitational forces compete against the osmotic pressure gradient. In the present case there is a current which flows through the electrolyte so the system reaches a steady state profile rather than equilibrium. The electric field, colloid and ionic concentrations adjust self consistently to produce the profile. We use 91 nm polystyrene spheres with sufficient charge that they crystallize and observe their Bragg scattering as a function of height to determine the lattice spacing and particle concentration. We also use 700nm spheres and obtain their concentration profile with X-ray absorption. The fluid flow is zero for a capped system. Connecting a return tube from the supernatant side above the electrophoretic sediment to below the filter yields an electroosmotic flow and circulation. The profile changes substantially and allows us to study the hydrodynamic interactions as a function of concentration for the electrophoresing particles.
Wilhelmsen, Øivind; Trinh, Thuat T.; Lervik, Anders
2018-01-01
Density gradient theory for fluids has played a key role in the study of interfacial phenomena for a century. In this work, we revisit its fundamentals by examining the vapor-liquid interface of argon, represented by the cut and shifted Lennard-Jones fluid. The starting point has traditionally been a Helmholtz energy functional using mass densities as arguments. By using rather the internal energy as starting point and including the entropy density as an additional argument, following thereby the phenomenological approach from classical thermodynamics, the extended theory suggests that the configurational part of the temperature has different contributions from the parallel and perpendicular directions at the interface, even at equilibrium. We find a similar anisotropy by examining the configurational temperature in molecular dynamics simulations and obtain a qualitative agreement between theory and simulations. The extended theory shows that the temperature anisotropy originates in nonlocal entropic contributions, which are currently missing from the classical theory. The nonlocal entropic contributions discussed in this work are likely to play a role in the description of both equilibrium and nonequilibrium properties of interfaces. At equilibrium, they influence the temperature- and curvature-dependence of the surface tension. Across the vapor-liquid interface of the Lennard Jones fluid, we find that the maximum in the temperature anisotropy coincides precisely with the maximum in the thermal resistivity relative to the equimolar surface, where the integral of the thermal resistivity gives the Kapitza resistance. This links the temperature anisotropy at equilibrium to the Kapitza resistance of the vapor-liquid interface at nonequilibrium.
The Rate-Controlled Constrained-Equilibrium Approach to Far-From-Local-Equilibrium Thermodynamics
Directory of Open Access Journals (Sweden)
Hameed Metghalchi
2012-01-01
Full Text Available The Rate-Controlled Constrained-Equilibrium (RCCE method for the description of the time-dependent behavior of dynamical systems in non-equilibrium states is a general, effective, physically based method for model order reduction that was originally developed in the framework of thermodynamics and chemical kinetics. A generalized mathematical formulation is presented here that allows including nonlinear constraints in non-local equilibrium systems characterized by the existence of a non-increasing Lyapunov functional under the system’s internal dynamics. The generalized formulation of RCCE enables to clarify the essentials of the method and the built-in general feature of thermodynamic consistency in the chemical kinetics context. In this paper, we work out the details of the method in a generalized mathematical-physics framework, but for definiteness we detail its well-known implementation in the traditional chemical kinetics framework. We detail proofs and spell out explicit functional dependences so as to bring out and clarify each underlying assumption of the method. In the standard context of chemical kinetics of ideal gas mixtures, we discuss the relations between the validity of the detailed balance condition off-equilibrium and the thermodynamic consistency of the method. We also discuss two examples of RCCE gas-phase combustion calculations to emphasize the constraint-dependent performance of the RCCE method.
Comparative evaluation of kinetic, equilibrium and semi-equilibrium models for biomass gasification
Energy Technology Data Exchange (ETDEWEB)
Buragohain, Buljit [Center for Energy, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India); Chakma, Sankar; Kumar, Peeush [Department of Chemical Engineering, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India); Mahanta, Pinakeswar [Center for Energy, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India); Department of Mechanical Engineering, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India); Moholkar, Vijayanand S. [Center for Energy, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India); Department of Chemical Engineering, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India)
2013-07-01
Modeling of biomass gasification has been an active area of research for past two decades. In the published literature, three approaches have been adopted for the modeling of this process, viz. thermodynamic equilibrium, semi-equilibrium and kinetic. In this paper, we have attempted to present a comparative assessment of these three types of models for predicting outcome of the gasification process in a circulating fluidized bed gasifier. Two model biomass, viz. rice husk and wood particles, have been chosen for analysis, with gasification medium being air. Although the trends in molar composition, net yield and LHV of the producer gas predicted by three models are in concurrence, significant quantitative difference is seen in the results. Due to rather slow kinetics of char gasification and tar oxidation, carbon conversion achieved in single pass of biomass through the gasifier, calculated using kinetic model, is quite low, which adversely affects the yield and LHV of the producer gas. Although equilibrium and semi-equilibrium models reveal relative insensitivity of producer gas characteristics towards temperature, the kinetic model shows significant effect of temperature on LHV of the gas at low air ratios. Kinetic models also reveal volume of the gasifier to be an insignificant parameter, as the net yield and LHV of the gas resulting from 6 m and 10 m riser is same. On a whole, the analysis presented in this paper indicates that thermodynamic models are useful tools for quantitative assessment of the gasification process, while kinetic models provide physically more realistic picture.
Sarangapani, Prasad; Hudson, Steven; Pathak, Jai; Migler, Kalman
2013-03-01
Equilibrium and non-equilibrium clustering are ubiquitous phenomena in soft matter physics and are typically observed in systems ranging from colloidal suspensions to monoclonal antibodies (mAbs). Such phenomena are central to understanding and preventing irreversible aggregation in addition to controlling viscosity challenges related to formulation and drug delivery of protein therapeutics. Curiously, little work has been done in exploring the cluster size dependence of low-shear viscosity and intrinsic viscosity in protein solutions in a controlled manner. In this work, we carefully control cluster size of reversible and irreversible clusters formed by globular proteins or monoclonal antibodies over a concentration range of 2 mg/mL-500 mg/mL and pH from 3-9. We find a marked dependence of low-shear viscosity on cluster size using custom-designed silicon-based microfluidic viscometers. Measurements of cluster sizes using static light scattering reveal a correlation of low shear viscosity as well as intrinsic viscosity with the average cluster size. We model the composition dependence of viscosity for the case of equilibrium and non-equilibrium clusters using an adaptation of a model recently presented by Minton for protein mixtures.
Equilibrium and non-equilibrium dynamics simultaneously operate in the Galápagos islands.
Valente, Luis M; Phillimore, Albert B; Etienne, Rampal S
2015-08-01
Island biotas emerge from the interplay between colonisation, speciation and extinction and are often the scene of spectacular adaptive radiations. A common assumption is that insular diversity is at a dynamic equilibrium, but for remote islands, such as Hawaii or Galápagos, this idea remains untested. Here, we reconstruct the temporal accumulation of terrestrial bird species of the Galápagos using a novel phylogenetic method that estimates rates of biota assembly for an entire community. We show that species richness on the archipelago is in an ascending phase and does not tend towards equilibrium. The majority of the avifauna diversifies at a slow rate, without detectable ecological limits. However, Darwin's finches form an exception: they rapidly reach a carrying capacity and subsequently follow a coalescent-like diversification process. Together, these results suggest that avian diversity of remote islands is rising, and challenge the mutual exclusivity of the non-equilibrium and equilibrium ecological paradigms. © 2015 The Authors Ecology Letters published by John Wiley & Sons Ltd and CNRS.
Equilibrium and non-equilibrium dynamics simultaneously operate in the Galápagos islands
Valente, Luis M.; Phillimore, Albert B.; Etienne, Rampal S.
Island biotas emerge from the interplay between colonisation, speciation and extinction and are often the scene of spectacular adaptive radiations. A common assumption is that insular diversity is at a dynamic equilibrium, but for remote islands, such as Hawaii or Galapagos, this idea remains
The distribution coefficient (KD) for the human drug carbamazepine was measured using a non-equilibrium technique. Repacked soil columns were prepared using an Airport silt loam (Typic Natrustalf) with an average organic matter content of 2.45%. Carbamazepine solutions were then leached through th...
Achieving Radiation Tolerance through Non-Equilibrium Grain Boundary Structures.
Vetterick, Gregory A; Gruber, Jacob; Suri, Pranav K; Baldwin, Jon K; Kirk, Marquis A; Baldo, Pete; Wang, Yong Q; Misra, Amit; Tucker, Garritt J; Taheri, Mitra L
2017-09-25
Many methods used to produce nanocrystalline (NC) materials leave behind non-equilibrium grain boundaries (GBs) containing excess free volume and higher energy than their equilibrium counterparts with identical 5 degrees of freedom. Since non-equilibrium GBs have increased amounts of both strain and free volume, these boundaries may act as more efficient sinks for the excess interstitials and vacancies produced in a material under irradiation as compared to equilibrium GBs. The relative sink strengths of equilibrium and non-equilibrium GBs were explored by comparing the behavior of annealed (equilibrium) and as-deposited (non-equilibrium) NC iron films on irradiation. These results were coupled with atomistic simulations to better reveal the underlying processes occurring on timescales too short to capture using in situ TEM. After irradiation, NC iron with non-equilibrium GBs contains both a smaller number density of defect clusters and a smaller average defect cluster size. Simulations showed that excess free volume contribute to a decreased survival rate of point defects in cascades occurring adjacent to the GB and that these boundaries undergo less dramatic changes in structure upon irradiation. These results suggest that non-equilibrium GBs act as more efficient sinks for defects and could be utilized to create more radiation tolerant materials in future.
On thermalization of electron-positron-photon plasma
Energy Technology Data Exchange (ETDEWEB)
Siutsou, I. A., E-mail: siutsou@icranet.org [CAPES–ICRANet program, ICRANet–Rio, CBPF 22290-180, Rua Dr. Xavier Sigaud, 150, Urca, Rio de Janeiro, RJ (Brazil); Aksenov, A. G. [Institute for Computer-Aided Design, Russian Academy of Sciences 123056, 2nd Brestskaya st., 19/18, Moscow (Russian Federation); Vereshchagin, G. V. [ICRANet 65122, p.le della Republica, 10, Pescara (Italy)
2015-12-17
Recently a progress has been made in understanding thermalization mechanism of relativistic plasma starting from a non-equilibrium state. Relativistic Boltzmann equations were solved numerically for homogeneous isotropic plasma with collision integrals for two- and three-particle interactions calculated from the first principles by means of QED matrix elements. All particles were assumed to fulfill Boltzmann statistics. In this work we follow plasma thermalization by accounting for Bose enhancement and Pauli blocking in particle interactions. Our results show that particle in equilibrium reach Bose-Einstein distribution for photons, and Fermi-Dirac one for electrons, respectively.
Gas phase equilibrium structure of histamine.
Tikhonov, Denis S; Rykov, Anatolii N; Grikina, Olga E; Khaikin, Leonid S
2016-02-17
The first gas electron diffraction (GED) experiment for histamine was carried out. The equilibrium structure of histamine in the gas phase was determined on the basis of the data obtained. The refinement was also supported by the rotational constants obtained in previous studies [B. Vogelsanger, et al., J. Am. Chem. Soc., 1991, 113, 7864-7869; P. Godfrey, et al., J. Am. Chem. Soc., 1998, 120, 10724-10732] and quantum chemical calculations. The proposed mechanism of tautomerization by simultaneous intermolecular transfer of hydrogens in a histamine dimer helps to explain the distribution of tautomers in different experiments. The estimations of the conformational interconversion times provided the explanation for the absence of some conformers in the rotational spectroscopy experiments.
Phase-field model of oxidation: Equilibrium.
Sherman, Q C; Voorhees, P W
2017-03-01
A phase-field model of an oxide relevant to corrosion resistant alloys for film thicknesses below the Debye length L_{D}, where charge neutrality in the oxide does not occur, is formulated. The phase-field model is validated in the Wagner limit using a sharp interface Gouy-Chapman model for the electrostatic double layer. The phase-field simulations show that equilibrium oxide films below the Wagner limit are charged throughout due to their inability to electrostatically screen charge over the length of the film, L. The character of the defect and charge distribution profiles in the oxide vary depending on whether reduced oxygen adatoms are present on the gas-oxide interface. The Fermi level in the oxide increases for thinner films, approaching the Fermi level of the metal in the limit L/L_{D}→0, which increases the driving force for adsorbed oxygen reduction at the gas-oxide interface.
Dynamical evolution of quantum oscillators toward equilibrium.
Usha Devi, A R; Rajagopal, A K
2009-07-01
A pure quantum state of large number N of oscillators, interacting via harmonic coupling, evolves such that any small subsystem n
Equilibrium statistical mechanics of lattice models
Lavis, David A
2015-01-01
Most interesting and difficult problems in equilibrium statistical mechanics concern models which exhibit phase transitions. For graduate students and more experienced researchers this book provides an invaluable reference source of approximate and exact solutions for a comprehensive range of such models. Part I contains background material on classical thermodynamics and statistical mechanics, together with a classification and survey of lattice models. The geometry of phase transitions is described and scaling theory is used to introduce critical exponents and scaling laws. An introduction is given to finite-size scaling, conformal invariance and Schramm—Loewner evolution. Part II contains accounts of classical mean-field methods. The parallels between Landau expansions and catastrophe theory are discussed and Ginzburg—Landau theory is introduced. The extension of mean-field theory to higher-orders is explored using the Kikuchi—Hijmans—De Boer hierarchy of approximations. In Part III the use of alge...
Financial markets theory equilibrium, efficiency and information
Barucci, Emilio
2017-01-01
This work, now in a thoroughly revised second edition, presents the economic foundations of financial markets theory from a mathematically rigorous standpoint and offers a self-contained critical discussion based on empirical results. It is the only textbook on the subject to include more than two hundred exercises, with detailed solutions to selected exercises. Financial Markets Theory covers classical asset pricing theory in great detail, including utility theory, equilibrium theory, portfolio selection, mean-variance portfolio theory, CAPM, CCAPM, APT, and the Modigliani-Miller theorem. Starting from an analysis of the empirical evidence on the theory, the authors provide a discussion of the relevant literature, pointing out the main advances in classical asset pricing theory and the new approaches designed to address asset pricing puzzles and open problems (e.g., behavioral finance). Later chapters in the book contain more advanced material, including on the role of information in financial markets, non-c...
Non-Hamiltonian equilibrium statistical mechanics.
Sergi, Alessandro
2003-02-01
In this paper the equilibrium statistical mechanics of non-Hamiltonian systems is formulated introducing an algebraic bracket. The latter defines non-Hamiltonian equations of motion in classical phase space according to the approach introduced in Phys. Rev. E 64, 056125 (2001). The Jacobi identity is no longer satisfied by the generalized bracket and as a result the algebra of phase space functions is not time translation invariant. The presence of a nonzero phase space compressibility spoils also the time-reversal invariance of the dynamics. The general Liouville equation is rederived and the properties of statistical averages are accounted for. The features of time correlation functions and linear response theory are also discussed.
Open quantum systems far from equilibrium
Schaller, Gernot
2014-01-01
This monograph provides graduate students and also professional researchers aiming to understand the dynamics of open quantum systems with a valuable and self-contained toolbox. Special focus is laid on the link between microscopic models and the resulting open-system dynamics. This includes how to derive the celebrated Lindblad master equation without applying the rotating wave approximation. As typical representatives for non-equilibrium configurations it treats systems coupled to multiple reservoirs (including the description of quantum transport), driven systems, and feedback-controlled quantum systems. Each method is illustrated with easy-to-follow examples from recent research. Exercises and short summaries at the end of every chapter enable the reader to approach the frontiers of current research quickly and make the book useful for quick reference.
Nash equilibrium and multi criterion aerodynamic optimization
Tang, Zhili; Zhang, Lianhe
2016-06-01
Game theory and its particular Nash Equilibrium (NE) are gaining importance in solving Multi Criterion Optimization (MCO) in engineering problems over the past decade. The solution of a MCO problem can be viewed as a NE under the concept of competitive games. This paper surveyed/proposed four efficient algorithms for calculating a NE of a MCO problem. Existence and equivalence of the solution are analyzed and proved in the paper based on fixed point theorem. Specific virtual symmetric Nash game is also presented to set up an optimization strategy for single objective optimization problems. Two numerical examples are presented to verify proposed algorithms. One is mathematical functions' optimization to illustrate detailed numerical procedures of algorithms, the other is aerodynamic drag reduction of civil transport wing fuselage configuration by using virtual game. The successful application validates efficiency of algorithms in solving complex aerodynamic optimization problem.
Uncertainty Quantification of Equilibrium Climate Sensitivity
Lucas, D. D.; Brandon, S. T.; Covey, C. C.; Domyancic, D. M.; Johannesson, G.; Klein, R.; Tannahill, J.; Zhang, Y.
2011-12-01
Significant uncertainties exist in the temperature response of the climate system to changes in the levels of atmospheric carbon dioxide. We report progress to quantify the uncertainties of equilibrium climate sensitivity using perturbed parameter ensembles of the Community Earth System Model (CESM). Through a strategic initiative at the Lawrence Livermore National Laboratory, we have been developing uncertainty quantification (UQ) methods and incorporating them into a software framework called the UQ Pipeline. We have applied this framework to generate a large number of ensemble simulations using Latin Hypercube and other schemes to sample up to three dozen uncertain parameters in the atmospheric (CAM) and sea ice (CICE) model components of CESM. The parameters sampled are related to many highly uncertain processes, including deep and shallow convection, boundary layer turbulence, cloud optical and microphysical properties, and sea ice albedo. An extensive ensemble database comprised of more than 46,000 simulated climate-model-years of recent climate conditions has been assembled. This database is being used to train surrogate models of CESM responses and to perform statistical calibrations of the CAM and CICE models given observational data constraints. The calibrated models serve as a basis for propagating uncertainties forward through climate change simulations using a slab ocean model configuration of CESM. This procedure is being used to quantify the probability density function of equilibrium climate sensitivity accounting for uncertainties in climate model processes. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and was funded by the Uncertainty Quantification Strategic Initiative Laboratory Directed Research and Development Project at LLNL under project tracking code 10-SI-013. (LLNL-ABS-491765)
Stochastic driven systems far from equilibrium
Kim, Kyung Hyuk
We study the dynamics and steady states of two systems far from equilibrium: a 1-D driven lattice gas and a driven Brownian particle with inertia. (1) We investigate the dynamical scaling behavior of a 1-D driven lattice gas model with two species of particles hopping in opposite directions. We confirm numerically that the dynamic exponent is equal to z = 1.5. We show analytically that a quasi-particle representation relates all phase points to a special phase line directly related to the single-species asymmetric simple exclusion process. Quasi-particle two-point correlations decay exponentially, and in such a manner that quasi-particles of opposite charge dynamically screen each other with a special balance. The balance encompasses all over the phase space. These results indicate that the model belongs to the Kardar-Parisi-Zhang (KPZ) universality class. (2) We investigate the non-equilibrium thermodynamics of a Brownian particle with inertia under feedback control of its inertia. We find such open systems can act as a molecular refrigerator due to an entropy pumping mechanism. We extend the fluctuation theorems to the refrigerator. The entropy pumping modifies both the Jarzynski equality and the fluctuation theorems. We discover that the entropy pumping has a dual role of work and heat. We also investigate the thermodynamics of the particle under a hydrodynamic interaction described by a Langevin equation with a multiplicative noise. The Stratonovich stochastic integration prescription involved in the definition of heat is shown to be the unique physical choice.
On a quantum phase transition in a steady state out of equilibrium
Aschbacher, Walter H.
2016-10-01
Within the rigorous axiomatic framework for the description of quantum mechanical systems with a large number of degrees of freedom, we show that the nonequilibrium steady state, constructed in the quasifree fermionic system corresponding to the isotropic XY chain in which a finite sample, coupled to two thermal reservoirs at different temperatures, is exposed to a local external magnetic field, is breaking translation invariance and exhibits a strictly positive entropy production rate. Moreover, we prove that there exists a second-order nonequilibrium quantum phase transition with respect to the strength of the magnetic field as soon as the system is truly out of equilibrium.
Capitelli, M; Celiberto, R; Gorse, C; Laricchiuta, A; Pagano, D; Traversa, P
2004-02-01
A study of the dependence of transport coefficients (thermal conductivity, viscosity, electrical conductivity) of local thermodynamic equilibrium H2 plasmas on the presence of electronically atomic excited states, H(n), is reported. The results show that excited states with their "abnormal" cross sections strongly affect the transport coefficients especially at high pressure. Large relative errors are found when comparing the different quantities with the corresponding values obtained by using ground-state transport cross sections. The accuracy of the present calculation is finally discussed in the light of the selection of transport cross sections and in dependence of the considered number of excited states.
Development and Assessment of a Computer-Based Equation of State for Equilibrium Air
2013-09-01
and a thermally imperfect term. This philosophy will be used again and extended later. Regardless of the approach, pressure explicit or free-energy...below ambient was about 1.29*10-10 kg/m3. The limit for current EOS is 10-12 kg/m3. The reduced minimum is more for aesthetic reasons than for...atomic species present at equilibrium but neglected in the AEDC Mollier 2008 EOS. 3.2.2.1 Approach The philosophy for assessing the accuracy in high
Equilibrium Implications of Fiscal Policy with Tax Evasion
DEFF Research Database (Denmark)
Busato, Francesco; Chiarini, Bruno; Rey, Guido M.
This paper studies equilibrium effects of fiscal policy disturbances within a dynamic general equilibrium model where tax evasion and underground activities are explicitly incorporated. There are three mainresults. (i) The underground sector mitigates the distortionary impact of fiscal policies......, while lesseningthe drop (and the rise) of aggregate production after restrictive (expansionary) tax shocks. (ii) Taxevasion and underground economy can rationalize expansionary response to contractionary fiscal policies;(iii) A dynamic general equilibrium with tax evasion gives a rational justification...
Analysis of the chemical equilibrium of combustion at constant volume
Marius BREBENEL
2014-01-01
Determining the composition of a mixture of combustion gases at a given temperature is based on chemical equilibrium, when the equilibrium constants are calculated on the assumption of constant pressure and temperature. In this paper, an analysis of changes occurring when combustion takes place at constant volume is presented, deriving a specific formula of the equilibrium constant. The simple reaction of carbon combustion in pure oxygen in both cases (constant pressure and constant ...
The Hardy-Weinberg Equilibrium--Some Helpful Suggestions.
Ortiz, Mary T.; Taras, Loretta; Stavroulakis, Anthea M.
2000-01-01
Describes an approach that provides mathematical tips and helpful suggestions for presenting the Hardy-Weinberg equilibrium to predict allele frequencies, phenotypes, and genotypes in populations. (ASK)
Applicability of Donnan equilibrium theory at nanochannel-reservoir interfaces.
Tian, Huanhuan; Zhang, Li; Wang, Moran
2015-08-15
Understanding ionic transport in nanochannels has attracted broad attention from various areas in energy and environmental fields. In most pervious research, Donnan equilibrium has been applied widely to nanofluidic systems to obtain ionic concentration and electrical potential at channel-reservoir interfaces; however, as well known that Donnan equilibrium is derived from classical thermodynamic theories with equilibrium assumptions. Therefore the applicability of the Donnan equilibrium may be questionable when the transport at nanochannel-reservoir interface is strongly non-equilibrium. In this work, the Poisson-Nernst-Planck model for ion transport is numerically solved to obtain the exact distributions of ionic concentration and electrical potential. The numerical results are quantitatively compared with the Donnan equilibrium predictions. The applicability of Donnan equilibrium is therefore justified by changing channel length, reservoir ionic concentration, surface charge density and channel height. The results indicate that the Donnan equilibrium is not applicable for short nanochannels, large concentration difference and wide openings. A non-dimensional parameter, Q factor, is proposed to measure the non-equilibrium extent and the relation between Q and the working conditions is studied in detail. Copyright © 2015 Elsevier Inc. All rights reserved.
Computation of the effect of Donnan equilibrium on pH in equilibrium dialysis.
Mapleson, W W
1987-05-01
In equilibrium dialysis, with a nondiffusible, charged protein on one side of the membrane, Donnan equilibrium leads to a pH difference across the membrane. Therefore, with an ionizable drug, the concentration dissolved in water will be different on the two sides of the membrane to an extent dependent on the pH difference and the pKa of the drug. This must be allowed for in calculating the concentration bound to protein. This paper develops, with certain restrictions, a method of calculating the pH difference when the solutions contain electrolytes, acids, including CO2, and proteins. The method is applicable to pH differences across passive cell membranes.
DEFF Research Database (Denmark)
d’Ambrosio Alfano, Francesca Romana; Olesen, Bjarne W.; Palella, Boris Igor
2014-01-01
Thermal comfort is one of the most important aspects of the indoor environmental quality due to its effects on well-being, people's performance and building energy requirements. Its attainment is not an easy task requiring advanced design and operation of building and HVAC systems, taking...... under specific conditions. At operation level, only few variables are taken into account with unpredictable effects on the assessment of comfort indices. In this paper, the main criteria for the design and assessment of thermal comfort are discussed in order to help building and HVAC systems designers...... into account all parameters involved. Even though thermal comfort fundamentals are consolidated topics for more than forty years, often designers seem to ignore or apply them in a wrong way. Design input values from standards are often considered as universal values rather than recommended values to be used...
Kanoatov, Mirzo; Galievsky, Victor A; Krylova, Svetlana M; Cherney, Leonid T; Jankowski, Hanna K; Krylov, Sergey N
2015-03-03
Nonequilibrium capillary electrophoresis of equilibrium mixtures (NECEEM) is a versatile tool for studying affinity binding. Here we describe a NECEEM-based approach for simultaneous determination of both the equilibrium constant, K(d), and the unknown concentration of a binder that we call a target, T. In essence, NECEEM is used to measure the unbound equilibrium fraction, R, for the binder with a known concentration that we call a ligand, L. The first set of experiments is performed at varying concentrations of T, prepared by serial dilution of the stock solution, but at a constant concentration of L, which is as low as its reliable quantitation allows. The value of R is plotted as a function of the dilution coefficient, and dilution corresponding to R = 0.5 is determined. This dilution of T is used in the second set of experiments in which the concentration of T is fixed but the concentration of L is varied. The experimental dependence of R on the concentration of L is fitted with a function describing their theoretical dependence. Both K(d) and the concentration of T are used as fitting parameters, and their sought values are determined as the ones that generate the best fit. We have fully validated this approach in silico by using computer-simulated NECEEM electropherograms and then applied it to experimental determination of the unknown concentration of MutS protein and K(d) of its interactions with a DNA aptamer. The general approach described here is applicable not only to NECEEM but also to any other method that can determine a fraction of unbound molecules at equilibrium.
Equilibrium and non-equilibrium concentration fluctuations in a critical binary mixture.
Giavazzi, Fabio; Fornasieri, Alessandro; Vailati, Alberto; Cerbino, Roberto
2016-10-01
When a macroscopic concentration gradient is present across a binary mixture, long-ranged non-equilibrium concentration fluctuations (NCF) appear as a consequence of the coupling between the gradient and spontaneous equilibrium velocity fluctuations. Long-ranged equilibrium concentration fluctuations (ECF) may be also observed when the mixture is close to a critical point. Here we study the interplay between NCF and critical ECF in a near-critical mixture aniline/cyclohexane in the presence of a vertical concentration gradient. To this aim, we exploit a commercial optical microscope and a simple, custom-made, temperature-controlled cell to obtain simultaneous static and dynamic scattering information on the fluctuations. We first characterise the critical ECF at fixed temperature T above the upper critical solution temperature Tc, in the wide temperature range [Formula: see text] °C. In this range, we observe the expected critical scaling behaviour for both the scattering intensity and the mass diffusion coefficient and we determine the critical exponents [Formula: see text], [Formula: see text] and [Formula: see text], which are found in agreement with the 3D Ising values. We then study the system in the two-phase region (T T i. During the transient, a vertical diffusive mass flux is present that causes the onset of NCF, whose amplitude vanishes with time, as the flux goes to zero. We also study the time dependence of the equilibrium scattering intensity I eq, of the crossover wave vector q co and of the diffusion coefficient D during diffusion and find that all these quantities exhibit an exponential relaxation enslaved to the diffusive kinetics.
A. A. Dorofeev; D. M. Yagodnikov
2016-01-01
The paper studies the emerging hallmarks and the characteristics of a two-parameter chemical non-equilibrium structure of the combustion products of liquid propellants as applied to the low-thrust liquid propellant engines (LT LPE) operating in the aircraft control system. The study is based on hydrazine and nitrogen tetroxide products. The paper also analyses the catalytic and thermal decomposition of these substances in terms of inter-conditionality of the working process components in the ...
Crema, Enrico R.; Kandler, Anne; Shennan, Stephen
2016-12-01
A long tradition of cultural evolutionary studies has developed a rich repertoire of mathematical models of social learning. Early studies have laid the foundation of more recent endeavours to infer patterns of cultural transmission from observed frequencies of a variety of cultural data, from decorative motifs on potsherds to baby names and musical preferences. While this wide range of applications provides an opportunity for the development of generalisable analytical workflows, archaeological data present new questions and challenges that require further methodological and theoretical discussion. Here we examine the decorative motifs of Neolithic pottery from an archaeological assemblage in Western Germany, and argue that the widely used (and relatively undiscussed) assumption that observed frequencies are the result of a system in equilibrium conditions is unwarranted, and can lead to incorrect conclusions. We analyse our data with a simulation-based inferential framework that can overcome some of the intrinsic limitations in archaeological data, as well as handle both equilibrium conditions and instances where the mode of cultural transmission is time-variant. Results suggest that none of the models examined can produce the observed pattern under equilibrium conditions, and suggest. instead temporal shifts in the patterns of cultural transmission.
Modeling rocky coastline evolution and equilibrium
Limber, P. W.; Murray, A. B.
2010-12-01
Many of the world’s rocky coastlines exhibit planform roughness in the form of alternating headlands and embayments. Along cliffed coasts, it is often assumed that headlands consist of rock that is more resistant to wave attack than in neighboring bays, because of either structural or lithologic variations. Bays would then retreat landward faster than headlands, creating the undulating planform profiles characteristic of a rocky coastal landscape. While the interplay between alongshore rock strength and nearshore wave energy is, in some circumstances, a fundamental control on coastline shape, beach sediment is also important. Laboratory experiments and field observations have shown that beach sediment, in small volumes, can act as an abrasive tool to encourage sea cliff retreat. In large volumes, though, sediment discourages wave attack on the cliff face, acting as a protective barrier. This nonlinearity suggests a means for headland persistence, even without alongshore variations in rock strength: bare-rock headlands could retreat more slowly than, or at the same rate as, neighboring sediment-filled embayments because of alongshore variations in the availability of beach sediment. Accordingly, nearshore sediment dynamics (i.e. sediment production from sea cliff retreat and alongshore sediment transport) could promote the development of autogenic planform geometry. To explore these ideas, we present numerical and analytical modeling of large-scale (> one kilometer) and long-term (millennial-scale) planform rocky coastline evolution, in which sediment is supplied by both sea cliff erosion and coastal rivers and is distributed by alongshore sediment transport. We also compare model predictions with real landscapes. Previously, our modeling exercises focused on a basic rocky coastline configuration where lithologically-homogeneous sea cliffs supplied all beach sediment and maintained a constant alongshore height. Results showed that 1) an equilibrium alongshore
Two-component Fermi-liquid theory - Equilibrium properties of liquid metallic hydrogen
Oliva, J.; Ashcroft, N. W.
1981-01-01
It is reported that the transition of condensed hydrogen from an insulating molecular crystal phase to a metallic liquid phase, at zero temperature and high pressure, appears possible. Liquid metallic hydrogen (LMH), comprising interpenetrating proton and electron fluids, would constitute a two-component Fermi liquid with both a very high component-mass ratio and long-range, species-dependent bare interactions. The low-temperature equilibrium properties of LMH are examined by means of a generalization to the case of two components of the phenomenological Landau Fermi-liquid theory, and the low-temperature specific heat, compressibility, thermal expansion coefficient and spin susceptibility are given. It is found that the specific heat and the thermal expansion coefficient are vastly greater in the liquid than in the corresponding solid, due to the presence of proton quasiparticle excitations in the liquid.
Fixed points and flow analysis on off-equilibrium dynamics in the boson Boltzmann equation
Fukushima, Kenji; Murase, Koichi; Pu, Shi
2017-11-01
We consider fixed points of steady solutions and flow directions using the boson Boltzmann equation that is a one-dimensionally reduced kinetic equation after the angular integration. With an elastic collision integral of the two-to-two scattering process, in the dense (dilute) regime where the distribution function is large (small), the boson Boltzmann equation has approximate fixed points with a power-law spectrum in addition to the thermal distribution function. We argue that the power-law fixed point can be exact in special cases. We elaborate a graphical presentation to display evolving flow directions similarly to the renormalization group flow, which explicitly exhibits how fixed points are connected and parameter space is separated by critical lines. We discuss that such a flow diagram contains useful information on thermalization processes out of equilibrium.
Hu, Ya-Peng; Pan, Feng; Wu, Xin-Meng
2017-09-01
It is well known that the black hole can have temperature and radiate the particles with black body spectrum, i.e. Hawking radiation. Therefore, if the black hole is surrounded by an isolated box, there is a thermal equilibrium between the black hole and radiation gas. A simple case considering the thermal equilibrium between the Schwarzschild black hole and radiation gas in an isolated box has been well investigated previously in detail, i.e. taking the conservation of energy and principle of maximal entropy for the isolated system into account. In this paper, following the above spirit, the effects of massive graviton on the thermal equilibrium will be investigated. For the gravity with massive graviton, we will use the de Rham-Gabadadze-Tolley (dRGT) massive gravity which has been proven to be ghost free. Because the graviton mass depends on two parameters in the dRGT massive gravity, here we just investigate two simple cases related to the two parameters, respectively. Our results show that in the first case the massive graviton can suppress or increase the condensation of black hole in the radiation gas although the T-E diagram is similar as the Schwarzschild black hole case. For the second case, a new T-E diagram has been obtained. Moreover, an interesting and important prediction is that the condensation of black hole just increases from the zero radius of horizon in this case, which is very different from the Schwarzschild black hole case.
Directory of Open Access Journals (Sweden)
Ya-Peng Hu
2017-09-01
Full Text Available It is well known that the black hole can have temperature and radiate the particles with black body spectrum, i.e. Hawking radiation. Therefore, if the black hole is surrounded by an isolated box, there is a thermal equilibrium between the black hole and radiation gas. A simple case considering the thermal equilibrium between the Schwarzschild black hole and radiation gas in an isolated box has been well investigated previously in detail, i.e. taking the conservation of energy and principle of maximal entropy for the isolated system into account. In this paper, following the above spirit, the effects of massive graviton on the thermal equilibrium will be investigated. For the gravity with massive graviton, we will use the de Rham–Gabadadze–Tolley (dRGT massive gravity which has been proven to be ghost free. Because the graviton mass depends on two parameters in the dRGT massive gravity, here we just investigate two simple cases related to the two parameters, respectively. Our results show that in the first case the massive graviton can suppress or increase the condensation of black hole in the radiation gas although the T–E diagram is similar as the Schwarzschild black hole case. For the second case, a new T–E diagram has been obtained. Moreover, an interesting and important prediction is that the condensation of black hole just increases from the zero radius of horizon in this case, which is very different from the Schwarzschild black hole case.
Multiscale modeling of thermal conductivity of polycrystalline graphene sheets.
Mortazavi, Bohayra; Pötschke, Markus; Cuniberti, Gianaurelio
2014-03-21
We developed a multiscale approach to explore the effective thermal conductivity of polycrystalline graphene sheets. By performing equilibrium molecular dynamics (EMD) simulations, the grain size effect on the thermal conductivity of ultra-fine grained polycrystalline graphene sheets is investigated. Our results reveal that the ultra-fine grained graphene structures have thermal conductivity one order of magnitude smaller than that of pristine graphene. Based on the information provided by the EMD simulations, we constructed finite element models of polycrystalline graphene sheets to probe the thermal conductivity of samples with larger grain sizes. Using the developed multiscale approach, we also investigated the effects of grain size distribution and thermal conductivity of grains on the effective thermal conductivity of polycrystalline graphene. The proposed multiscale approach on the basis of molecular dynamics and finite element methods could be used to evaluate the effective thermal conductivity of polycrystalline graphene and other 2D structures.
Thermal conductivity of penta-graphene from molecular dynamics study.
Xu, Wen; Zhang, Gang; Li, Baowen
2015-10-21
Using classical equilibrium molecular dynamics simulations and applying the original Tersoff interatomic potential, we study the thermal transport property of the latest two dimensional carbon allotrope, penta-graphene. It is predicted that its room-temperature thermal conductivity is about 167 W/mK, which is much lower than that of graphene. With normal mode decomposition, the accumulated thermal conductivity with respect to phonon frequency and mean free path is analyzed. It is found that the acoustic phonons make a contribution of about 90% to the thermal conductivity, and phonons with mean free paths larger than 100 nm make a contribution over 50%. We demonstrate that the remarkably lower thermal conductivity of penta-graphene compared with graphene results from the lower phonon group velocities and fewer collective phonon excitations. Our study highlights the importance of structure-property relationship and provides better understanding of thermal transport property and valuable insight into thermal management of penta-graphene.
Calculation of individual isotope equilibrium constants for geochemical reactions
Thorstenson, D.C.; Parkhurst, D.L.
2004-01-01
Theory is derived from the work of Urey (Urey H. C. [1947] The thermodynamic properties of isotopic substances. J. Chem. Soc. 562-581) to calculate equilibrium constants commonly used in geochemical equilibrium and reaction-transport models for reactions of individual isotopic species. Urey showed that equilibrium constants of isotope exchange reactions for molecules that contain two or more atoms of the same element in equivalent positions are related to isotope fractionation factors by ?? = (Kex)1/n, where n is the number of atoms exchanged. This relation is extended to include species containing multiple isotopes, for example 13C16O18O and 1H2H18O. The equilibrium constants of the isotope exchange reactions can be expressed as ratios of individual isotope equilibrium constants for geochemical reactions. Knowledge of the equilibrium constant for the dominant isotopic species can then be used to calculate the individual isotope equilibrium constants. Individual isotope equilibrium constants are calculated for the reaction CO2g = CO2aq for all species that can be formed from 12C, 13C, 16O, and 18O; for the reaction between 12C18 O2aq and 1H218Ol; and among the various 1H, 2H, 16O, and 18O species of H2O. This is a subset of a larger number of equilibrium constants calculated elsewhere (Thorstenson D. C. and Parkhurst D. L. [2002] Calculation of individual isotope equilibrium constants for implementation in geochemical models. Water-Resources Investigation Report 02-4172. U.S. Geological Survey). Activity coefficients, activity-concentration conventions for the isotopic variants of H2O in the solvent 1H216Ol, and salt effects on isotope fractionation have been included in the derivations. The effects of nonideality are small because of the chemical similarity of different isotopic species of the same molecule or ion. The temperature dependence of the individual isotope equilibrium constants can be calculated from the temperature dependence of the fractionation
Non-equilibrium dynamics from RPMD and CMD
Welsch, Ralph; Song, Kai; Shi, Qiang; Althorpe, Stuart C.; Miller, Thomas F.
2016-11-01
We investigate the calculation of approximate non-equilibrium quantum time correlation functions (TCFs) using two popular path-integral-based molecular dynamics methods, ring-polymer molecular dynamics (RPMD) and centroid molecular dynamics (CMD). It is shown that for the cases of a sudden vertical excitation and an initial momentum impulse, both RPMD and CMD yield non-equilibrium TCFs for linear operators that are exact for high temperatures, in the t = 0 limit, and for harmonic potentials; the subset of these conditions that are preserved for non-equilibrium TCFs of non-linear operators is also discussed. Furthermore, it is shown that for these non-equilibrium initial conditions, both methods retain the connection to Matsubara dynamics that has previously been established for equilibrium initial conditions. Comparison of non-equilibrium TCFs from RPMD and CMD to Matsubara dynamics at short times reveals the orders in time to which the methods agree. Specifically, for the position-autocorrelation function associated with sudden vertical excitation, RPMD and CMD agree with Matsubara dynamics up to O (t4) and O (t1) , respectively; for the position-autocorrelation function associated with an initial momentum impulse, RPMD and CMD agree with Matsubara dynamics up to O (t5) and O (t2) , respectively. Numerical tests using model potentials for a wide range of non-equilibrium initial conditions show that RPMD and CMD yield non-equilibrium TCFs with an accuracy that is comparable to that for equilibrium TCFs. RPMD is also used to investigate excited-state proton transfer in a system-bath model, and it is compared to numerically exact calculations performed using a recently developed version of the Liouville space hierarchical equation of motion approach; again, similar accuracy is observed for non-equilibrium and equilibrium initial conditions.
Non-equilibrium dynamics from RPMD and CMD.
Welsch, Ralph; Song, Kai; Shi, Qiang; Althorpe, Stuart C; Miller, Thomas F
2016-11-28
We investigate the calculation of approximate non-equilibrium quantum time correlation functions (TCFs) using two popular path-integral-based molecular dynamics methods, ring-polymer molecular dynamics (RPMD) and centroid molecular dynamics (CMD). It is shown that for the cases of a sudden vertical excitation and an initial momentum impulse, both RPMD and CMD yield non-equilibrium TCFs for linear operators that are exact for high temperatures, in the t = 0 limit, and for harmonic potentials; the subset of these conditions that are preserved for non-equilibrium TCFs of non-linear operators is also discussed. Furthermore, it is shown that for these non-equilibrium initial conditions, both methods retain the connection to Matsubara dynamics that has previously been established for equilibrium initial conditions. Comparison of non-equilibrium TCFs from RPMD and CMD to Matsubara dynamics at short times reveals the orders in time to which the methods agree. Specifically, for the position-autocorrelation function associated with sudden vertical excitation, RPMD and CMD agree with Matsubara dynamics up to O(t4) and O(t1), respectively; for the position-autocorrelation function associated with an initial momentum impulse, RPMD and CMD agree with Matsubara dynamics up to O(t5) and O(t2), respectively. Numerical tests using model potentials for a wide range of non-equilibrium initial conditions show that RPMD and CMD yield non-equilibrium TCFs with an accuracy that is comparable to that for equilibrium TCFs. RPMD is also used to investigate excited-state proton transfer in a system-bath model, and it is compared to numerically exact calculations performed using a recently developed version of the Liouville space hierarchical equation of motion approach; again, similar accuracy is observed for non-equilibrium and equilibrium initial conditions.
Pore-scale Analysis of Equilibrium and Non-equilibrium DNAPL Mass Transfer
Roberts, K. L.; Willson, C. S.; Thompson, K. E.; Moe, W. M.
2008-12-01
A large number of groundwater aquifers are contaminated by dense nonaqueous phase liquids (DNAPL) comprised of chlorinated hydrocarbons. While there have been a large number of experimental and modeling studies investigating NAPL dissolution at various length scales, rate-limiting processes involved in DNAPL dissolution remain poorly understood. Appropriate mathematical models for describing localized phenomena in a manner conducive to continuum scale modeling are not yet fully developed or have not been robustly tested in comparison to experimental data. Here, high-resolution (i.e., ~10 micron) synchrotron X-ray tomography was used to non-destructively obtain three-dimensional images of the internal structure of a series of unconsolidated porous media (40/50 Accusand) systems at various stages of tetrachloroethene (PCE) dissolution during equilibrium and non-equilibrium mass transfer conditions. Algorithms developed by our group were used to: (1) quantify the granular packing characteristics (e.g., grain sizes, shapes, coordination number); (2) pore network structure (e.g., individual pore body geometry and connectivity); and (3) DNAPL blob characteristics (e.g., blobs sizes, interfacial areas); and (4) correlations between the blob characteristics and pore network structure. Generation of the detailed pore network structure allowed pore network modeling to be performed on the actual void space geometry and topology. A unique aspect of this approach is that it directly incorporated pore-scale preferential flow paths that formed due to pore-level heterogeneities and NAPL blob location and geometry. Analysis of the granular packing and pore network structure properties indicate that the column preparation technique resulted in uniform packing among the different systems. This allowed us to assess the impact of flowrates and local pore-level properties on mass transfer and dissolution of individual DNAPL blobs. Experimental results from columns subjected to low flow
A tightly coupled non-equilibrium model for inductively coupled radio-frequency plasmas
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Munafò, A., E-mail: munafo@illinois.edu; Alfuhaid, S. A., E-mail: alfuhai2@illinois.edu; Panesi, M., E-mail: mpanesi@illinois.edu [Department of Aerospace Engineering, University of Illinois at Urbana-Champaign, Talbot Laboratory, 104 S. Wright St., Urbana, Illinois 61801 (United States); Cambier, J.-L., E-mail: jean-luc.cambier@us.af.mil [Edwards Air Force Base Research Laboratory, 10 E. Saturn Blvd., Edwards AFB, California 93524 (United States)
2015-10-07
The objective of the present work is the development of a tightly coupled magneto-hydrodynamic model for inductively coupled radio-frequency plasmas. Non Local Thermodynamic Equilibrium (NLTE) effects are described based on a hybrid State-to-State approach. A multi-temperature formulation is used to account for thermal non-equilibrium between translation of heavy-particles and vibration of molecules. Excited electronic states of atoms are instead treated as separate pseudo-species, allowing for non-Boltzmann distributions of their populations. Free-electrons are assumed Maxwellian at their own temperature. The governing equations for the electro-magnetic field and the gas properties (e.g., chemical composition and temperatures) are written as a coupled system of time-dependent conservation laws. Steady-state solutions are obtained by means of an implicit Finite Volume method. The results obtained in both LTE and NLTE conditions over a broad spectrum of operating conditions demonstrate the robustness of the proposed coupled numerical method. The analysis of chemical composition and temperature distributions along the torch radius shows that: (i) the use of the LTE assumption may lead to an inaccurate prediction of the thermo-chemical state of the gas, and (ii) non-equilibrium phenomena play a significant role close the walls, due to the combined effects of Ohmic heating and macroscopic gradients.
Validation of vibration-dissociation coupling models in hypersonic non-equilibrium separated flows
Shoev, G.; Oblapenko, G.; Kunova, O.; Mekhonoshina, M.; Kustova, E.
2018-03-01
The validation of recently developed models of vibration-dissociation coupling is discussed in application to numerical solutions of the Navier-Stokes equations in a two-temperature approximation for a binary N2/N flow. Vibrational-translational relaxation rates are computed using the Landau-Teller formula generalized for strongly non-equilibrium flows obtained in the framework of the Chapman-Enskog method. Dissociation rates are calculated using the modified Treanor-Marrone model taking into account the dependence of the model parameter on the vibrational state. The solutions are compared to those obtained using traditional Landau-Teller and Treanor-Marrone models, and it is shown that for high-enthalpy flows, the traditional and recently developed models can give significantly different results. The computed heat flux and pressure on the surface of a double cone are in a good agreement with experimental data available in the literature on low-enthalpy flow with strong thermal non-equilibrium. The computed heat flux on a double wedge qualitatively agrees with available data for high-enthalpy non-equilibrium flows. Different contributions to the heat flux calculated using rigorous kinetic theory methods are evaluated. Quantitative discrepancy of numerical and experimental data is discussed.
Equilibrium states of open quantum systems in the strong coupling regime.
Subaşı, Y; Fleming, C H; Taylor, J M; Hu, B L
2012-12-01
In this work we investigate the late-time steady states of open quantum systems coupled to a thermal reservoir in the strong coupling regime. In general such systems do not necessarily relax to a Boltzmann distribution if the coupling to the thermal reservoir is nonvanishing or equivalently if the relaxation time scales are finite. Using a variety of nonequilibrium formalisms valid for non-Markovian processes, we show that starting from a product state of the closed system = system+environment, with the environment in its thermal state, the open system which results from coarse graining the environment will evolve towards an equilibrium state at late times. This state can be expressed as the reduced state of the closed system thermal state at the temperature of the environment. For a linear (harmonic) system and environment, which is exactly solvable, we are able to show in a rigorous way that all multitime correlations of the open system evolve towards those of the closed system thermal state. Multitime correlations are especially relevant in the non-Markovian regime, since they cannot be generated by the dynamics of the single-time correlations. For more general systems, which cannot be exactly solved, we are able to provide a general proof that all single-time correlations of the open system evolve to those of the closed system thermal state, to first order in the relaxation rates. For the special case of a zero-temperature reservoir, we are able to explicitly construct the reduced closed system thermal state in terms of the environmental correlations.
The negative perception some consumers hold regarding agricultural chemicals has resulted in an increased demand for organic foods and fibers, and in increasing political pressure for the regulation of agricultural production practices. This has revived interest in thermal defoliation of cotton and ...
Balasubramanian, V.; Bernamonti, A.; de Boer, J.; Copland, N.; Craps, B.; Keski-Vakkuri, E.; Müller, B.; Schäfer, A.; Shigemori, M.; Staessens, W.
2011-01-01
Using the AdS/CFT correspondence, we probe the scale-dependence of thermalization in strongly coupled field theories following a quench, via calculations of two-point functions, Wilson loops and entanglement entropy in d=2,3,4. In the saddlepoint approximation these probes are computed in AdS space
Plate Tectonics as a Far-From-Equilibrium Self-Organized Dissipative System
Anderson, D. L.
2001-12-01
A fluid above the critical Rayleigh number is far from equilibrium and spontaneously organizes itself into patterns involving the collective motion of large numbers of molecules which are resisted by the viscosity of the fluid. No external template is involved in forming the pattern. In 1928 Pearson showed that Bénard's experiments were driven by variations in surface tension at the top of the fluid and the surface motions drove convection in the fluid. In this case, the surface organized itself AND the underlying fluid. Both internal buoyancy driven flow and flow driven by surface forces can be far-from-equilibrium self-organized open systems that receive energy and matter from the environment. In the Earth, the cold thermal boundary layer at the surface drives plate tectonics and introduces temperature, shear and pressure gradients into the mantle that drive mantle convection. The mantle provides energy and material but may not provide the template. Plate tectonics is therefore a candidate for a far-from-equilibrium dissipative self-organizing system. Alternatively, one could view mantle convection as the self-organized system and the plates as simply the surface manifestation. Lithospheric architecture also imposes lateral temperature gradients onto the mantle which can drive and organize flow. Far-from-equilibrium self-organization requires; an open system, interacting parts, nonlinearities or feedbacks, an outside steady source of energy or matter, multiple possible states and a source of dissipation. In uniform fluids viscosity is the source of dissipation. Sources of dissipation in the plate system include bending, breaking, folding, shearing, tearing, collision and basal drag. These can change rapidly, in contrast to plate driving forces, and introduce the sort of fluctuations that can reorganize far-from-equilibrium systems. Global plate reorganizations can alternatively be thought of as convective overturns of the mantle, or thermal weakening of plates
Multimodal Network Equilibrium with Stochastic Travel Times
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M. Meng
2014-01-01
Full Text Available The private car, unlike public traffic modes (e.g., subway, trolley running along dedicated track-ways, is invariably subject to various uncertainties resulting in travel time variation. A multimodal network equilibrium model is formulated that explicitly considers stochastic link capacity variability in the road network. The travel time of combined-mode trips is accumulated based on the concept of the mean excess travel time (METT which is a summation of estimated buffer time and tardy time. The problem is characterized by an equivalent VI (variational inequality formulation where the mode choice is expressed in a hierarchical logit structure. Specifically, the supernetwork theory and expansion technique are used herein to represent the multimodal transportation network, which completely represents the combined-mode trips as constituting multiple modes within a trip. The method of successive weighted average is adopted for problem solutions. The model and solution method are further applied to study the trip distribution and METT variations caused by the different levels of the road conditions. Results of numerical examples show that travelers prefer to choose the combined travel mode as road capacity decreases. Travelers with different attitudes towards risk are shown to exhibit significant differences when making travel choice decisions.
Classical or equilibrium thermodynamics: basic conceptual aspects
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Luiz Augusto Calvo Tiritan
2008-08-01
Full Text Available The Classical or Equilibrium Thermodynamics is one of the most consolidated fields of Physics. It is synthesized by a well-known and self coherent knowledge structure. The essence of the Classical Thermodynamics theoretical structure consists of a set of natural laws that rule the macroscopic physical systems behavior. These laws were formulated based on observations generalizations and are mostly independent of any hypotheses concerning the microscopic nature of the matter. In general, the approaches established for the Classical Thermodynamics follow one of the following alternatives: the historical approach that describes chronologically the evolution of ideas, concepts and facts, and the postulational approach in which postulates are formulated but are not demonstrated a priori but can be confirmed a posteriori. In this work, a brief review of the pre-classical historical approach conceptual evolution is elaborated, from the beginning of the seventeenth century to the middle of the nineteenth century. As for this, the following themes are dealt with in an evolutionary and phenomenological way: heat nature, thermometry, calorimetry, Carnot’s heat engine, heat mechanical equivalent and the first and second laws. The Zeroth law that was formulated afterwards is included in the discussion.
Conditions for equilibrium solid-stabilized emulsions.
Kraft, Daniela J; de Folter, Julius W J; Luigjes, Bob; Castillo, Sonja I R; Sacanna, Stefano; Philipse, Albert P; Kegel, Willem K
2010-08-19
Particular types of solid-stabilized emulsions can be thermodynamically stable as evidenced by their spontaneous formation and monodisperse droplet size, which only depends on system parameters. Here, we investigate the generality of these equilibrium solid-stabilized emulsions with respect to the basic constituents: aqueous phase with ions, oil, and stabilizing particles. From systematic variations of these constituents, we identify general conditions for the spontaneous formation of monodisperse solid-stabilized emulsions droplets. We conclude that emulsion stability is achieved by a combination of solid particles as well as amphiphilic ions adsorbed at the droplet surface, and low interfacial tensions of the bare oil-water interface of order 10 mN/m or below. Furthermore, preferential wetting of the colloidal particles by the oil phase is necessary for thermodynamic stability. We demonstrate the sufficiency of these basic requirements by extending the observed thermodynamic stability to emulsions of different compositions. Our findings point to a new class of colloid-stabilized meso-emulsions with a potentially high impact on industrial emulsification processes due to the associated large energy savings.
Shear viscosity and out of equilibrium dynamics
El, Andrej; Xu, Zhe; Greiner, Carsten
2009-01-01
Using the Grad's method we calculate the entropy production and derive a formula for the second order shear viscosity coefficient in a one-dimensionally expanding particle system, which can also be considered out of chemical equilibrium. For a one-dimensional expansion of gluon matter with Bjorken boost invariance the shear tensor and the shear viscosity to entropy density ratio $\\eta/s$ are numerically calculated by an iterative and self-consistent prescription within the second order Israel-Stewart hydrodynamics and by a microscopic parton cascade transport theory. Compared with $\\eta/s$ obtained using the Navier-Stokes approximation, the present result is about 20% larger at a QCD coupling $\\alpha_s \\sim 0.3$(with $\\eta/s\\approx 0.18$) and is a factor of 2-3 larger at a small coupling $\\alpha_s \\sim 0.01$. We demonstrate an agreement between the viscous hydrodynamic calculations and the microscopic transport results on $\\eta/s$, except when employing a small $\\alpha_s$. On the other hand, we demonstrate th...
Shear viscosity and out of equilibrium dynamics
El, Andrej; Xu, Zhe; Greiner, Carsten
2009-01-01
Using Grad’s method, we calculate the entropy production and derive a formula for the second-order shear viscosity coefficient in a one-dimensionally expanding particle system, which can also be considered out of chemical equilibrium. For a one-dimensional expansion of gluon matter with Bjorken boost invariance, the shear tensor and the shear viscosity to entropy density ratio η/s are numerically calculated by an iterative and self-consistent prescription within the second-order Israel-Stewart hydrodynamics and by a microscopic parton cascade transport theory. Compared with η/s obtained using the Navier-Stokes approximation, the present result is about 20% larger at a QCD coupling αs ∼ 0.3 (with η/s ≈ 0.18) and is a factor of 2–3 larger at a small coupling αs ∼ 0.01. We demonstrate an agreement between the viscous hydrodynamic calculations and the microscopic transport results on η/s, except when employing a small αs . On the other hand, we demonstrate that for such small αs , the gluon syst...
Non-Equilibrium Thermodynamics of Transcriptional Bursts
Hernández-Lemus, Enrique
Gene transcription or Gene Expression (GE) is the process which transforms the information encoded in DNA into a functional RNA message. It is known that GE can occur in bursts or pulses. Transcription is irregular, with strong periods of activity, interspersed by long periods of inactivity. If we consider the average behavior over millions of cells, this process appears to be continuous. But at the individual cell level, there is considerable variability, and for most genes, very little activity at any one time. Some have claimed that GE bursting can account for the high variability in gene expression occurring between cells in isogenic populations. This variability has a big impact on cell behavior and thus on phenotypic conditions and disease. In view of these facts, the development of a thermodynamic framework to study gene expression and transcriptional regulation to integrate the vast amount of molecular biophysical GE data is appealing. Application of such thermodynamic formalism is useful to observe various dissipative phenomena in GE regulatory dynamics. In this chapter we will examine at some detail the complex phenomena of transcriptional bursts (specially of a certain class of anomalous bursts) in the context of a non-equilibrium thermodynamics formalism and will make some initial comments on the relevance of some irreversible processes that may be connected to anomalous transcriptional bursts.
Amazon basin: a system in equilibrium.
Salati, E; Vose, P B
1984-07-13
Despite the very active deforestation of the last decade, the Amazon Basin is still primarily covered with trees and is a system in equilibrium. The Andes form a barrier at the western end of the basin and, coupled with the prevailing easterly winds, ensure an almost unique precipitation and water-recycling regime. On average 50 percent of the precipitation is recycled, and in some areas even more. The soils are poor. Most of the nitrogen and phosphorus is found in the soil, and the remaining nutrient elements are found in the standing biomass. There is some nutrient recycling and little loss from the intact ecosystem, and the small input of nutrients from precipitation maintains a small positive nutrient balance. Continued large-scale deforestation is likely to lead to increased erosion and water runoff with initial flooding in the lower Amazon, together with reduced evapotranspiration and ultimately reduced precipitation. Reduced precipitation in the Amazon could increase the tendency toward continentality and adversely affect climate and the present agriculture in south-central Brazil.
Binding Energy and Equilibrium of Compact Objects
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Germano M.
2014-04-01
Full Text Available The theoretical analysis of the existence of a limit mass for compact astronomic ob- jects requires the solution of the Einstein’s equations of g eneral relativity together with an appropriate equation of state. Analytical solutions exi st in some special cases like the spherically symmetric static object without energy sou rces that is here considered. Solutions, i.e. the spacetime metrics, can have a singular m athematical form (the so called Schwarzschild metric due to Hilbert or a nonsingula r form (original work of Schwarzschild. The former predicts a limit mass and, conse quently, the existence of black holes above this limit. Here it is shown that, the origi nal Schwarzschild met- ric permits compact objects, without mass limit, having rea sonable values for central density and pressure. The lack of a limit mass is also demonst rated analytically just imposing reasonable conditions on the energy-matter densi ty, of positivity and decreas- ing with radius. Finally the ratio between proper mass and to tal mass tends to 2 for high values of mass so that the binding energy reaches the lim it m (total mass seen by a distant observer. As it is known the negative binding energ y reduces the gravitational mass of the object; the limit of m for the binding energy provides a mechanism for stable equilibrium of any amount of mass to contrast the gravitatio nal collapse.
Chloride equilibrium potential in salamander cones
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Bryson Eric J
2004-12-01
Full Text Available Abstract Background GABAergic inhibition and effects of intracellular chloride ions on calcium channel activity have been proposed to regulate neurotransmission from photoreceptors. To assess the impact of these and other chloride-dependent mechanisms on release from cones, the chloride equilibrium potential (ECl was determined in red-sensitive, large single cones from the tiger salamander retinal slice. Results Whole cell recordings were done using gramicidin perforated patch techniques to maintain endogenous Cl- levels. Membrane potentials were corrected for liquid junction potentials. Cone resting potentials were found to average -46 mV. To measure ECl, we applied long depolarizing steps to activate the calcium-activated chloride current (ICl(Ca and then determined the reversal potential for the current component that was inhibited by the Cl- channel blocker, niflumic acid. With this method, ECl was found to average -46 mV. In a complementary approach, we used a Cl-sensitive dye, MEQ, to measure the Cl- flux produced by depolarization with elevated concentrations of K+. The membrane potentials produced by the various high K+ solutions were measured in separate current clamp experiments. Consistent with electrophysiological experiments, MEQ fluorescence measurements indicated that ECl was below -36 mV. Conclusions The results of this study indicate that ECl is close to the dark resting potential. This will minimize the impact of chloride-dependent presynaptic mechanisms in cone terminals involving GABAa receptors, glutamate transporters and ICl(Ca.
Whistler-cyclotron spontaneous fluctuations. A proxy to identify thermal and non-thermal electrons?
Moya, P. S.; López, R. A.; Navarro, R.; Vinas, A. F.; Munoz, V.; Araneda, J. A.; Valdivia, J. A.
2016-12-01
Observed electron velocity distributions in the space plasmas exhibit a variety of non-thermal features which deviate from thermal equilibrium, in the form of temperature anisotropies, suprathermal tails, and field aligned beams. The state close to thermal equilibrium and its departure from it provides a source for spontaneous emissions of electromagnetic fluctuations. For example, the whistler cyclotron waves at electron scales. Here we present a comparative analysis of these fluctuations based upon anisotropic plasma modeled with thermal and non-thermal particle distributions. The analysis presented here considers the second-order theory of fluctuations and the dispersion relation of weakly transverse fluctuations, with wave vectors parallel to the uniform background magnetic field, in a finite temperature isotropic magnetized electron-proton plasma modeled with bi-Maxwellian and kappa-like distributions. Dispersion analysis and stability thresholds are derived for these non-thermal distributions and compared with similar results obtained from PIC simulations using plasma and field parameters relevant to space nearly collisionless environments. Our results indicate that there is a strong dependence between the shape of the velocity distribution function and the spontaneous magnetic fluctuations wave spectrum. This feature may be used proxy to identify the nature of electron populations in space plasmas when high resolution particle instruments are not available.
Thermal Hardware for the Thermal Analyst
Steinfeld, David
2015-01-01
The presentation will be given at the 26th Annual Thermal Fluids Analysis Workshop (TFAWS 2015) hosted by the Goddard Space Flight Center (GSFC) Thermal Engineering Branch (Code 545). NCTS 21070-1. Most Thermal analysts do not have a good background into the hardware which thermally controls the spacecraft they design. SINDA and Thermal Desktop models are nice, but knowing how this applies to the actual thermal hardware (heaters, thermostats, thermistors, MLI blanketing, optical coatings, etc...) is just as important. The course will delve into the thermal hardware and their application techniques on actual spacecraft. Knowledge of how thermal hardware is used and applied will make a thermal analyst a better engineer.
Simulation and comparison of equilibrium and nonequilibrium stage ...
African Journals Online (AJOL)
In the present study, two distinctly different approaches are followed for modelling of reactive distillation column, the equilibrium stage model and the nonequilibrium stage model. These models are simulated with a computer code developed in the present study using MATLAB programming. In the equilibrium stage models, ...
Hardy–Weinberg Equilibrium and the Foundations of Evolutionary ...
Indian Academy of Sciences (India)
RESONANCE │ February 2011. SERIES │ ARTICLE. Hardy–Weinberg Equilibrium and the Foundations of. Evolutionary Genetics. 3. Incorporating Mutation and Migration. Amitabh Joshi. Keywords. Mutation, migration, gene flow, equilibrium, dynamics. Previous parts: Resonance, Vol.13: Part 1. The Dance of the Genes,.
Social security as Markov equilibrium in OLG models: A note
DEFF Research Database (Denmark)
Gonzalez Eiras, Martin
2011-01-01
I refine and extend the Markov perfect equilibrium of the social security policy game in Forni (2005) for the special case of logarithmic utility. Under the restriction that the policy function be continuous, instead of differentiable, the equilibrium is globally well defined and its dynamics...
Location of collinear equilibrium points in the generalised ...
African Journals Online (AJOL)
user
the equations of motion in the generalised photogravitational elliptic restricted three body problem. .... For collinear equilibrium points lying on the line joining the primaries i.e. on ξ -axis, we have from equation (2) ..... On the stability of positions of equilibrium of a Hamiltonian system of ordinary differential equations in the.
Evolution of equilibrium pickering emulsions: a matter of time scales
Kraft, D.J.|info:eu-repo/dai/nl/304824291; Luigjes, B.|info:eu-repo/dai/nl/31412330X; de Folter, J.W.J.|info:eu-repo/dai/nl/325787662; Philipse, A.P.|info:eu-repo/dai/nl/073532894; Kegel, W.K.|info:eu-repo/dai/nl/113729464
2010-01-01
A new class of equilibrium solid-stabilized oil-in-water emulsions harbors a competition of two processes on disparate time scales that affect the equilibrium droplet size in opposing ways. The aim of this work is to elucidate the molecular origins of these two time scales and demonstrate their
Non-equilibrium phase transitions in complex plasma
Sutterlin, K. R.; Wysocki, A.; Rath, C.; Ivlev, A. V.; Thomas, H. M.; Khrapak, S.; Zhdanov, S.; Rubin-Zuzic, M.; W. J. Goedheer,; Fortov, V. E.; Lipaev, A. M.; Molotkov, V. I.; Petrov, O. F.; Morfill, G. E.; Lowen, H.
2010-01-01
Complex plasma being the 'plasma state of soft matter' is especially suitable for investigations of non-equilibrium phase transitions. Non-equilibrium phase transitions can manifest in dissipative structures or self-organization. Two specific examples are lane formation and phase
Description of the General Equilibrium Model of Ecosystem Services (GEMES)
Travis Warziniack; David Finnoff; Jenny Apriesnig
2017-01-01
This paper serves as documentation for the General Equilibrium Model of Ecosystem Services (GEMES). GEMES is a regional computable general equilibrium model that is composed of values derived from natural capital and ecosystem services. It models households, producing sectors, and governments, linked to one another through commodity and factor markets. GEMES was...
Strong Duality and Optimality Conditions for Generalized Equilibrium Problems
Directory of Open Access Journals (Sweden)
D. H. Fang
2013-01-01
Full Text Available We consider a generalized equilibrium problem involving DC functions. By using the properties of the epigraph of the conjugate functions, some sufficient and/or necessary conditions for the weak and strong duality results and optimality conditions for generalized equilibrium problems are provided.
Conceptual Integration of Chemical Equilibrium by Prospective Physical Sciences Teachers
Ganaras, Kostas; Dumon, Alain; Larcher, Claudine
2008-01-01
This article describes an empirical study concerning the mastering of the chemical equilibrium concept by prospective physical sciences teachers. The main objective was to check whether the concept of chemical equilibrium had become an integrating and unifying concept for them, that is to say an operational and functional knowledge to explain and…
Analysis of sedimentation equilibrium distributions reflecting nonideal macromolecular associations.
Wills, Peter R.; Jacobsen, Michael P.; Winzor, Donald J.
2000-01-01
A rigorous statistical-mechanical approach is adopted to derive general quantitative expressions that allow for the effects of thermodynamic nonideality in equilibrium measurements reflecting interaction between dissimilar macromolecular reactants. An analytical procedure based on these expressions is then formulated for obtaining global estimates of equilibrium constants and the corresponding reference thermodynamic activities of the free reactants in each of several sedimentation equilibriu...
Some recent developments in non-equilibrium statistical physics
Indian Academy of Sciences (India)
We first recall the laws of classical thermodynamics and the fundamental principles of statistical mechanics and emphasize the fact that the fluctuations of a system in macroscopic equilibrium, such as Brownian motion, can be explained by statistical mechanics and not by thermodynamics. In the vicinity of equilibrium, the ...
Equilibrium approach in the derivation of differential equations for ...
African Journals Online (AJOL)
In this paper, the differential equations of Mindlin plates are derived from basic principles by simultaneous satisfaction of the differential equations of equilibrium, the stress-strain laws and the strain-displacement relations for isotropic, homogenous linear elastic materials. Equilibrium method was adopted in the derivation.
Software Product "Equilibrium" for Preparation and Analysis of Aquatic Solutions
Bontchev, G D; Ivanov, P I; Maslov, O D; Milanov, M V; Dmitriev, S N
2003-01-01
Software product "Equilibrium" for preparation and analysis of aquatic solutions is developed. The program allows determining analytical parameters of a solution, such as ionic force and pH. "Equilibrium" is able to calculate the ratio of existing ion forms in the solution, with respect to the hydrolysis and complexation in the presence of one or more ligands.
Parameter Estimation for a Computable General Equilibrium Model
DEFF Research Database (Denmark)
Arndt, Channing; Robinson, Sherman; Tarp, Finn
We introduce a maximum entropy approach to parameter estimation for computable general equilibrium (CGE) models. The approach applies information theory to estimating a system of nonlinear simultaneous equations. It has a number of advantages. First, it imposes all general equilibrium constraints...
Parameter Estimation for a Computable General Equilibrium Model
DEFF Research Database (Denmark)
Arndt, Channing; Robinson, Sherman; Tarp, Finn
2002-01-01
We introduce a maximum entropy approach to parameter estimation for computable general equilibrium (CGE) models. The approach applies information theory to estimating a system of non-linear simultaneous equations. It has a number of advantages. First, it imposes all general equilibrium constraints...
Integrated equilibrium in a Heckscher-Ohlin-Ricardo model
K T Soo
2005-01-01
This paper shows that, unlike in the Heckscher-Ohlin model, the integrated equilibrium in the Davis (1995) Heckscher-Ohlin-Ricardo model depends crucially on demand patterns. The area defining the integrated equilibrium is smaller, the greater is the weight placed by consumers on the good that has different technologies across countries.
General Equilibrium in a Nutshell: An Explicit Function Example.
Yunker, James A.
1998-01-01
Describes a general equilibrium model that fills the gap between the general function models described in price-theory textbooks and the numerical practice of general equilibrium analysis used in contemporary policy assessment. This model uses explicit mathematical forms but general parameter values. Includes graphs and statistical tables. (MJP)
Using Analogies to Prevent Misconceptions about Chemical Equilibrium
Sahin Pekmez, Esin
2010-01-01
The main purpose of this study was to find the effectiveness of using analogies to prevent misconceptions about chemical equilibrium. Nineteen analogies, which were based on dynamic aspects of chemical equilibrium and application of Le Chatelier's principle, were developed. The participations of this study consisted of 11th grade students (n: 151)…
Using a Spreadsheet Scroll Bar to Solve Equilibrium Concentrations
Raviolo, Andres
2012-01-01
A simple, conceptual method is described for using the spreadsheet scroll bar to find the composition of a system at chemical equilibrium. Simulation of any kind of chemical equilibrium can be carried out using this method, and the effects of different disturbances can be predicted. This simulation, which can be used in general chemistry…
Understanding Chemical Reaction Kinetics and Equilibrium with Interlocking Building Blocks
Cloonan, Carrie A.; Nichol, Carolyn A.; Hutchinson, John S.
2011-01-01
Chemical reaction kinetics and equilibrium are essential core concepts of chemistry but are challenging topics for many students, both at the high school and undergraduate university level. Visualization at the molecular level is valuable to aid understanding of reaction kinetics and equilibrium. This activity provides a discovery-based method to…
thermodynamics of ion exchange equilibrium for some uni
African Journals Online (AJOL)
a
equilibrium constant K was calculated by taking into account the activity coefficient of ions both in solution as well as in the resin phase. For uni-univalent ion exchange reaction systems, the equilibrium constant K' were also calculated by considering mole fraction of ions in the resin phase. The K values calculated for ...
Plasma equilibrium calculation in J-TEXT tokamak
Hailong, GAO; Tao, XU; Zhongyong, CHEN; Ge, ZHUANG
2017-11-01
Plasma equilibrium has been calculated using an analytical method. The plasma profiles of the current density, safety factor, pressure and magnetic surface function are obtained. The analytical solution of the Grad-Shafranov (GS) equation is obtained by the variable separation method and compared with the computed results of the equilibrium fitting code EFIT.
Non-equilibrium radiation nuclear reactor
Thom, K.; Schneider, R. T. (Inventor)
1978-01-01
An externally moderated thermal nuclear reactor is disclosed which is designed to provide output power in the form of electromagnetic radiation. The reactor is a gaseous fueled nuclear cavity reactor device which can operate over wide ranges of temperature and pressure, and which includes the capability of processing and recycling waste products such as long-lived transuranium actinides. The primary output of the device may be in the form of coherent radiation, so that the reactor may be utilized as a self-critical nuclear pumped laser.
A method for high accuracy determination of equilibrium relative humidity
DEFF Research Database (Denmark)
Jensen, O.M.
2012-01-01
This paper treats a new method for measuring equilibrium relative humidity and equilibrium dew-point temperature of a material sample. The developed measuring device is described – a Dew-point Meter – which by means of so-called Dynamic Dew-point Analysis permits quick and very accurate determina......This paper treats a new method for measuring equilibrium relative humidity and equilibrium dew-point temperature of a material sample. The developed measuring device is described – a Dew-point Meter – which by means of so-called Dynamic Dew-point Analysis permits quick and very accurate...... determination of the equilibrium relative humidity. Potentially, the method can also be used for measuring air relative humidity....
Mapping Isobaric Aging onto the Equilibrium Phase Diagram.
Niss, Kristine
2017-09-15
The linear volume relaxation and the nonlinear volume aging of a glass-forming liquid are measured, directly compared, and used to extract the out-of-equilibrium relaxation time. This opens a window to investigate how the relaxation time depends on temperature, structure, and volume in parts of phase space that are not accessed by the equilibrium liquid. It is found that the temperature dependence of relaxation time is non-Arrhenius even in the isostructural case-challenging the Adam-Gibbs entropy model. Based on the presented data and the idea that aging happens through quasiequilibrium states, we suggest a mapping of the out-of-equilibrium states during isobaric aging to the equilibrium phase diagram. This mapping implies the existence of isostructural lines in the equilibrium phase diagram. The relaxation time is found to depend on the bath temperature, density, and a just single structural parameter, referred to as an effective temperature.
Non-Equilibrium Thermodynamics of Self-Replicating Protocells
DEFF Research Database (Denmark)
Fellermann, Harold; Corominas-Murtra, Bernat; Hansen, Per Lyngs
2017-01-01
We provide a non-equilibrium thermodynamic description of the life-cycle of a droplet based, chemically feasible, system of protocells. By coupling the protocells metabolic kinetics with its thermodynamics, we demonstrate how the system can be driven out of equilibrium to ensure protocell growth...... and replication. This coupling allows us to derive the equations of evolution and to rigorously demonstrate how growth and replication life-cycle can be understood as a non-equilibrium thermodynamic cycle. The process does not appeal to genetic information or inheritance, and is based only on non......-equilibrium physics considerations. Our non-equilibrium thermodynamic description of simple, yet realistic, processes of protocell growth and replication, represents an advance in our physical understanding of a central biological phenomenon both in connection to the origin of life and for modern biology....
Directory of Open Access Journals (Sweden)
Ola I. El-Shafey
2014-01-01
Full Text Available Thermally activated, acid-activated, and acid-leached of thermally activated kaolinites were prepared from the Egyptian ore. The physical and chemical properties were studied using N2 sorption at −196°C, FTIR, SEM, and the total surface acidity. The sorption of NH4+ ions on the investigated sorbents was controlled with the solution pH, sorbent dosage, and initial concentration of NH4+ solution. Kinetic and equilibrium NH4+ sorption at 30°C were employed. Four kinetic models were applied to the kinetic sorption data; pseudo-second-order, Elovich, and intraparticle diffusion models fitted well the kinetic data whereas pseudo-first-order model was less applicable. Elovich parameters refer to physical sorption type of NH4+ on nonuniform sites and the intraparticle diffusion controls the sorption of NH4+ by kaolinites to a small extent. The equilibrium sorption data followed Langmuir and D-R models; the negative value of ΔG indicates a spontaneous sorption and the mean sorption energy obtained shows also physical sorption. The sorption capacities of nonactivated and activated Egyptian kaolinites towards NH4+ sorption (10.87–45.45 mg·g−1 were good sorbents as compared with those uptaken by other clays reported in the literature and proved to be more active besides being less expensive and highly available.
A metastable equilibrium model for the relative abundances of microbial phyla in a hot spring.
Directory of Open Access Journals (Sweden)
Jeffrey M Dick
Full Text Available Many studies link the compositions of microbial communities to their environments, but the energetics of organism-specific biomass synthesis as a function of geochemical variables have rarely been assessed. We describe a thermodynamic model that integrates geochemical and metagenomic data for biofilms sampled at five sites along a thermal and chemical gradient in the outflow channel of the hot spring known as "Bison Pool" in Yellowstone National Park. The relative abundances of major phyla in individual communities sampled along the outflow channel are modeled by computing metastable equilibrium among model proteins with amino acid compositions derived from metagenomic sequences. Geochemical conditions are represented by temperature and activities of basis species, including pH and oxidation-reduction potential quantified as the activity of dissolved hydrogen. By adjusting the activity of hydrogen, the model can be tuned to closely approximate the relative abundances of the phyla observed in the community profiles generated from BLAST assignments. The findings reveal an inverse relationship between the energy demand to form the proteins at equal thermodynamic activities and the abundance of phyla in the community. The distance from metastable equilibrium of the communities, assessed using an equation derived from energetic considerations that is also consistent with the information-theoretic entropy change, decreases along the outflow channel. Specific divergences from metastable equilibrium, such as an underprediction of the relative abundances of phototrophic organisms at lower temperatures, can be explained by considering additional sources of energy and/or differences in growth efficiency. Although the metabolisms used by many members of these communities are driven by chemical disequilibria, the results support the possibility that higher-level patterns of chemotrophic microbial ecosystems are shaped by metastable equilibrium states that
A Metastable Equilibrium Model for the Relative Abundances of Microbial Phyla in a Hot Spring
Dick, Jeffrey M.; Shock, Everett L.
2013-01-01
Many studies link the compositions of microbial communities to their environments, but the energetics of organism-specific biomass synthesis as a function of geochemical variables have rarely been assessed. We describe a thermodynamic model that integrates geochemical and metagenomic data for biofilms sampled at five sites along a thermal and chemical gradient in the outflow channel of the hot spring known as “Bison Pool” in Yellowstone National Park. The relative abundances of major phyla in individual communities sampled along the outflow channel are modeled by computing metastable equilibrium among model proteins with amino acid compositions derived from metagenomic sequences. Geochemical conditions are represented by temperature and activities of basis species, including pH and oxidation-reduction potential quantified as the activity of dissolved hydrogen. By adjusting the activity of hydrogen, the model can be tuned to closely approximate the relative abundances of the phyla observed in the community profiles generated from BLAST assignments. The findings reveal an inverse relationship between the energy demand to form the proteins at equal thermodynamic activities and the abundance of phyla in the community. The distance from metastable equilibrium of the communities, assessed using an equation derived from energetic considerations that is also consistent with the information-theoretic entropy change, decreases along the outflow channel. Specific divergences from metastable equilibrium, such as an underprediction of the relative abundances of phototrophic organisms at lower temperatures, can be explained by considering additional sources of energy and/or differences in growth efficiency. Although the metabolisms used by many members of these communities are driven by chemical disequilibria, the results support the possibility that higher-level patterns of chemotrophic microbial ecosystems are shaped by metastable equilibrium states that depend on both the
Internal Dynamics of Equilibrium Colloidal Clusters
Perry, Rebecca Wood
Colloidal clusters, aggregates of a few micrometer-sized spherical particles, are a model experimental system for understanding the physics of self-assembly and processes such as nucleation. Colloidal clusters are well suited for studies on these topics because they are the simplest colloidal system with internal degrees of freedom. Clusters made from particles that weakly attract one another continually rearrange between different structures. By characterizing these internal dynamics and the structures connected by the rearrangement pathways, we seek to understand the statistical physics underlying self-assembly and equilibration. In this thesis, we examine the rearrangement dynamics of colloidal clusters and analyze the equilibrium distributions of ground and excited states. We prepare clusters of up to ten microspheres bound by short-range depletion interactions that are tuned to allow equilibration between multiple isostatic arrangements. To study these clusters, we use bright-field and digital holographic microscopy paired with computational post-processing to amass ensemble-averaged and time-averaged probabilities. We study both two-dimensional (2D) and three-dimensional (3D) clusters composed of either one or two species of particles. To learn about geometrical nucleation barriers, we track rearrangements of particles within freely rotating and translating 3D clusters. We show that rearrangements occur on a timescale of seconds, consistent with diffusion-dominated internal dynamics. To better understand excited states and transition pathways, we track hundreds of rearrangements between degenerate ground states in 2D clusters. We show that the rearrangement rates can be understood using a model with two parameters, which account for the diffusion coefficient along the excited-state rearrangement pathways and the interaction potential. To explore new methods to control self-assembly, we analyze clusters of two species with different masses and different
1997-01-01
Gateway Technologies, Inc. is marketing and developing textile insulation technology originally developed by Triangle Research and Development Corporation. The enhanced thermal insulation stems from Small Business Innovation Research contracts from NASA's Johnson Space Center and the U.S. Air Force. The effectiveness of the insulation comes from the microencapsulated phase-change materials originally made to keep astronauts gloved hands warm. The applications for the product range from outer wear, housing insulation, and blankets to protective firefighting gear and scuba diving suits. Gateway has developed and begun marketing thermal regulating products under the trademark, OUTLAST. Products made from OUTLAST are already on the market, including boot and shoe liners, winter headgear, hats and caps for hunting and other outdoor sports, and a variety of men's and women's ski gloves.
Micha, Raphael; Micha, Raphael; Tkachev, Igor I.
2004-01-01
We study, analytically and with lattice simulations, the decay of coherent field oscillations and the subsequent thermalization of the resulting stochastic classical wave-field. The problem of reheating of the Universe after inflation constitutes our prime motivation and application of the results. We identify three different stages of these processes. During the initial stage of ``parametric resonance'', only a small fraction of the initial inflaton energy is transferred to fluctuations in the physically relevant case of sufficiently large couplings. A major fraction is transfered in the prompt regime of driven turbulence. The subsequent long stage of thermalization classifies as free turbulence. During the turbulent stages, the evolution of particle distribution functions is self-similar. We show that wave kinetic theory successfully describes the late stages of our lattice calculation. Our analytical results are general and give estimates of reheating time and temperature in terms of coupling constants and...
Aureli, Matteo; Doumanidis, Constantine C.; Gunduz, I. E.; Hussien, Aseel Gamal Suliman; Liao, Yiliang; Jaffar, Syed Murtaza; Rebholz, Claus; Doumanidis, Charalabos C.
2017-07-01
Nanostructured bimetallic reactive multilayers can be conveniently produced by ball milling of elemental powders. This research explores the non-equilibrium microscale conductive thermal transport in ball-milled particulate fractal structures during fabrication, arising from heat dissipation by bulk plastic deformation and surface friction. Upon impactor collisions, temperature increments are determined at interface joints and domain volumes using Green's functions, mirrored by source images with respect to warped ellipsoid domain boundaries. Heat source efficiency is calibrated via laboratory data to compensate for thermal expansion and impactor inelasticity, and the thermal analysis is coupled to a dynamic mechanics model of the particulate fracture. This thermomechanical model shows good agreement with the fractal dimensions of the observed microstructure from ball milling experiments. The model is intended to provide a comprehensive physical understanding of the fundamental process mechanism. In addition, the model could serve as a real-time thermal observer for closed-loop process control, as well as for interfacial diffusion and reaction analysis during ball milling.
Directory of Open Access Journals (Sweden)
A. A. Dorofeev
2016-01-01
Full Text Available The paper studies the emerging hallmarks and the characteristics of a two-parameter chemical non-equilibrium structure of the combustion products of liquid propellants as applied to the low-thrust liquid propellant engines (LT LPE operating in the aircraft control system. The study is based on hydrazine and nitrogen tetroxide products. The paper also analyses the catalytic and thermal decomposition of these substances in terms of inter-conditionality of the working process components in the combustion chamber and liquid pre-burner. The paper offers a technique to simulate these types of non-equilibrium as applied both to the a priori estimate and to the parametric optimization of LT LPE performance. It presents the possible equations of chemical dissociation reactions of hydrazine under various conditions, which determine a chemical disequilibrium of the process, and gives the examples to specify the source files for the software systems "Astra 4.rs" or "Terra".The technique is implemented and tested on the basis of the software systems "Astra4.rs" and "Terra" in calculating the structure and properties of the liquid propellant combustion products, which include hydrazine, combustion products, ammonia, and products of their catalytic thermal decomposition. The paper provides numerical values of the upper and lower concentration limits of the non-equilibrium of a generated propellant, which correspond to the equilibrium ratio of concentrations between ammonia and products of its decomposition, as well as meet the absence of ammonia pyrolysis. For possible conditions of the non-equilibrium work process the values of void specific impulse are calculated.
Energy Technology Data Exchange (ETDEWEB)
Chen, J.; Zhuang, G., E-mail: ge-zhuang@hust.edu.cn; Jian, X.; Li, Q.; Liu, Y.; Gao, L.; Wang, Z. J. [State Key Laboratory of Advanced Electromagnetic Engineering and Technology, Huazhong University of Science and Technology, Wuhan 430074 (China)
2014-10-15
Evaluation and reconstruction of plasma equilibrium, especially to resolve the safety factor profile, is imperative for advanced tokamak operation and physics study. Based on core magnetic measurement by the high resolution laser polarimeter-interferometer system (POLARIS), the equilibrium of Joint-TEXT (J-TEXT) plasma is reconstructed and profiles of safety factor, current density, and electron density are, therefore, obtained with high accuracy and temporal resolution. The equilibrium reconstruction procedure determines the equilibrium flux surfaces essentially from the data of POLARIS. Refraction of laser probe beam, a major error source of the reconstruction, has been considered and corrected, which leads to improvement of accuracy more than 10%. The error of reconstruction has been systematically assessed with consideration of realistic diagnostic performance and scrape-off layer region of plasma, and its accuracy has been verified. Fast equilibrium transitions both within a single sawtooth cycle and during the penetration of resonant magnetic perturbation have been investigated.
Nagarajan, Ramanathan
2015-07-01
Micelles generated in water from most amphiphilic block copolymers are widely recognized to be non-equilibrium structures. Typically, the micelles are prepared by a kinetic process, first allowing molecular scale dissolution of the block copolymer in a common solvent that likes both the blocks and then gradually replacing the common solvent by water to promote the hydrophobic blocks to aggregate and create the micelles. The non-equilibrium nature of the micelle originates from the fact that dynamic exchange between the block copolymer molecules in the micelle and the singly dispersed block copolymer molecules in water is suppressed, because of the glassy nature of the core forming polymer block and/or its very large hydrophobicity. Although most amphiphilic block copolymers generate such non-equilibrium micelles, no theoretical approach to a priori predict the micelle characteristics currently exists. In this work, we propose a predictive approach for non-equilibrium micelles with glassy cores by applying the equilibrium theory of micelles in two steps. In the first, we calculate the properties of micelles formed in the mixed solvent while true equilibrium prevails, until the micelle core becomes glassy. In the second step, we freeze the micelle aggregation number at this glassy state and calculate the corona dimension from the equilibrium theory of micelles. The condition when the micelle core becomes glassy is independently determined from a statistical thermodynamic treatment of diluent effect on polymer glass transition temperature. The predictions based on this "non-equilibrium" model compare reasonably well with experimental data for polystyrene-polyethylene oxide diblock copolymer, which is the most extensively studied system in the literature. In contrast, the application of the equilibrium model to describe such a system significantly overpredicts the micelle core and corona dimensions and the aggregation number. The non-equilibrium model suggests ways to
Transport of thermal water from well to thermal baths
Montegrossi, Giordano; Vaselli, Orlando; Tassi, Franco; Nocentini, Matteo; Liccioli, Caterina; Nisi, Barbara
2013-04-01
The main problem in building a thermal bath is having a hot spring or a thermal well located in an appropriate position for customer access; since Roman age, thermal baths were distributed in the whole empire and often road and cities were built all around afterwards. Nowadays, the perspectives are changed and occasionally the thermal resource is required to be transported with a pipeline system from the main source to the spa. Nevertheless, the geothermal fluid may show problems of corrosion and scaling during transport. In the Ambra valley, central Italy, a geothermal well has recently been drilled and it discharges a Ca(Mg)-SO4, CO2-rich water at the temperature of 41 °C, that could be used for supplying a new spa in the surrounding areas of the well itself. The main problem is that the producing well is located in a forest tree ca. 4 km far away from the nearest structure suitable to host the thermal bath. In this study, we illustrate the pipeline design from the producing well to the spa, constraining the physical and geochemical parameters to reduce scaling and corrosion phenomena. The starting point is the thermal well that has a flow rate ranging from 22 up to 25 L/sec. The thermal fluid is heavily precipitating calcite (50-100 ton/month) due to the calcite-CO2 equilibrium in the reservoir, where a partial pressure of 11 bar of CO2 is present. One of the most vexing problems in investigating scaling processed during the fluid transport in the pipeline is that there is not a proper software package for multiphase fluid flow in pipes characterized by such a complex chemistry. As a consequence, we used a modified TOUGHREACT with Pitzer database, arranged to use Darcy-Weisbach equation, and applying "fictitious" material properties in order to give the proper y- z- velocity profile in comparison to the analytical solution for laminar fluid flow in pipes. This investigation gave as a result the lowest CO2 partial pressure to be kept in the pipeline (nearly 2
Landscape and flux theory of non-equilibrium open economy
Zhang, Kun; Wang, Jin
2017-09-01
The economy is open and never in true equilibrium due to the exchanges with outside. However, most of the quantitative studies have been focused on the equilibrium economy. Despite of the recent efforts, it is still challenging to formulate a quantitative theory for uncovering the principles of non-equilibrium open economy. In this study, we developed a landscape and flux theory for non-equilibrium economy. We quantified the states of economy and identify the multi-stable states as the basins of attractions on the underlying landscape. We found the global driving force of the non-equilibrium economy is determined by both the underlying landscape gradient and the curl probability flux measuring the degree of non-equilibriumness through the detailed balance breaking. The non-equilibrium thermodynamics, the global stability, the optimal path and speed of the non-equilibrium economy can be formulated and quantified. In the conventional economy, the supply and demand usually has only one equilibrium. By considering nonlinear supply-demand dynamics, we found that both bi-stable states and limit cycle oscillations can emerge. By shifting the slope of demand curve, we can see how the bi-stability transforms to the limit cycle dynamics and vice versa. By parallel shifting the demand curve, we can also see how the monopoly, the competition, and the bistable monopoly and competition states emerge and transform to one other. We can also see how the mono-stable monopoly, the limit cycle and the mono-stable competition states emerge and transform to one another.
Gauge/gravity duality. From quantum phase transitions towards out-of-equilibrium physics
Energy Technology Data Exchange (ETDEWEB)
Ngo Thanh, Hai
2011-05-02
In this dissertation we use gauge/gravity duality to investigate various phenomena of strongly coupled field theories. Of special interest are quantum phase transitions, quantum critical points, transport phenomena of charges and the thermalization process of strongly coupled medium. The systems studied in this thesis might be used as models for describing condensed matter physics in a superfluid phase near the quantum critical point and the physics of quark-gluon plasma (QGP), a deconfinement phase of QCD, which has been recently created at the Relativistic Heavy Ion Collider (RHIC). Moreover, we follow the line of considering different gravity setups whose dual field descriptions show interesting phenomena of systems in thermal equilibrium, slightly out-of-equilibrium and far-from-equilibrium. We first focus on systems in equilibrium and construct holographic superfluids at finite baryon and isospin charge densities. For that we use two different approaches, the bottom-up with an U(2) Einstein-Yang-Mills theory with back-reaction and the top-down approach with a D3/D7 brane setup with two coincident D7-brane probes. In both cases we observe phase transitions from a normal to a superfluid phase at finite and also at zero temperature. In our setup, the gravity duals of superfluids are Anti-de Sitter black holes which develop vector-hair. Studying the order of phase transitions at zero temperature, in the D3/D7 brane setup we always find a second order phase transition, while in the Einstein-Yang-Mills theory, depending on the strength of the back-reaction, we obtain a continuous or first order transition. We then move to systems which are slightly out-of-equilibrium. Using the D3/D7 brane setup with N{sub c} coincident D3-branes and N{sub f} coincident D7-brane probes, we compute transport coefficients associated with massive N=2 supersymmetric hypermultiplet fields propagating through an N=4 SU(N{sub c}) super Yang-Mills plasma in the limit of N{sub f}<
Analysis of the chemical equilibrium of combustion at constant volume
Directory of Open Access Journals (Sweden)
Marius BREBENEL
2014-04-01
Full Text Available Determining the composition of a mixture of combustion gases at a given temperature is based on chemical equilibrium, when the equilibrium constants are calculated on the assumption of constant pressure and temperature. In this paper, an analysis of changes occurring when combustion takes place at constant volume is presented, deriving a specific formula of the equilibrium constant. The simple reaction of carbon combustion in pure oxygen in both cases (constant pressure and constant volume is next considered as example of application, observing the changes occurring in the composition of the combustion gases depending on temperature.