Ising game: Nonequilibrium steady states of resource-allocation systems
Xin, C.; Yang, G.; Huang, J. P.
2017-04-01
Resource-allocation systems are ubiquitous in the human society. But how external fields affect the state of such systems remains poorly explored due to the lack of a suitable model. Because the behavior of spins pursuing energy minimization required by physical laws is similar to that of humans chasing payoff maximization studied in game theory, here we combine the Ising model with the market-directed resource-allocation game, yielding an Ising game. Based on the Ising game, we show theoretical, simulative and experimental evidences for a formula, which offers a clear expression of nonequilibrium steady states (NESSs). Interestingly, the formula also reveals a convertible relationship between the external field (exogenous factor) and resource ratio (endogenous factor), and a class of saturation as the external field exceeds certain limits. This work suggests that the Ising game could be a suitable model for studying external-field effects on resource-allocation systems, and it could provide guidance both for seeking more relations between NESSs and equilibrium states and for regulating human systems by choosing NESSs appropriately.
Standing magnetic wave on Ising ferromagnet: Nonequilibrium phase transition
Energy Technology Data Exchange (ETDEWEB)
Halder, Ajay, E-mail: ajay.rs@presiuniv.ac.in; Acharyya, Muktish, E-mail: muktish.physics@presiuniv.ac.in
2016-12-15
The dynamical response of an Ising ferromagnet to a plane polarised standing magnetic field wave is modelled and studied here by Monte Carlo simulation in two dimensions. The amplitude of standing magnetic wave is modulated along the direction x. We have detected two main dynamical phases namely, pinned and oscillating spin clusters. Depending on the value of field amplitude the system is found to undergo a phase transition from oscillating spin cluster to pinned as the system is cooled down. The time averaged magnetisation over a full cycle of magnetic field oscillations is defined as the dynamic order parameter. The transition is detected by studying the temperature dependences of the variance of the dynamic order parameter, the derivative of the dynamic order parameter and the dynamic specific heat. The dependence of the transition temperature on the magnetic field amplitude and on the wavelength of the magnetic field wave is studied at a single frequency. A comprehensive phase boundary is drawn in the plane described by the temperature and field amplitude for two different wavelengths of the magnetic wave. The variation of instantaneous line magnetisation during a period of magnetic field oscillation for standing wave mode is compared to those for the propagating wave mode. Also the probability that a spin at any site, flips, is calculated. The above mentioned variations and the probability of spin flip clearly distinguish between the dynamical phases formed by propagating magnetic wave and by standing magnetic wave in an Ising ferromagnet. - Highlights: • The Ising ferromagnet. • The system is driven by standing magnetic wave. • The low temperature pinned phase is observed • The high temperature oscillating spin bands are observed • The nonequilibrium phase boundary is drawn.
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.
Dynamical TAP equations for non-equilibrium Ising spin glasses
DEFF Research Database (Denmark)
Roudi, Yasser; Hertz, John
2011-01-01
We derive and study dynamical TAP equations for Ising spin glasses obeying both synchronous and asynchronous dynamics using a generating functional approach. The system can have an asymmetric coupling matrix, and the external fields can be time-dependent. In the synchronously updated model, the TAP...... equations take the form of self consistent equations for magnetizations at time t+1, given the magnetizations at time t. In the asynchronously updated model, the TAP equations determine the time derivatives of the magnetizations at each time, again via self consistent equations, given the current values...... of the magnetizations. Numerical simulations suggest that the TAP equations become exact for large systems....
Kinetic Ising model for desorption from a chain
Geldart, D. J. W.; Kreuzer, H. J.; Rys, Franz S.
1986-10-01
Adsorption along a linear chain of adsorption sites is considered in an Ising model with nearest neighbor interactions. The kinetics are studied in a master equation approach with transition probabilities describing single spin flips to mimic adsorption-desorption processes. Exchange of two spins to account for diffusion can be included as well. Numerical results show that desorption is frequently of fractional (including zero) order. Only at low coverage and high temperature is desorption a first order process. Finite size effects and readsorption are also studied.
Nonequilibrium Statistical Operator Method and Generalized Kinetic Equations
Kuzemsky, A. L.
2018-01-01
We consider some principal problems of nonequilibrium statistical thermodynamics in the framework of the Zubarev nonequilibrium statistical operator approach. We present a brief comparative analysis of some approaches to describing irreversible processes based on the concept of nonequilibrium Gibbs ensembles and their applicability to describing nonequilibrium processes. We discuss the derivation of generalized kinetic equations for a system in a heat bath. We obtain and analyze a damped Schrödinger-type equation for a dynamical system in a heat bath. We study the dynamical behavior of a particle in a medium taking the dissipation effects into account. We consider the scattering problem for neutrons in a nonequilibrium medium and derive a generalized Van Hove formula. We show that the nonequilibrium statistical operator method is an effective, convenient tool for describing irreversible processes in condensed matter.
Thermal contact through a two-temperature kinetic Ising chain
Bauer, M.; Cornu, F.
2018-05-01
We consider a model for thermal contact through a diathermal interface between two macroscopic bodies at different temperatures: an Ising spin chain with nearest neighbor interactions is endowed with a Glauber dynamics with different temperatures and kinetic parameters on alternating sites. The inhomogeneity of the kinetic parameter is a novelty with respect to the model of Racz and Zia (1994 Phys. Rev. E 49 139), and we exhibit its influence upon the stationary non equilibrium values of the two-spin correlations at any distance. By mapping to the dynamics of spin domain walls and using free fermion techniques, we determine the scaled generating function for the cumulants of the exchanged heat amounts per unit of time in the long time limit.
Effective-field theory on the kinetic Ising model
International Nuclear Information System (INIS)
Shi Xiaoling; Wei Guozhu; Li Lin
2008-01-01
As an analytical method, the effective-field theory (EFT) is used to study the dynamical response of the kinetic Ising model in the presence of a sinusoidal oscillating field. The effective-field equations of motion of the average magnetization are given for the square lattice (Z=4) and the simple cubic lattice (Z=6), respectively. The dynamic order parameter, the hysteresis loop area and the dynamic correlation are calculated. In the field amplitude h 0 /ZJ-temperature T/ZJ plane, the phase boundary separating the dynamic ordered and the disordered phase has been drawn, and the dynamical tricritical point has been observed. We also make the compare results of EFT with that given by using the mean field theory (MFT)
DEFF Research Database (Denmark)
Richards, H.L.; Kolesik, M.; Lindgård, P.-A.
1997-01-01
Magnetization switching in highly anisotropic single-domain ferromagnets has been previously shown to be qualitatively described by the droplet theory of metastable decay and simulations of two-dimensional kinetic Ising systems with periodic boundary conditions. In this paper we consider the effe......Magnetization switching in highly anisotropic single-domain ferromagnets has been previously shown to be qualitatively described by the droplet theory of metastable decay and simulations of two-dimensional kinetic Ising systems with periodic boundary conditions. In this paper we consider...... simulations of two-dimensional Ising systems with various system shapes and boundary conditions....
On the Nonequilibrium Interface Kinetics of Rapid Coupled Eutectic Growth
Dong, H.; Chen, Y. Z.; Shan, G. B.; Zhang, Z. R.; Liu, F.
2017-08-01
Nonequilibrium interface kinetics (NEIK) is expected to play an important role in coupled growth of eutectic alloys, when solidification velocity is high and intermetallic compound or topologically complex phases form in the crystallized product. In order to quantitatively evaluate the effect of NEIK on the rapid coupled eutectic growth, in this work, two nonequilibrium interface kinetic effects, i.e., atom attachment and solute trapping at the solid-liquid interface, were incorporated into the analyses of the coupled eutectic growth under the rapid solidification condition. First, a coupled growth model incorporating the preceding two nonequilibrium kinetic effects was derived. On this basis, an expression of kinetic undercooling (Δ T k), which is used to characterize the NEIK, was defined. The calculations based on the as-derived couple growth model show good agreement with the reported experimental results achieved in rapidly solidified eutectic Al-Sm alloys consisting of a solid solution phase ( α-Al) and an intermetallic compound phase (Al11Sm3). In terms of the definition of Δ T k defined in this work, the role of NEIK in the coupled growth of the Al-Sm eutectic system was analyzed. The results show that with increasing the coupled growth velocity, Δ T k increases continuously, and its ratio to the total undercooling reaches 0.32 at the maximum growth velocity for coupled eutectic growth. Parametric analyses on two key alloy parameters that influence Δ T k, i.e., interface kinetic parameter ( μ i ) and solute distribution coefficient ( k e ), indicate that both μ i and k e influence the NEIK significantly and the decrease of either these two parameters enhances the NEIK effect.
Lifshitz-Allen-Cahn domain-growth kinetics of Ising models with conserved density
DEFF Research Database (Denmark)
Fogedby, Hans C.; Mouritsen, Ole G.
1988-01-01
The domain-growth kinetics of p=fourfold degenerate (2×1) ordering in two-dimensional Ising models with conserved density is studied as a function of temperature and range of Kawasaki spin exchange. It is found by computer simulations that the zero-temperature freezing-in behavior for nearest...
DEFF Research Database (Denmark)
Richards, H.L.; Rikvold, P.A.
1996-01-01
particularly promising as materials for high-density magnetic recording media. In this paper we use analytic arguments and Monte Carlo simulations to quantitatively study the effects of the demagnetizing field on the dynamics of magnetization switching in two-dimensional, single-domain, kinetic Ising systems...
Eu, Byung Chan
2016-01-01
This book presents the fundamentals of irreversible thermodynamics for nonlinear transport processes in gases and liquids, as well as for generalized hydrodynamics extending the classical hydrodynamics of Navier, Stokes, Fourier, and Fick. Together with its companion volume on relativistic theories, it provides a comprehensive picture of the kinetic theory formulated from the viewpoint of nonequilibrium ensembles in both nonrelativistic and, in Vol. 2, relativistic contexts. Theories of macroscopic irreversible processes must strictly conform to the thermodynamic laws at every step and in all approximations that enter their derivation from the mechanical principles. Upholding this as the inviolable tenet, the author develops theories of irreversible transport processes in fluids (gases or liquids) on the basis of irreversible kinetic equations satisfying the H theorem. They apply regardless of whether the processes are near to or far removed from equilibrium, or whether they are linear or nonlinear with respe...
Nonequilibrium sensing and its analogy to kinetic proofreading
Hartich, David; Barato, Andre C.; Seifert, Udo
2015-05-01
For a paradigmatic model of chemotaxis, we analyze the effect of how a nonzero affinity driving receptors out of equilibrium affects sensitivity. This affinity arises whenever changes in receptor activity involve adenosine triphosphate hydrolysis. The sensitivity integrated over a ligand concentration range is shown to be enhanced by the affinity, providing a measure of how much energy consumption improves sensing. With this integrated sensitivity we can establish an intriguing analogy between sensing with nonequilibrium receptors and kinetic proofreading: the increase in integrated sensitivity is equivalent to the decrease of the error in kinetic proofreading. The influence of the occupancy of the receptor on the phosphorylation and dephosphorylation reaction rates is shown to be crucial for the relation between integrated sensitivity and affinity. This influence can even lead to a regime where a nonzero affinity decreases the integrated sensitivity, which corresponds to anti-proofreading.
International Nuclear Information System (INIS)
Keskin, Mustafa; Polat, Yasin
2009-01-01
The phase diagrams of the nonequilibrium mixed spin-3/2 and spin-2 Ising ferrimagnetic system on square lattice under a time-dependent external magnetic field are presented by using the Glauber-type stochastic dynamics. The model system consists of two interpenetrating sublattices of spins σ=3/2 and S=2, and we take only nearest-neighbor interactions between pairs of spins. The system is in contact with a heat bath at absolute temperature T abs and the exchange of energy with the heat bath occurs via one-spin flip of the Glauber dynamics. First, we investigate the time variations of average order parameters to find the phases in the system and then the thermal behavior of the dynamic order parameters to obtain the dynamic phase transition (DPT) points as well as to characterize the nature (first- or second-order) phase transitions. The dynamic phase diagrams are presented in two different planes. Phase diagrams contain paramagnetic (p), ferrimagnetic (i 1 , i 2 , i 3 ) phases, and three coexistence or mixed phase regions, namely i 1 +p, i 2 +p and i 3 +p mixed phases that strongly depend on interaction parameters.
Energy Technology Data Exchange (ETDEWEB)
Keskin, Mustafa [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)], E-mail: keskin@erciyes.edu.tr; Polat, Yasin [Institutes of Science, Erciyes University, 38039 Kayseri (Turkey)
2009-12-15
The phase diagrams of the nonequilibrium mixed spin-3/2 and spin-2 Ising ferrimagnetic system on square lattice under a time-dependent external magnetic field are presented by using the Glauber-type stochastic dynamics. The model system consists of two interpenetrating sublattices of spins {sigma}=3/2 and S=2, and we take only nearest-neighbor interactions between pairs of spins. The system is in contact with a heat bath at absolute temperature T{sub abs} and the exchange of energy with the heat bath occurs via one-spin flip of the Glauber dynamics. First, we investigate the time variations of average order parameters to find the phases in the system and then the thermal behavior of the dynamic order parameters to obtain the dynamic phase transition (DPT) points as well as to characterize the nature (first- or second-order) phase transitions. The dynamic phase diagrams are presented in two different planes. Phase diagrams contain paramagnetic (p), ferrimagnetic (i{sub 1}, i{sub 2}, i{sub 3}) phases, and three coexistence or mixed phase regions, namely i{sub 1}+p, i{sub 2}+p and i{sub 3}+p mixed phases that strongly depend on interaction parameters.
Heyl, Markus; Vojta, Matthias
2015-09-01
In this work we formulate the nonequilibrium dynamical renormalization group (ndRG). The ndRG represents a general renormalization-group scheme for the analytical description of the real-time dynamics of complex quantum many-body systems. In particular, the ndRG incorporates time as an additional scale which turns out to be important for the description of the long-time dynamics. It can be applied to both translational-invariant and disordered systems. As a concrete application, we study the real-time dynamics after a quench between two quantum critical points of different universality classes. We achieve this by switching on weak disorder in a one-dimensional transverse-field Ising model initially prepared at its clean quantum critical point. By comparing to numerically exact simulations for large systems, we show that the ndRG is capable of analytically capturing the full crossover from weak to infinite randomness. We analytically study signatures of localization in both real space and Fock space.
International Nuclear Information System (INIS)
Bachschmid-Romano, Ludovica; Opper, Manfred
2015-01-01
We study analytically the performance of a recently proposed algorithm for learning the couplings of a random asymmetric kinetic Ising model from finite length trajectories of the spin dynamics. Our analysis shows the importance of the nontrivial equal time correlations between spins induced by the dynamics for the speed of learning. These correlations become more important as the spin’s stochasticity is decreased. We also analyse the deviation of the estimation error (paper)
Nonequilibrium statistical field theory for classical particles: Basic kinetic theory.
Viermann, Celia; Fabis, Felix; Kozlikin, Elena; Lilow, Robert; Bartelmann, Matthias
2015-06-01
Recently Mazenko and Das and Mazenko [Phys. Rev. E 81, 061102 (2010); J. Stat. Phys. 149, 643 (2012); J. Stat. Phys. 152, 159 (2013); Phys. Rev. E 83, 041125 (2011)] introduced a nonequilibrium field-theoretical approach to describe the statistical properties of a classical particle ensemble starting from the microscopic equations of motion of each individual particle. We use this theory to investigate the transition from those microscopic degrees of freedom to the evolution equations of the macroscopic observables of the ensemble. For the free theory, we recover the continuity and Jeans equations of a collisionless gas. For a theory containing two-particle interactions in a canonical perturbation series, we find the macroscopic evolution equations to be described by the Born-Bogoliubov-Green-Kirkwood-Yvon hierarchy with a truncation criterion depending on the order in perturbation theory. This establishes a direct link between the classical and the field-theoretical approaches to kinetic theory that might serve as a starting point to investigate kinetic theory beyond the classical limits.
Kinetics and hybrid kinetic-fluid models for nonequilibrium gas and plasmas
International Nuclear Information System (INIS)
Crouseilles, N.
2004-12-01
For a few decades, the application of the physics of plasmas has appeared in different fields like laser-matter interaction, astrophysics or thermonuclear fusion. In this thesis, we are interested in the modeling and the numerical study of nonequilibrium gas and plasmas. To describe such systems, two ways are usually used: the fluid description and the kinetic description. When we study a nonequilibrium system, fluid models are not sufficient and a kinetic description have to be used. However, solving a kinetic model requires the discretization of a large number of variables, which is quite expensive from a numerical point of view. The aim of this work is to propose a hybrid kinetic-fluid model thanks to a domain decomposition method in the velocity space. The derivation of the hybrid model is done in two different contexts: the rarefied gas context and the more complicated plasmas context. The derivation partly relies on Levermore's entropy minimization approach. The so-obtained model is then discretized and validated on various numerical test cases. In a second stage, a numerical study of a fully kinetic model is presented. A collisional plasma constituted of electrons and ions is considered through the Vlasov-Poisson-Fokker-Planck-Landau equation. Then, a numerical scheme which preserves total mass and total energy is presented. This discretization permits in particular a numerical study of the Landau damping. (author)
Non-equilibrium reactive flux: A unified framework for slow and fast reaction kinetics.
Bose, Amartya; Makri, Nancy
2017-10-21
The flux formulation of reaction rate theory is recast in terms of the expectation value of the reactive flux with an initial condition that corresponds to a non-equilibrium, factorized reactant density. In the common case of slow reactive processes, the non-equilibrium expression reaches the plateau regime only slightly slower than the equilibrium flux form. When the reactants are described by a single quantum state, as in the case of electron transfer reactions, the factorized reactant density describes the true initial condition of the reactive process. In such cases, the time integral of the non-equilibrium flux expression yields the reactant population as a function of time, allowing characterization of the dynamics in cases where there is no clear separation of time scales and thus a plateau regime cannot be identified. The non-equilibrium flux offers a unified approach to the kinetics of slow and fast chemical reactions and is ideally suited to mixed quantum-classical methods.
DEFF Research Database (Denmark)
Høst-Madsen, Anders; Shah, Peter Jivan; Hansen, Torben
1987-01-01
Computer-simulation techniques are used to study the domain-growth kinetics of (2×1) ordering in a two-dimensional Ising model with nonconserved order parameter and with variable ratio α of next-nearest- and nearest-neighbor interactions. At zero temperature, persistent growth characterized...
International Nuclear Information System (INIS)
Keskin, M.; Canko, O.; Gueldal, S.
2009-01-01
We present phase diagrams for a nonequilibrium mixed spin-1/2 and spin-2 Ising ferrimagnetic system on a square lattice in the presence of a time dependent oscillating external magnetic field. We employ the Glauber transition rates to construct the mean-field dynamical equations. The time variation of the average magnetizations and the thermal behavior of the dynamic magnetizations are investigated, extensively. The nature (continuous or discontinuous) of the transitions is characterized by studying the thermal behaviors of the dynamic magnetizations. The dynamic phase transition points are obtained and the phase diagrams are presented in two different planes. Phase diagrams contain paramagnetic (p) and ferrimagnetic (i) phases, and one coexistence or mixed phase region, namely the i+p, that strongly depend on interaction parameters. The system exhibits the dynamic tricritical point and the reentrant behaviors.
Energy Technology Data Exchange (ETDEWEB)
Keskin, M., E-mail: keskin@erciyes.edu.t [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Canko, O. [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Gueldal, S. [Institute of Science, Erciyes University, 38039 Kayseri (Turkey)
2009-12-14
We present phase diagrams for a nonequilibrium mixed spin-1/2 and spin-2 Ising ferrimagnetic system on a square lattice in the presence of a time dependent oscillating external magnetic field. We employ the Glauber transition rates to construct the mean-field dynamical equations. The time variation of the average magnetizations and the thermal behavior of the dynamic magnetizations are investigated, extensively. The nature (continuous or discontinuous) of the transitions is characterized by studying the thermal behaviors of the dynamic magnetizations. The dynamic phase transition points are obtained and the phase diagrams are presented in two different planes. Phase diagrams contain paramagnetic (p) and ferrimagnetic (i) phases, and one coexistence or mixed phase region, namely the i+p, that strongly depend on interaction parameters. The system exhibits the dynamic tricritical point and the reentrant behaviors.
Non-equilibrium reacting gas flows kinetic theory of transport and relaxation processes
Nagnibeda, Ekaterina; Nagnibeda, Ekaterina
2009-01-01
This volume develops the kinetic theory of transport phenomena and relaxation processes in the flows of reacting gas mixtures. The theory is applied to the modeling of non-equilibrium flows behind strong shock waves, in the boundary layer, and in nozzles.
Atomistic Simulations of Nonequilibrium Crystal-Growth Kinetics from Alloy Melts
Yang, Yang; Humadi, Harith; Buta, Dorel; Laird, Brian B.; Sun, Deyan; Hoyt, Jeffrey J.; Asta, Mark
2011-07-01
Nonequilibrium kinetic properties of alloy crystal-melt interfaces are calculated by molecular-dynamics simulations. The relationships between the interface velocity, thermodynamic driving force, and solute partition coefficient are computed and analyzed within the framework of kinetic theories accounting for solute trapping and solute drag. The results show a transition to complete solute trapping at high growth velocities, establish appreciable solute drag at low growth velocities, and provide insights into the nature of crystalline anisotropies and solute effects on interface mobilities.
Kinetic Ising model in a time-dependent oscillating external magnetic field: effective-field theory
International Nuclear Information System (INIS)
Deviren, Bayram; Canko, Osman; Keskin, Mustafa
2010-01-01
Recently, Shi et al. [2008 Phys. Lett. A 372 5922] have studied the dynamical response of the kinetic Ising model in the presence of a sinusoidal oscillating field and presented the dynamic phase diagrams by using an effective-field theory (EFT) and a mean-field theory (MFT). The MFT results are in conflict with those of the earlier work of Tomé and de Oliveira, [1990 Phys. Rev. A 41 4251]. We calculate the dynamic phase diagrams and find that our results are similar to those of the earlier work of Tomé and de Oliveira; hence the dynamic phase diagrams calculated by Shi et al. are incomplete within both theories, except the low values of frequencies for the MFT calculation. We also investigate the influence of external field frequency (ω) and static external field amplitude (h 0 ) for both MFT and EFT calculations. We find that the behaviour of the system strongly depends on the values of ω and h 0 . (general)
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...
Nonequilibrium electron energy-loss kinetics in metal clusters
Guillon, C; Fatti, N D; Vallee, F
2003-01-01
Ultrafast energy exchanges of a non-Fermi electron gas with the lattice are investigated in silver clusters with sizes ranging from 4 to 26 nm using a femtosecond pump-probe technique. The results yield evidence for a cluster-size-dependent slowing down of the short-time energy losses of the electron gas when it is strongly athermal. A constant rate is eventually reached after a few hundred femtoseconds, consistent with the electron gas internal thermalization kinetics, this behaviour reflecting evolution from an individual to a collective electron-lattice type of coupling. The timescale of this transient regime is reduced in small nanoparticles, in agreement with speeding up of the electron-electron interactions with size reduction. The experimental results are in quantitative agreement with numerical simulations of the electron kinetics.
Lateral interactions and non-equilibrium in surface kinetics
Menzel, Dietrich
2016-08-01
Work modelling reactions between surface species frequently use Langmuir kinetics, assuming that the layer is in internal equilibrium, and that the chemical potential of adsorbates corresponds to that of an ideal gas. Coverage dependences of reacting species and of site blocking are usually treated with simple power law coverage dependences (linear in the simplest case), neglecting that lateral interactions are strong in adsorbate and co-adsorbate layers which may influence kinetics considerably. My research group has in the past investigated many co-adsorbate systems and simple reactions in them. We have collected a number of examples where strong deviations from simple coverage dependences exist, in blocking, promoting, and selecting reactions. Interactions can range from those between next neighbors to larger distances, and can be quite complex. In addition, internal equilibrium in the layer as well as equilibrium distributions over product degrees of freedom can be violated. The latter effect leads to non-equipartition of energy over molecular degrees of freedom (for products) or non-equal response to those of reactants. While such behavior can usually be described by dynamic or kinetic models, the deeper reasons require detailed theoretical analysis. Here, a selection of such cases is reviewed to exemplify these points.
International Nuclear Information System (INIS)
Rodriguez, D E; Bab, M A; Albano, E V
2011-01-01
Extensive Monte Carlo simulations are employed in order to study the dynamic critical behaviour of the one-dimensional Ising magnet, with algebraically decaying long-range interactions of the form 1/r d+σ , with σ = 0.75. The critical temperature, as well as the critical exponents, are evaluated from the power-law behaviour of suitable physical observables when the system is quenched from uncorrelated states, corresponding to infinite temperature, to the critical point. These results are compared with those obtained from the dynamic evolution of the system when it is annealed at the critical point from the ordered state. Also, the critical temperature in the infinite interaction limit is obtained by means of a finite-range scaling analysis of data measured with different truncated interaction ranges. All the estimated static critical exponents (γ/ν, β/ν, and 1/ν) are in good agreement with renormalization group (RG) results and previously reported numerical data obtained under equilibrium conditions. On the other hand, the dynamic exponent of the initial increase of the magnetization (θ) was close to RG predictions. However, the dynamic exponent z of the time correlation length is slightly different to the RG results probably due to the fact that it may depend on the specific dynamics used or because the two-loop expansion used in the RG analysis may be insufficient
Kinetic Study of Nonequilibrium Plasma-Assisted Methane Steam Reforming
Directory of Open Access Journals (Sweden)
Hongtao Zheng
2014-01-01
Full Text Available To develop a detailed reaction mechanism for plasma-assisted methane steam reforming, a comprehensive numerical and experimental study of effect laws on methane conversion and products yield is performed at different steam to methane molar ratio (S/C, residence time s, and reaction temperatures. A CHEMKIN-PRO software with sensitivity analysis module and path flux analysis module was used for simulations. A set of comparisons show that the developed reaction mechanism can accurately predict methane conversion and the trend of products yield in different operating conditions. Using the developed reaction mechanism in plasma-assisted kinetic model, the reaction path flux analysis was carried out. The result shows that CH3 recombination is the limiting reaction for CO production and O is the critical species for CO production. Adding 40 wt.% Ni/SiO2 in discharge region has significantly promoted the yield of H2, CO, or CO2 in dielectric packed bed (DPB reactor. Plasma catalytic hybrid reforming experiment verifies the reaction path flux analysis tentatively.
Causal kinetic equation of non-equilibrium plasmas
Directory of Open Access Journals (Sweden)
R. A. Treumann
2017-05-01
Full Text Available Statistical plasma theory far from thermal equilibrium is subject to Liouville's equation, which is at the base of the BBGKY hierarchical approach to plasma kinetic theory, from which, in the absence of collisions, Vlasov's equation follows. It is also at the base of Klimontovich's approach which includes single-particle effects like spontaneous emission. All these theories have been applied to plasmas with admirable success even though they suffer from a fundamental omission in their use of the electrodynamic equations in the description of the highly dynamic interactions in many-particle conglomerations. In the following we extend this theory to taking into account that the interaction between particles separated from each other at a distance requires the transport of information. Action needs to be transported and thus, in the spirit of the direct-interaction theory as developed by Wheeler and Feynman (1945, requires time. This is done by reference to the retarded potentials. We derive the fundamental causal Liouville equation for the phase space density of a system composed of a very large number of charged particles. Applying the approach of Klimontovich (1967, we obtain the retarded time evolution equation of the one-particle distribution function in plasmas, which replaces Klimontovich's equation in cases when the direct-interaction effects have to be taken into account. This becomes important in all systems where the distance between two points |Δq| ∼ ct is comparable to the product of observation time and light velocity, a situation which is typical in cosmic physics and astrophysics.
Aldrin-Denny, R
1998-01-01
The methodology of formulating spatio-temporal diffusion-migration equations in an applied electric field for two competing diffusion processes is outlined using kinetic Ising model versions with the help of spin-exchange dynamics due to Kawasaki. The two transport processes considered here correspond to bounded displacement of species attached to supramolecular structures and electron hopping between spatially separated electron transfer active centres. The dependence of the diffusion coefficient on number density as well as the microscopic basis underlying phenomenological diffusion-migration equations are pointed out. (author)
Göppel, Tobias; Palyulin, Vladimir V; Gerland, Ulrich
2016-07-27
An out-of-equilibrium physical environment can drive chemical reactions into thermodynamically unfavorable regimes. Under prebiotic conditions such a coupling between physical and chemical non-equilibria may have enabled the spontaneous emergence of primitive evolutionary processes. Here, we study the coupling efficiency within a theoretical model that is inspired by recent laboratory experiments, but focuses on generic effects arising whenever reactant and product molecules have different transport coefficients in a flow-through system. In our model, the physical non-equilibrium is represented by a drift-diffusion process, which is a valid coarse-grained description for the interplay between thermophoresis and convection, as well as for many other molecular transport processes. As a simple chemical reaction, we consider a reversible dimerization process, which is coupled to the transport process by different drift velocities for monomers and dimers. Within this minimal model, the coupling efficiency between the non-equilibrium transport process and the chemical reaction can be analyzed in all parameter regimes. The analysis shows that the efficiency depends strongly on the Damköhler number, a parameter that measures the relative timescales associated with the transport and reaction kinetics. Our model and results will be useful for a better understanding of the conditions for which non-equilibrium environments can provide a significant driving force for chemical reactions in a prebiotic setting.
Role of conformational dynamics in kinetics of an enzymatic cycle in a nonequilibrium steady state
Min, Wei; Xie, X. Sunney; Bagchi, Biman
2009-08-01
Enzyme is a dynamic entity with diverse time scales, ranging from picoseconds to seconds or even longer. Here we develop a rate theory for enzyme catalysis that includes conformational dynamics as cycling on a two-dimensional (2D) reaction free energy surface involving an intrinsic reaction coordinate (X) and an enzyme conformational coordinate (Q). The validity of Michaelis-Menten (MM) equation, i.e., substrate concentration dependence of enzymatic velocity, is examined under a nonequilibrium steady state. Under certain conditions, the classic MM equation holds but with generalized microscopic interpretations of kinetic parameters. However, under other conditions, our rate theory predicts either positive (sigmoidal-like) or negative (biphasic-like) kinetic cooperativity due to the modified effective 2D reaction pathway on X-Q surface, which can explain non-MM dependence previously observed on many monomeric enzymes that involve slow or hysteretic conformational transitions. Furthermore, we find that a slow conformational relaxation during product release could retain the enzyme in a favorable configuration, such that enzymatic turnover is dynamically accelerated at high substrate concentrations. The effect of such conformation retainment in a nonequilibrium steady state is evaluated.
International Nuclear Information System (INIS)
Li, Zhihui; Ma, Qiang; Wu, Junlin; Jiang, Xinyu; Zhang, Hanxin
2014-01-01
Based on the Gas-Kinetic Unified Algorithm (GKUA) directly solving the Boltzmann model equation, the effect of rotational non-equilibrium is investigated recurring to the kinetic Rykov model with relaxation property of rotational degrees of freedom. The spin movement of diatomic molecule is described by moment of inertia, and the conservation of total angle momentum is taken as a new Boltzmann collision invariant. The molecular velocity distribution function is integrated by the weight factor on the internal energy, and the closed system of two kinetic controlling equations is obtained with inelastic and elastic collisions. The optimization selection technique of discrete velocity ordinate points and numerical quadrature rules for macroscopic flow variables with dynamic updating evolvement are developed to simulate hypersonic flows, and the gas-kinetic numerical scheme is constructed to capture the time evolution of the discretized velocity distribution functions. The gas-kinetic boundary conditions in thermodynamic non-equilibrium and numerical procedures are studied and implemented by directly acting on the velocity distribution function, and then the unified algorithm of Boltzmann model equation involving non-equilibrium effect is presented for the whole range of flow regimes. The hypersonic flows involving non-equilibrium effect are numerically simulated including the inner flows of shock wave structures in nitrogen with different Mach numbers of 1.5-Ma-25, the planar ramp flow with the whole range of Knudsen numbers of 0.0009-Kn-10 and the three-dimensional re-entering flows around tine double-cone body
Non-equilibrium plasma kinetics of reacting CO: an improved state to state approach
Pietanza, L. D.; Colonna, G.; Capitelli, M.
2017-12-01
Non-equilibrium plasma kinetics of reacting CO for conditions typically met in microwave discharges have been developed based on the coupling of excited state kinetics and the Boltzmann equation for the electron energy distribution function (EEDF). Particular attention is given to the insertion in the vibrational kinetics of a complete set of electron molecule resonant processes linking the whole vibrational ladder of the CO molecule, as well as to the role of Boudouard reaction, i.e. the process of forming CO2 by two vibrationally excited CO molecules, in shaping the vibrational distribution of CO and promoting reaction channels assisted by vibrational excitation (pure vibrational mechanisms, PVM). PVM mechanisms can become competitive with electron impact dissociation processes (DEM) in the activation of CO. A case study reproducing the conditions of a microwave discharge has been considered following the coupled kinetics also in the post discharge conditions. Results include the evolution of EEDF in discharge and post discharge conditions highlighting the role of superelastic vibrational and electronic collisions in shaping the EEDF. Moreover, PVM rate coefficients and DEM ones are studied as a function of gas temperature, showing a non-Arrhenius behavior, i.e. the rate coefficients increase with decreasing gas temperature as a result of a vibrational–vibrational (V–V) pumping up mechanism able to form plateaux in the vibrational distribution function. The accuracy of the results is discussed in particular in connection to the present knowledge of the activation energy of the Boudouard process.
Pigeard de Almeida Prado, Fernando; Schütz, Gunter M.
2011-03-01
We consider a kinetic Ising model which represents a generic agent-based model for various types of socio-economic systems. We study the case of a finite (and not necessarily large) number of agents N as well as the asymptotic case when the number of agents tends to infinity. The main ingredient are individual decision thresholds which are either fixed over time (corresponding to quenched disorder in the Ising model, leading to nonlinear deterministic dynamics which are generically non-ergodic) or which may change randomly over time (corresponding to annealed disorder, leading to ergodic dynamics). We address the question how increasing the strength of annealed disorder relative to quenched disorder drives the system from non-ergodic behavior to ergodicity. Mathematically rigorous analysis provides an explicit and detailed picture for arbitrary realizations of the quenched initial thresholds, revealing an intriguing "jumpy" transition from non-ergodicity with many absorbing sets to ergodicity. For large N we find a critical strength of annealed randomness, above which the system becomes asymptotically ergodic. Our theoretical results suggests how to drive a system from an undesired socio-economic equilibrium (e.g. high level of corruption) to a desirable one (low level of corruption).
Theory of chemical kinetics and charge transfer based on nonequilibrium thermodynamics.
Bazant, Martin Z
2013-05-21
the past 7 years, which is capable of answering these questions. The reaction rate is a nonlinear function of the thermodynamic driving force, the free energy of reaction, expressed in terms of variational chemical potentials. The theory unifies and extends the Cahn-Hilliard and Allen-Cahn equations through a master equation for nonequilibrium chemical thermodynamics. For electrochemistry, I have also generalized both Marcus and Butler-Volmer kinetics for concentrated solutions and ionic solids. This new theory provides a quantitative description of LFP phase behavior. Concentration gradients and elastic coherency strain enhance the intercalation rate. At low currents, the charge-transfer rate is focused on exposed phase boundaries, which propagate as "intercalation waves", nucleated by surface wetting. Unexpectedly, homogeneous reactions are favored above a critical current and below a critical size, which helps to explain the rate capability of LFP nanoparticles. Contrary to other mechanisms, elevated temperatures and currents may enhance battery performance and lifetime by suppressing phase separation. The theory has also been extended to porous electrodes and could be used for battery engineering with multiphase active materials. More broadly, the theory describes nonequilibrium chemical systems at mesoscopic length and time scales, beyond the reach of molecular simulations and bulk continuum models. The reaction rate is consistently defined for inhomogeneous, nonequilibrium states, for example, with phase separation, large electric fields, or mechanical stresses. This research is also potentially applicable to fluid extraction from nanoporous solids, pattern formation in electrophoretic deposition, and electrochemical dynamics in biological cells.
Aquilanti, Vincenzo; Coutinho, Nayara Dantas; Carvalho-Silva, Valter Henrique
2017-03-01
This article surveys the empirical information which originated both by laboratory experiments and by computational simulations, and expands previous understanding of the rates of chemical processes in the low-temperature range, where deviations from linearity of Arrhenius plots were revealed. The phenomenological two-parameter Arrhenius equation requires improvement for applications where interpolation or extrapolations are demanded in various areas of modern science. Based on Tolman's theorem, the dependence of the reciprocal of the apparent activation energy as a function of reciprocal absolute temperature permits the introduction of a deviation parameter d covering uniformly a variety of rate processes, from those where quantum mechanical tunnelling is significant and d 0, corresponding to the Pareto-Tsallis statistical weights: these generalize the Boltzmann-Gibbs weight, which is recovered for d = 0. It is shown here how the weights arise, relaxing the thermodynamic equilibrium limit, either for a binomial distribution if d > 0 or for a negative binomial distribution if d < 0, formally corresponding to Fermion-like or Boson-like statistics, respectively. The current status of the phenomenology is illustrated emphasizing case studies; specifically (i) the super-Arrhenius kinetics, where transport phenomena accelerate processes as the temperature increases; (ii) the sub-Arrhenius kinetics, where quantum mechanical tunnelling propitiates low-temperature reactivity; (iii) the anti-Arrhenius kinetics, where processes with no energetic obstacles are rate-limited by molecular reorientation requirements. Particular attention is given for case (i) to the treatment of diffusion and viscosity, for case (ii) to formulation of a transition rate theory for chemical kinetics including quantum mechanical tunnelling, and for case (iii) to the stereodirectional specificity of the dynamics of reactions strongly hindered by the increase of temperature. This article is part of
Paul, Shibashis; Ghosh, Shyamolina; Ray, Deb Shankar
2018-02-01
We consider a reaction-diffusion system with linear, stochastic activator-inhibitor kinetics where the time evolution of concentration of a species at any spatial location depends on the relative average concentration of its neighbors. This self-regulating nature of kinetics brings in spatial correlation between the activator and the inhibitor. An interplay of this correlation in kinetics and disparity of diffusivities of the two species leads to symmetry breaking non-equilibrium transition resulting in stationary pattern formation. The role of initial noise strength and the linear reaction terms has been analyzed for pattern selection.
International Nuclear Information System (INIS)
Atitoaie, Alexandru; Stoleriu, Laurentiu; Tanasa, Radu; Stancu, Alexandru; Enachescu, Cristian
2016-01-01
The scientific community is manifesting a high research interest on spin crossover compounds and their recently synthesized nanoparticles, due to their various appealing properties, such as the bistability between a diamagnetic low spin state and a paramagnetic high spin state (HS), inter-switchable by temperature or pressure changes, light irradiation or magnetic field. The utility of these compounds showing hysteresis covers a broad area of applications, from the development of more efficient designs of temperature and pressure sensors to automotive and aeronautic industries and even a new type of molecular actuators. We are proposing in this work a study regarding the kinetic effects and the distribution of reversible and irreversible components on the thermal hysteresis of spin crossover nanoparticulated systems. We are considering here tridimensional systems with different sizes and also systems of nanoparticles with a Gaussian size distribution. The correlations between the kinetics of the thermal hysteresis, the distributions of sizes and intermolecular interactions and the transition temperature distributions were established by using the FORC (First Order Reversal Curves) method using a Monte Carlo technique within an Ising-like system.
Energy Technology Data Exchange (ETDEWEB)
Atitoaie, Alexandru, E-mail: atitoaie@phys-iasi.ro [Department. of Physics, “Alexandru Ioan Cuza” University, 700506 Iasi (Romania); National Institute of Research and Development for Technical Physics, Iasi (Romania); Stoleriu, Laurentiu [Department. of Physics, “Alexandru Ioan Cuza” University, 700506 Iasi (Romania); Tanasa, Radu [Department. of Physics, “Alexandru Ioan Cuza” University, 700506 Iasi (Romania); Department of Engineering, University of Cambridge, CB2 1PZ Cambridge (United Kingdom); Stancu, Alexandru; Enachescu, Cristian [Department. of Physics, “Alexandru Ioan Cuza” University, 700506 Iasi (Romania)
2016-04-01
The scientific community is manifesting a high research interest on spin crossover compounds and their recently synthesized nanoparticles, due to their various appealing properties, such as the bistability between a diamagnetic low spin state and a paramagnetic high spin state (HS), inter-switchable by temperature or pressure changes, light irradiation or magnetic field. The utility of these compounds showing hysteresis covers a broad area of applications, from the development of more efficient designs of temperature and pressure sensors to automotive and aeronautic industries and even a new type of molecular actuators. We are proposing in this work a study regarding the kinetic effects and the distribution of reversible and irreversible components on the thermal hysteresis of spin crossover nanoparticulated systems. We are considering here tridimensional systems with different sizes and also systems of nanoparticles with a Gaussian size distribution. The correlations between the kinetics of the thermal hysteresis, the distributions of sizes and intermolecular interactions and the transition temperature distributions were established by using the FORC (First Order Reversal Curves) method using a Monte Carlo technique within an Ising-like system.
Correction to scaling in the response function of the two-dimensional kinetic Ising model
Corberi, Federico; Lippiello, Eugenio; Zannetti, Marco
2005-11-01
The aging part Rag(t,s) of the impulsive response function of the two-dimensional ferromagnetic Ising model, quenched below the critical point, is studied numerically employing an algorithm without the imposition of the external field. We find that the simple scaling form Rag(t,s)=s-(1+a)f(t/s) , which is usually believed to hold in the aging regime, is not obeyed. We analyze the data assuming the existence of a correction to scaling. We find a=0.273±0.006 , in agreement with previous numerical results obtained from the zero field cooled magnetization. We investigate in detail also the scaling function f(t/s) and we compare the results with the predictions of analytical theories. We make an ansatz for the correction to scaling, deriving an analytical expression for Rag(t,s) . This gives a satisfactory qualitative agreement with the numerical data for Rag(t,s) and for the integrated response functions. With the analytical model we explore the overall behavior, extrapolating beyond the time regime accessible with the simulations. We explain why the data for the zero field cooled susceptibility are not too sensitive to the existence of the correction to scaling in Rag(t,s) , making this quantity the most convenient for the study of the asymptotic scaling properties.
Effects of non-equilibrium angle fluctuation on F1-ATPase kinetics induced by temperature increase.
Tamiya, Yuji; Watanabe, Rikiya; Noji, Hiroyuki; Li, Chun-Biu; Komatsuzaki, Tamiki
2018-01-17
F 1 -ATPase (F 1 ) is an efficient rotary protein motor, whose reactivity is modulated by the rotary angle to utilize thermal fluctuation. In order to elucidate how its kinetics are affected by the change in the fluctuation, we have extended the reaction-diffusion formalism [R. Watanabe et al., Biophys. J., 2013, 105, 2385] applicable to a wider range of temperatures based on experimental data analysis of F 1 derived from thermophilic Bacillus under high ATP concentration conditions. Our simulation shows that the rotary angle distribution manifests a stronger non-equilibrium feature as the temperature increases, because ATP hydrolysis and P i release are more accelerated compared with the timescale of rotary angle relaxation. This effect causes the rate coefficient obtained from dwell time fitting to deviate from the Arrhenius relation in P i release, which has been assumed in the previous activation thermodynamic quantities estimation using linear Arrhenius fitting. Larger negative correlation is also found between hydrolysis and P i release waiting time in a catalytic dwell with the increase in temperature. This loss of independence between the two successive reactions at the catalytic dwell sheds doubt on the conventional dwell time fitting to obtain rate coefficients with a double exponential function at temperatures higher than 65 °C, which is close to the physiological temperature of the thermophilic Bacillus.
International Nuclear Information System (INIS)
Zhang, Zhedong; Wang, Jin
2015-01-01
We develop a population and flux landscape theory for general non-equilibrium quantum systems. We illustrate our theory by modelling the quantum transport of donor-acceptor energy transfer. We find two driving forces for the non-equilibrium quantum dynamics. The symmetric part of the driving force corresponds to the population landscape contribution which mainly governs the equilibrium part of dynamics while the anti-symmetric part of the driving force generates the non-equilibrium curl quantum flux which leads to the detailed-balance-breaking and time-irreversibility. The multi-loop structure of the flux emerges forms the flux-landscape. We study the trend of changes in population and flux-landscape with respect to the voltage (temperature difference induced by environments) and electronic coupling. Improving the voltage and electronic coupling in general facilitates the quantum transport by reducing the population landscape barriers between major states and increasing the mean value of the flux. A limit-cycle mode emerges when the underlying flux-landscape becomes funnelled with a significant gap between the largest flux loop and the rest of them. On the kinetic level, we find that multiple kinetic paths between quantum states emerge and illustrate the interference effects. The degree of interference is determined by the landscape and flux. Furthermore, we quantify kinetic rate which strongly correlates with the population landscape and flux. For quantum transport, we demonstrate that as the coherence or the quantum entanglement is enhanced, the flux and energy transfer efficiency are increased. Finally it is surprising that the non-equilibriumness quantified by voltage has a non-trivial contribution on strengthening the entanglement, which is attributed to the non-local feature of the quantum curl flux. (paper)
Energy Technology Data Exchange (ETDEWEB)
Batı, Mehmet, E-mail: mehmet.bati@erdogan.edu.tr [Department of Physics, Recep Tayyip Erdoğan University, 53100 Rize (Turkey); Ertaş, Mehmet [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)
2017-05-15
The hysteresis properties of a kinetic mixed spin (1/2, 1) Ising ferrimagnetic system on a hexagonal lattice are studied by means of the dynamic mean field theory. In the present study, the effects of the nearest-neighbor interaction, temperature, frequency of oscillating magnetic field and the exchange anisotropy on the hysteresis properties of the kinetic system are discussed in detail. A number of interesting phenomena such as the shape of hysteresis loops with one, two, three and inverted-hysteresis/proteresis (butterfly shape hysteresis) have been obtained. Finally, the obtained results are compared with some experimental and theoretical results and a qualitatively good agreement is found.
Prediction of Non-Equilibrium Kinetics of Fuel-Rich Kerosene/LOX Combustion in Gas Generator
Energy Technology Data Exchange (ETDEWEB)
Yu, Jung Min; Lee, Chang Jin [Konkuk University, Seoul (Korea, Republic of)
2007-08-15
Gas generator is the device to produce high enthalpy gases needed to drive turbo-pump system in liquid rocket engine. And, the combustion temperature in gas generator should be controlled below around 1,000K to avoid any possible thermal damages to turbine blade by using either fuel rich combustion or oxidizer rich combustion. Thus, nonequilibrium chemical reaction dominates in fuel-rich combustion of gas generator. Meanwhile, kerosene is a compounded fuel with various types of hydrocarbon elements and difficult to model the chemical kinetics. This study focuses on the prediction of the non-equilibrium reaction of fuel rich kerosene/LOX combustion with detailed kinetics developed by Dagaut using PSR (Perfectly Stirred Reactor) assumption. In Dagaut's surrogate model for kerosene, chemical kinetics of kerosene consists of 1,592 reaction steps with 207 chemical species. Also, droplet evaporation time is taken into account in the PSR calculation by changing the residence time of droplet in the gas generator. Frenklach's soot model was implemented along with detailed kinetics to calculate the gas properties of fuel rich combustion efflux. The results could provide very reliable and accurate numbers in the prediction of combustion gas temperature,species fraction and material properties.
An upwind, kinetic flux-vector splitting method for flows in chemical and thermal non-equilibrium
Eppard, W. M.; Grossman, B.
1993-01-01
We have developed new upwind kinetic difference schemes for flows with non-equilibrium thermodynamics and chemistry. These schemes are derived from the Boltzmann equation with the resulting Euler schemes developed as moments of the discretized Boltzmann scheme with a locally Maxwellian velocity distribution. Splitting the velocity distribution at the Boltzmann level is seen to result in a flux-split Euler scheme and is called Kinetic Flux Vector Splitting (KFVS). Extensions to flows with finite-rate chemistry and vibrational relaxation is accomplished utilizing nonequilibrium kinetic theory. Computational examples are presented comparing KFVS with the schemes of Van Leer and Roe for a quasi-one-dimensional flow through a supersonic diffuser, inviscid flow through two-dimensional inlet, and viscous flow over a cone at zero angle-of-attack. Calculations are also shown for the transonic flow over a bump in a channel and the transonic flow over an NACA 0012 airfoil. The results show that even though the KFVS scheme is a Riemann solver at the kinetic level, its behavior at the Euler level is more similar to the existing flux-vector splitting algorithms than to the flux-difference splitting scheme of Roe.
Prediction of Non-Equilibrium Kinetics of Fuel-Rich Kerosene/LOX Combustion in Gas Generator
International Nuclear Information System (INIS)
Yu, Jung Min; Lee, Chang Jin
2007-01-01
Gas generator is the device to produce high enthalpy gases needed to drive turbo-pump system in liquid rocket engine. And, the combustion temperature in gas generator should be controlled below around 1,000K to avoid any possible thermal damages to turbine blade by using either fuel rich combustion or oxidizer rich combustion. Thus, nonequilibrium chemical reaction dominates in fuel-rich combustion of gas generator. Meanwhile, kerosene is a compounded fuel with various types of hydrocarbon elements and difficult to model the chemical kinetics. This study focuses on the prediction of the non-equilibrium reaction of fuel rich kerosene/LOX combustion with detailed kinetics developed by Dagaut using PSR (Perfectly Stirred Reactor) assumption. In Dagaut's surrogate model for kerosene, chemical kinetics of kerosene consists of 1,592 reaction steps with 207 chemical species. Also, droplet evaporation time is taken into account in the PSR calculation by changing the residence time of droplet in the gas generator. Frenklach's soot model was implemented along with detailed kinetics to calculate the gas properties of fuel rich combustion efflux. The results could provide very reliable and accurate numbers in the prediction of combustion gas temperature,species fraction and material properties
Qian, Hong; Kjelstrup, Signe; Kolomeisky, Anatoly B; Bedeaux, Dick
2016-04-20
Nonequilibrium thermodynamics (NET) investigates processes in systems out of global equilibrium. On a mesoscopic level, it provides a statistical dynamic description of various complex phenomena such as chemical reactions, ion transport, diffusion, thermochemical, thermomechanical and mechanochemical fluxes. In the present review, we introduce a mesoscopic stochastic formulation of NET by analyzing entropy production in several simple examples. The fundamental role of nonequilibrium steady-state cycle kinetics is emphasized. The statistical mechanics of Onsager's reciprocal relations in this context is elucidated. Chemomechanical, thermomechanical, and enzyme-catalyzed thermochemical energy transduction processes are discussed. It is argued that mesoscopic stochastic NET in phase space provides a rigorous mathematical basis of fundamental concepts needed for understanding complex processes in chemistry, physics and biology. This theory is also relevant for nanoscale technological advances.
Qian, Hong; Kjelstrup, Signe; Kolomeisky, Anatoly B.; Bedeaux, Dick
2016-04-01
Nonequilibrium thermodynamics (NET) investigates processes in systems out of global equilibrium. On a mesoscopic level, it provides a statistical dynamic description of various complex phenomena such as chemical reactions, ion transport, diffusion, thermochemical, thermomechanical and mechanochemical fluxes. In the present review, we introduce a mesoscopic stochastic formulation of NET by analyzing entropy production in several simple examples. The fundamental role of nonequilibrium steady-state cycle kinetics is emphasized. The statistical mechanics of Onsager’s reciprocal relations in this context is elucidated. Chemomechanical, thermomechanical, and enzyme-catalyzed thermochemical energy transduction processes are discussed. It is argued that mesoscopic stochastic NET in phase space provides a rigorous mathematical basis of fundamental concepts needed for understanding complex processes in chemistry, physics and biology. This theory is also relevant for nanoscale technological advances.
Kinetics of a mixed spin-1/2 and spin-3/2 Ising ferrimagnetic model
International Nuclear Information System (INIS)
Deviren, Bayram; Keskin, Mustafa; Canko, Osman
2009-01-01
We present a study, within a mean-field approach, of the kinetics of a mixed ferrimagnetic model on a square lattice in which two interpenetrating square sublattices have spins that can take two values, σ=±1/2 , alternated with spins that can take the four values, S=±3/2 ,±1/2 . We use the Glauber-type stochastic dynamics to describe the time evolution of the system with a crystal-field interaction in the presence of a time-dependent oscillating external magnetic field. The nature (continuous and discontinuous) of transition is characterized by studying the thermal behaviors of average order parameters in a period. The dynamic phase transition points are obtained and the phase diagrams are presented in the reduced magnetic field amplitude (h) and reduced temperature (T) plane, and in the reduced temperature and interaction parameter planes, namely in the (h, T) and (d, T) planes, d is the reduced crystal-field interaction. The phase diagrams always exhibit a tricritical point in (h, T) plane, but do not exhibit in the (d, T) plane for low values of h. The dynamic multicritical point or dynamic critical end point exist in the (d, T) plane for low values of h. Moreover, phase diagrams contain paramagnetic (p), ferromagnetic (f), ferrimagnetic (i) phases, two coexistence or mixed phase regions, (f+p) and (i+p), that strongly depend on interaction parameters
Kinetics of a mixed spin-1/2 and spin-3/2 Ising ferrimagnetic model
Energy Technology Data Exchange (ETDEWEB)
Deviren, Bayram [Institute of Science, Erciyes University, 38039 Kayseri (Turkey); Keskin, Mustafa [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)], E-mail: keskin@erciyes.edu.tr; Canko, Osman [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)
2009-03-15
We present a study, within a mean-field approach, of the kinetics of a mixed ferrimagnetic model on a square lattice in which two interpenetrating square sublattices have spins that can take two values, {sigma}={+-}1/2 , alternated with spins that can take the four values, S={+-}3/2 ,{+-}1/2 . We use the Glauber-type stochastic dynamics to describe the time evolution of the system with a crystal-field interaction in the presence of a time-dependent oscillating external magnetic field. The nature (continuous and discontinuous) of transition is characterized by studying the thermal behaviors of average order parameters in a period. The dynamic phase transition points are obtained and the phase diagrams are presented in the reduced magnetic field amplitude (h) and reduced temperature (T) plane, and in the reduced temperature and interaction parameter planes, namely in the (h, T) and (d, T) planes, d is the reduced crystal-field interaction. The phase diagrams always exhibit a tricritical point in (h, T) plane, but do not exhibit in the (d, T) plane for low values of h. The dynamic multicritical point or dynamic critical end point exist in the (d, T) plane for low values of h. Moreover, phase diagrams contain paramagnetic (p), ferromagnetic (f), ferrimagnetic (i) phases, two coexistence or mixed phase regions, (f+p) and (i+p), that strongly depend on interaction parameters.
International Nuclear Information System (INIS)
Stout, R B
2001-01-01
A theoretical expression is developed for the dissolution rate response for multi-component radioactive materials that have surface adsorption kinetics and radiolysis kinetics when wetted by a multi-component aqueous solution. An application for this type of dissolution response is the performance evaluation of multi-component spent nuclear fuels (SNFs) for long term interim storage and for geological disposition. Typically, SNF compositions depend on initial composition, uranium oxide and metal alloys being most common, and on reactor burnup which results in a wide range of fission product and actinide concentrations that decay by alpha, beta, and gamma radiation. These compositional/burnup ranges of SNFs, whether placed in interim storage or emplaced in a geologic repository, will potentially be wetted by multi-component aqueous solutions, and these solutions may be further altered by radiolytic aqueous species due to three radiation fields. The solid states of the SNFs are not thermodynamically stable when wetted and will dissolve, with or without radiolysis. The following development of a dissolution theory is based on a non-equilibrium thermodynamic analysis of energy reactions and energy transport across a solid-liquid phase change discontinuity that propagates at a quasi-steady, dissolution velocity. The integral form of the energy balance equation is used for this spatial surface discontinuity analysis. The integral formulation contains internal energy functional of classical thermodynamics for both the SNFs' solid state and surface adsorption species, and the adjacent liquid state, which includes radiolytic chemical species. The steady-state concentrations of radiolytic chemical species are expressed by an approximate analysis of the decay radiation transport equation. For purposes of illustration a modified Temkin adsorption isotherm was assumed for the surface adsorption kinetics on an arbitrary, finite area of the solid-liquid dissolution interface. For
Thermodynamics of trajectories of the one-dimensional Ising model
International Nuclear Information System (INIS)
Loscar, Ernesto S; Mey, Antonia S J S; Garrahan, Juan P
2011-01-01
We present a numerical study of the dynamics of the one-dimensional Ising model by applying the large-deviation method to describe ensembles of dynamical trajectories. In this approach trajectories are classified according to a dynamical order parameter and the structure of ensembles of trajectories can be understood from the properties of large-deviation functions, which play the role of dynamical free-energies. We consider both Glauber and Kawasaki dynamics, and also the presence of a magnetic field. For Glauber dynamics in the absence of a field we confirm the analytic predictions of Jack and Sollich about the existence of critical dynamical, or space–time, phase transitions at critical values of the 'counting' field s. In the presence of a magnetic field the dynamical phase diagram also displays first order transition surfaces. We discuss how these non-equilibrium transitions in the 1d Ising model relate to the equilibrium ones of the 2d Ising model. For Kawasaki dynamics we find a much simpler dynamical phase structure, with transitions reminiscent of those seen in kinetically constrained models
New Chemical Kinetics Approach for DSMC Applications to Nonequilibrium Flows, Phase II
National Aeronautics and Space Administration — A new chemical kinetics model and database will be developed for aerothermodynamic analyses on entry vehicles. Unique features of this model include (1) the ability...
New Chemical Kinetics Approach for DSMC Applications to Nonequilibrium Flows, Phase I
National Aeronautics and Space Administration — A new chemical kinetics model and database will be developed for aerothermodynamic analyses on entry vehicles. Unique features of this model include (1) the ability...
Nonequilibrium Statistical Mechanics in One Dimension
Privman, Vladimir
2005-08-01
Part I. Reaction-Diffusion Systems and Models of Catalysis; 1. Scaling theories of diffusion-controlled and ballistically-controlled bimolecular reactions S. Redner; 2. The coalescence process, A+A->A, and the method of interparticle distribution functions D. ben-Avraham; 3. Critical phenomena at absorbing states R. Dickman; Part II. Kinetic Ising Models; 4. Kinetic ising models with competing dynamics: mappings, correlations, steady states, and phase transitions Z. Racz; 5. Glauber dynamics of the ising model N. Ito; 6. 1D Kinetic ising models at low temperatures - critical dynamics, domain growth, and freezing S. Cornell; Part III. Ordering, Coagulation, Phase Separation; 7. Phase-ordering dynamics in one dimension A. J. Bray; 8. Phase separation, cluster growth, and reaction kinetics in models with synchronous dynamics V. Privman; 9. Stochastic models of aggregation with injection H. Takayasu and M. Takayasu; Part IV. Random Sequential Adsorption and Relaxation Processes; 10. Random and cooperative sequential adsorption: exactly solvable problems on 1D lattices, continuum limits, and 2D extensions J. W. Evans; 11. Lattice models of irreversible adsorption and diffusion P. Nielaba; 12. Deposition-evaporation dynamics: jamming, conservation laws and dynamical diversity M. Barma; Part V. Fluctuations In Particle and Surface Systems; 13. Microscopic models of macroscopic shocks S. A. Janowsky and J. L. Lebowitz; 14. The asymmetric exclusion model: exact results through a matrix approach B. Derrida and M. R. Evans; 15. Nonequilibrium surface dynamics with volume conservation J. Krug; 16. Directed walks models of polymers and wetting J. Yeomans; Part VI. Diffusion and Transport In One Dimension; 17. Some recent exact solutions of the Fokker-Planck equation H. L. Frisch; 18. Random walks, resonance, and ratchets C. R. Doering and T. C. Elston; 19. One-dimensional random walks in random environment K. Ziegler; Part VII. Experimental Results; 20. Diffusion
Ignatyev, Yu. G.; Ignatyev, D. Yu.
2011-01-01
It has been researched the kinetics of the thermal equilibrium's establishment in an early Universe under the assumption of the recovery of interaction scaling of elementary particles in range of superhigh energies. The case of the thermal equilibrium's weak initial violation and basic cosmological consequences of the thermal equilibrium's violation have been researched.
Invited paper: non-equilibrium kinetics and gas heating in the cathode sheath
International Nuclear Information System (INIS)
Long, W.H.
1983-01-01
The cathode sheath is a region of steep gradients in electric field and gas density. Electrons leaving the cathode surface do not in general reach equilibrium with the local electric field until well into the negative glow. Previous theories, which assume local equilibrium, have demonstrated fair agreement with experimental measurements of normal cathode fall voltage and current density, but do not reproduce the basic structure of the cathode region observed at low pressure. In the present work, the local electron energy distribution is determined from a numerical solution of the Boltzmann equation in the presence of strong field and density gradients. Self-consistent coupling to the electric field, ion kinetics and gas dynamics is included. In subsonic flows, it is found that the sheath and boundary layer can be treated independently
Hoede, C.; Zandvliet, Henricus J.W.
For various Ising models two approaches are discussed, one is that of simulating lattices, also called gauging on exact equations, the other is that of calculating analytical expressions for the boundary free energy of Ising lattices. The first approach allows to conjecture a solution for some Ising
Ramaswamy, Rajesh; Sbalzarini, Ivo F; González-Segredo, Nélido
2011-01-28
Stochastic effects from correlated noise non-trivially modulate the kinetics of non-linear chemical reaction networks. This is especially important in systems where reactions are confined to small volumes and reactants are delivered in bursts. We characterise how the two noise sources confinement and burst modulate the relaxation kinetics of a non-linear reaction network around a non-equilibrium steady state. We find that the lifetimes of species change with burst input and confinement. Confinement increases the lifetimes of all species that are involved in any non-linear reaction as a reactant. Burst monotonically increases or decreases lifetimes. Competition between burst-induced and confinement-induced modulation may hence lead to a non-monotonic modulation. We quantify lifetime as the integral of the time autocorrelation function (ACF) of concentration fluctuations around a non-equilibrium steady state of the reaction network. Furthermore, we look at the first and second derivatives of the ACF, each of which is affected in opposite ways by burst and confinement. This allows discriminating between these two noise sources. We analytically derive the ACF from the linear Fokker-Planck approximation of the chemical master equation in order to establish a baseline for the burst-induced modulation at low confinement. Effects of higher confinement are then studied using a partial-propensity stochastic simulation algorithm. The results presented here may help understand the mechanisms that deviate stochastic kinetics from its deterministic counterpart. In addition, they may be instrumental when using fluorescence-lifetime imaging microscopy (FLIM) or fluorescence-correlation spectroscopy (FCS) to measure confinement and burst in systems with known reaction rates, or, alternatively, to correct for the effects of confinement and burst when experimentally measuring reaction rates.
Nonequilibrium statistical physics
Röpke, Gerd
2013-01-01
Authored by one of the top theoretical physicists in Germany, and a well-known authority in the field, this is the only coherent presentation of the subject suitable for masters and PhD students, as well as postdocs in physics and related disciplines.Starting from a general discussion of the nonequilibrium state, different standard approaches such as master equations, and kinetic and linear response theory, are derived after special assumptions. This allows for an insight into the problems of nonequilibrium physics, a discussion of the limits, and suggestions for improvements. Applications
Schrödle, Simon; Richmond, Geraldine L
2008-04-16
The adsorption, desorption, and equilibrium monomer exchange processes of sodium dodecanoate at the fluorite(CaF 2)-water interface have been studied. For the first time, we use in situ vibrational sum-frequency spectroscopy (VSFS) to gain insights into the mechanism and kinetics of monolayer self-assembly at the mineral-water interface. By exploiting the nonlinear optical response of the adsorbate, the temporal correlation of headgroup adsorption and alignment of the surfactant's alkyl chain was monitored. Because of the unique surface-specificity of VSFS, changes in the interfacial water structure were also tracked experimentally. The spectra clearly reveal that the structure of interfacial water molecules is severely disturbed at the start of the adsorption process. With the formation of a well-ordered adsorbate layer, it is partially reestablished; however, the molecular orientation and state of coordination is significantly altered. Even at very low surfactant concentrations, overcharging of the mineral surface (i.e., the adsorption of adsorbates past the point of electrostatic equilibrium) was observed. This points out the importance of effects other than electrostatic interactions and it is proposed that cooperative effects of both water structure and surfactant hemimicelle formation at the interface are key factors. The present study also investigates desorption kinetics of partially and fully established monolayers and a statistical model for data analysis is proposed. Additional experiments were performed in the presence of electrolytes and showed that uni- and divalent anions affect the nonequilibrium kinetics of self-assembled monolayers in strikingly different ways.
From Non-equilibrium to Equilibrium: Micellar Kinetics seen by Time-resolved Small-angle Scattering
Lund, Reidar
The kinetic pathways of self-assembled nanostructures are not fully understood. Time-resolved small-angle X-ray/neutron scattering (TR-SAXS/SANS) is powerful technique1 that allows kinetics processes such as nucleation processes2,3 and morphological transitions4,5 to be followed with structural resolution over time scales starting from milliseconds. Neutrons offer the additional advantage of facile contrast variation through H/D substitution schemes, which also allow equilibrium processes such as molecular exchange and diffusion to be studied1 , 6 , 7. Here we will highlight the current capabilities of TR-SAS and show results on the kinetics of polymeric micelles. We will address how the understanding of kinetic pathways can be used control the nanostructure.
Jeon, Jonggu; Lim, Joon Hyung; Kim, Seongheun; Kim, Heejae; Cho, Minhaeng
2015-05-28
A time series of kinetic energies (KE) from classical molecular dynamics (MD) simulation contains fundamental information on system dynamics. It can also be analyzed in the frequency domain through Fourier transformation (FT) of velocity correlation functions, providing energy content of different spectral regions. By limiting the FT time span, we have previously shown that spectral resolution of KE evolution is possible in the nonequilibrium situations [Jeon and Cho, J. Chem. Phys. 2011, 135, 214504]. In this paper, we refine the method by employing the concept of instantaneous power spectra, extending it to reflect an instantaneous time-correlation of velocities with those in the future as well as with those in the past, and present a new method to obtain the instantaneous spectral density of KE (iKESD). This approach enables the simultaneous spectral and temporal resolution of KE with unlimited time precision. We discuss the formal and novel properties of the new iKESD approaches and how to optimize computational methods and determine parameters for practical applications. The method is specifically applied to the nonequilibrium MD simulation of vibrational relaxation of the OD stretch mode in a hydrated HOD molecule by employing a hybrid quantum mechanical/molecular mechanical (QM/MM) potential. We directly compare the computational results with the OD band population relaxation time profiles extracted from the IR pump-probe measurements for 5% HOD in water. The calculated iKESD yields the OD bond relaxation time scale ∼30% larger than the experimental value, and this decay is largely frequency-independent if the classical anharmonicity is accounted for. From the integrated iKESD over intra- and intermolecular bands, the major energy transfer pathways were found to involve the HOD bending mode in the subps range, then the internal modes of the solvent until 5 ps after excitation, and eventually the solvent intermolecular modes. Also, strong hydrogen
Silva, T.; Grofulović, M.; Klarenaar, B. L. M.; Morillo-Candas, A. S.; Guaitella, O.; Engeln, R.; Pintassilgo, C. D.; Guerra, V.
2018-01-01
A kinetic model describing the time evolution of ∼70 individual CO2(X1Σ+) vibrational levels during the afterglow of a pulsed DC glow discharge is developed in order to contribute to the understanding of vibrational energy transfer in CO2 plasmas. The results of the simulations are compared against in situ Fourier transform infrared spectroscopy data obtained in a pulsed DC glow discharge and its afterglow at pressures of a few Torr and discharge currents of around 50 mA. The very good agreement between the model predictions and the experimental results validates the kinetic scheme considered here and the corresponding vibration–vibration and vibration–translation rate coefficients. In this sense, it establishes a reaction mechanism for the vibrational kinetics of these CO2 energy levels and offers a firm basis to understand the vibrational relaxation in CO2 plasmas. It is shown that first-order perturbation theories, namely, the Schwartz–Slawsky–Herzfeld and Sharma–Brau methods, provide a good description of CO2 vibrations under low excitation regimes.
Kinetic modelling of NH3 production in N2-H2 non-equilibrium atmospheric-pressure plasma catalysis
Hong, Jungmi; Pancheshnyi, Sergey; Tam, Eugene; Lowke, John J.; Prawer, Steven; Murphy, Anthony B.
2017-04-01
Detailed plasma kinetics modelling is presented of a low electron energy N2-H2 atmospheric-pressure discharge for ammonia synthesis. The model considers both electron and vibrational kinetics, including excited N2(X, ν) and H2(X, ν) species, and surface reactions such as those occurring by the Eley-Rideal and Langmuir-Hinshelwood mechanisms and dissociative adsorption of molecules. The predictions of the model are compared to the measured NH3 concentration produced in a packed-bed dielectric barrier discharge reactor as a function of process parameters such as input gas composition and applied voltage. Unlike typical low-pressure plasma processes, under the plasma conditions considered here (reduced electric field E/N in the range 30-50 Td, electron density of the order 108 cm-3), the influence of ions is not significant. Instead, the reactions between radicals and vibrationally-excited molecules are more important. The active species in surface reactions, such as surface-adsorbed atomic nitrogen N(s) or hydrogen H(s), are found to be predominantly generated through the dissociative adsorption of molecules, in contrast to previously proposed mechanisms for plasma catalysis under low-pressure, high-E/N conditions. It is found that NH radicals play an important role at the early stages of the NH3-generation process, NH in turn is produced from N and H2(ν). Electron kinetics is shown to play a critical role in the molecular dissociation and vibrational excitation reactions that produce these precursors. It is further found that surface-adsorbed atomic hydrogen H(s) takes a leading role in the formation of NH3, which is another significant difference from the mechanisms in conventional thermo-chemical processes and low-pressure plasmas. The applied voltage, the gas temperature, the N2:H2 ratio in the input gas mixture and the reactivity of the surface material are all found to influence the ammonia production. The calculated results reproduce the observed trends in
Grima, R
2010-07-21
Chemical master equations provide a mathematical description of stochastic reaction kinetics in well-mixed conditions. They are a valid description over length scales that are larger than the reactive mean free path and thus describe kinetics in compartments of mesoscopic and macroscopic dimensions. The trajectories of the stochastic chemical processes described by the master equation can be ensemble-averaged to obtain the average number density of chemical species, i.e., the true concentration, at any spatial scale of interest. For macroscopic volumes, the true concentration is very well approximated by the solution of the corresponding deterministic and macroscopic rate equations, i.e., the macroscopic concentration. However, this equivalence breaks down for mesoscopic volumes. These deviations are particularly significant for open systems and cannot be calculated via the Fokker-Planck or linear-noise approximations of the master equation. We utilize the system-size expansion including terms of the order of Omega(-1/2) to derive a set of differential equations whose solution approximates the true concentration as given by the master equation. These equations are valid in any open or closed chemical reaction network and at both the mesoscopic and macroscopic scales. In the limit of large volumes, the effective mesoscopic rate equations become precisely equal to the conventional macroscopic rate equations. We compare the three formalisms of effective mesoscopic rate equations, conventional rate equations, and chemical master equations by applying them to several biochemical reaction systems (homodimeric and heterodimeric protein-protein interactions, series of sequential enzyme reactions, and positive feedback loops) in nonequilibrium steady-state conditions. In all cases, we find that the effective mesoscopic rate equations can predict very well the true concentration of a chemical species. This provides a useful method by which one can quickly determine the
Non-dissipative effects in nonequilibrium systems
Maes, Christian
2018-01-01
This book introduces and discusses both the fundamental aspects and the measurability of applications of time-symmetric kinetic quantities, outlining the features that constitute the non-dissipative branch of non-equilibrium physics. These specific features of non-equilibrium dynamics have largely been ignored in standard statistical mechanics texts. This introductory-level book offers novel material that does not take the traditional line of extending standard thermodynamics to the irreversible domain. It shows that although stationary dissipation is essentially equivalent with steady non-equilibrium and ubiquitous in complex phenomena, non-equilibrium is not determined solely by the time-antisymmetric sector of energy-entropy considerations. While this should not be very surprising, this book provides timely, simple reminders of the role of time-symmetric and kinetic aspects in the construction of non-equilibrium statistical mechanics.
International Nuclear Information System (INIS)
Temizer, Umuet; Keskin, Mustafa; Canko, Osman
2009-01-01
The dynamic behavior of a two-sublattice spin-1 Ising model with a crystal-field interaction (D) in the presence of a time-varying magnetic field on a hexagonal lattice is studied by using the Glauber-type stochastic dynamics. The lattice is formed by alternate layers of spins σ=1 and S=1. For this spin arrangement, any spin at one lattice site has two nearest-neighbor spins on the same sublattice, and four on the other sublattice. The intersublattice interaction is antiferromagnetic. We employ the Glauber transition rates to construct the mean-field dynamical equations. Firstly, we study time variations of the average magnetizations in order to find the phases in the system, and the temperature dependence of the average magnetizations in a period, which is also called the dynamic magnetizations, to obtain the dynamic phase transition (DPT) points as well as to characterize the nature (continuous and discontinuous) of transitions. Then, the behavior of the total dynamic magnetization as a function of the temperature is investigated to find the types of the compensation behavior. Dynamic phase diagrams are calculated for both DPT points and dynamic compensation effect. Phase diagrams contain the paramagnetic (p) and antiferromagnetic (af) phases, the p+af and nm+p mixed phases, nm is the non-magnetic phase, and the compensation temperature or the L-type behavior that strongly depend on the interaction parameters. For D 0 >3.8275, H 0 is the magnetic field amplitude, the compensation effect does not appear in the system.
Energy Technology Data Exchange (ETDEWEB)
Temizer, Umuet [Department of Physics, Bozok University, 66100 Yozgat (Turkey); Keskin, Mustafa [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)], E-mail: keskin@erciyes.edu.tr; Canko, Osman [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)
2009-10-15
The dynamic behavior of a two-sublattice spin-1 Ising model with a crystal-field interaction (D) in the presence of a time-varying magnetic field on a hexagonal lattice is studied by using the Glauber-type stochastic dynamics. The lattice is formed by alternate layers of spins {sigma}=1 and S=1. For this spin arrangement, any spin at one lattice site has two nearest-neighbor spins on the same sublattice, and four on the other sublattice. The intersublattice interaction is antiferromagnetic. We employ the Glauber transition rates to construct the mean-field dynamical equations. Firstly, we study time variations of the average magnetizations in order to find the phases in the system, and the temperature dependence of the average magnetizations in a period, which is also called the dynamic magnetizations, to obtain the dynamic phase transition (DPT) points as well as to characterize the nature (continuous and discontinuous) of transitions. Then, the behavior of the total dynamic magnetization as a function of the temperature is investigated to find the types of the compensation behavior. Dynamic phase diagrams are calculated for both DPT points and dynamic compensation effect. Phase diagrams contain the paramagnetic (p) and antiferromagnetic (af) phases, the p+af and nm+p mixed phases, nm is the non-magnetic phase, and the compensation temperature or the L-type behavior that strongly depend on the interaction parameters. For D<2.835 and H{sub 0}>3.8275, H{sub 0} is the magnetic field amplitude, the compensation effect does not appear in the system.
DEFF Research Database (Denmark)
Durhuus, Bergfinnur Jøgvan; Napolitano, George Maria
2012-01-01
The Ising model on a class of infinite random trees is defined as a thermodynamiclimit of finite systems. A detailed description of the corresponding distribution of infinite spin configurations is given. As an application, we study the magnetization properties of such systems and prove that they......The Ising model on a class of infinite random trees is defined as a thermodynamiclimit of finite systems. A detailed description of the corresponding distribution of infinite spin configurations is given. As an application, we study the magnetization properties of such systems and prove...... that they exhibit no spontaneous magnetization. Furthermore, the values of the Hausdorff and spectral dimensions of the underlying trees are calculated and found to be, respectively,¯dh =2 and¯ds = 4/3....
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.
Anisotropic nonequilibrium hydrodynamic attractor
Strickland, Michael; Noronha, Jorge; Denicol, Gabriel S.
2018-02-01
We determine the dynamical attractors associated with anisotropic hydrodynamics (aHydro) and the DNMR equations for a 0 +1 d conformal system using kinetic theory in the relaxation time approximation. We compare our results to the nonequilibrium attractor obtained from the exact solution of the 0 +1 d conformal Boltzmann equation, the Navier-Stokes theory, and the second-order Mueller-Israel-Stewart theory. We demonstrate that the aHydro attractor equation resums an infinite number of terms in the inverse Reynolds number. The resulting resummed aHydro attractor possesses a positive longitudinal-to-transverse pressure ratio and is virtually indistinguishable from the exact attractor. This suggests that an optimized hydrodynamic treatment of kinetic theory involves a resummation not only in gradients (Knudsen number) but also in the inverse Reynolds number. We also demonstrate that the DNMR result provides a better approximation of the exact kinetic theory attractor than the Mueller-Israel-Stewart theory. Finally, we introduce a new method for obtaining approximate aHydro equations which relies solely on an expansion in the inverse Reynolds number. We then carry this expansion out to the third order, and compare these third-order results to the exact kinetic theory solution.
Multicritical dynamics for the +- J Ising Model
Ozeki, Y
1998-01-01
Exact dynamical properties are discussed for the +- J Ising model around the multicritical point (MCP). It is found that the relation of relaxations between the non-equilibrium remanent magnetization m(t) and the equilibrium autocorrelation function q(t) at the MCP is different from that at the pure critical point. The dynamic critical exponent for the ferromagnetic ordering defined by m(t)approx t sup - suplambda sup sub m and that for the spin glass ordering defined by q(t)approx t sup - suplambda sup sub q become identical at the MCP. Accurate numerical calculations for them are performed in two and three dimensions using the non-equilibrium relaxation analysis. The MCP is located at p sub m sub c =0.8872+-0.0008 and the exponent is estimated as lambda sub m =lambda sub q =0.021+-0.001 for the square lattice. They are estimated as p sub m sub c =0.7673+-0.0003 and lambda sub m =lambda sub q =0.090+-0.003 for the simple cubic lattice. (author)
Integrated Support Environment (ISE) Laboratory
Federal Laboratory Consortium — Purpose:The Integrated Support Environment (ISE) Laboratory serves the fleet, in-service engineers, logisticians and program management offices by automatically and...
Effects of vacancies on overshooting in nonequilibrium ordering processes
DEFF Research Database (Denmark)
Gilhøj, Henriette; Jeppesen, Claus; Mouritsen, Ole G.
1996-01-01
The effects of annealed site dilution on the nonequilibrium ordering process in the two-dimensional Ising model with a nonconserved order parameter have been studied using Monte Carlo simulation. It is found that the transient development of a local order that is larger than the equilibrium order...... (overshooting), as recently reported in the pure Ising model [H. Gilhoj, C. Jeppesen, and O. G; Mouritsen, Phys. Rev. Lett. 75, 3305 (1995)], persists in the dilute model and is accompanied by a depletion of the vacancies within the ordered domains....
Falero Folgoso, Alfonso
2006-01-01
Este ensayo ofrece una peregrinación virtual al santuario de Ise. Conforme se desarrolla el itinerario, el lector va recibiendo una lección de religión japonesa o de historia del sintoísmo. En shinto, por el contrario de lo que podemos considerar religiones de iluminación fundadas por un líder carismático, como es el caso del cristianismo, el islam o el budismo, no existe una tradición ascética ni mística, y en su lugar hallamos un profundo sentido de lo sagrado expresado en una gran tradici...
Thermodynamic model of nonequilibrium phase transitions.
Martyushev, L M; Konovalov, M S
2011-07-01
Within the scope of a thermodynamic description using the maximum entropy production principle, transitions from one nonequilibrium (kinetic) regime to another are considered. It is shown that in the case when power-law dependencies of thermodynamic flux on force are similar for two regimes, only a transition accompanied by a positive jump of thermodynamic flux is possible between them. It is found that the difference in powers of the dependencies of thermodynamic fluxes on forces results in a number of interesting nonequilibrium transitions between kinetic regimes, including the reentrant one with a negative jump of thermodynamic flux.
Maximum caliber inference and the stochastic Ising model
Cafaro, Carlo; Ali, Sean Alan
2016-11-01
We investigate the maximum caliber variational principle as an inference algorithm used to predict dynamical properties of complex nonequilibrium, stationary, statistical systems in the presence of incomplete information. Specifically, we maximize the path entropy over discrete time step trajectories subject to normalization, stationarity, and detailed balance constraints together with a path-dependent dynamical information constraint reflecting a given average global behavior of the complex system. A general expression for the transition probability values associated with the stationary random Markov processes describing the nonequilibrium stationary system is computed. By virtue of our analysis, we uncover that a convenient choice of the dynamical information constraint together with a perturbative asymptotic expansion with respect to its corresponding Lagrange multiplier of the general expression for the transition probability leads to a formal overlap with the well-known Glauber hyperbolic tangent rule for the transition probability for the stochastic Ising model in the limit of very high temperatures of the heat reservoir.
Nonequilibrium molecular dynamics
Wm.G.Hoover; C.G.Hoover
2005-01-01
Nonequilibrium Molecular Dynamics is a powerful simulation tool. Like its equilibrium cousin, nonequilibrium molecular dynamics is based on time-reversible equations of motion. But unlike conventional mechanics, nonequilibrium molecular dynamics provides a consistent microscopic basis for the irreversible macroscopic Second Law of Thermodynamics. We recall here how fast computers led to the development of nonequilibrium molecular dynamics from the statistical mechanics of the 1950s. Computer-...
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....
Vlad; Ross; Schneider
2000-08-01
A characteristic functional approach is suggested for Levy diffusion in disordered systems with external force fields. We study the overdamped motion of an ensemble of independent particles and assume that the force acting upon one particle is made up of two additive components: a linear term generated by a harmonic potential and a second term generated by the interaction with the disordered system. The stochastic properties of the second term are evaluated by using Huber's approach to complex relaxation [Phys. Rev. B 31, 6070 (1985)]. We assume that the interaction between a moving particle and the environment can be expressed by the contribution of a large number of relaxation channels, each channel having a very small probability of being open and obeying Poisson statistics. Two types of processes are investigated: (a) Levy diffusion with static disorder for which the fluctuations of the random force are frozen and last forever and (b) diffusion with strong dynamic disorder and independent Levy fluctuations (Levy white noise). In both cases we show that the probability distribution of the position of a diffusing particle tends towards a stationary nonequilibrium form. The characteristic functional of concentration fluctuations is evaluated in both cases by using the theory of random point processes. For large times the fluctuations of the concentration field are stationary and the corresponding probability density functional can be evaluated analytically. In this limit the fluctuations depend on the distribution of the total number of particles but are independent of the initial positions of the particles. We show that the logarithm of the stationary probability functional plays the role of a nonequilibrium thermodynamic potential, which has a structure similar to the Helmholtz free energy in equilibrium thermodynamics: it is made up of the sum of an energetic component, depending on the external mechanical potential, and of an entropic component, depending on
High-temperature expansion for nonequilibrium steady states in driven lattice gases.
Lefevere, Raphael; Tasaki, Hal
2005-05-27
We develop a controlled high-temperature expansion for nonequilibrium steady states of the driven lattice gas, the "Ising model" for nonequilibrium physics. We represent the steady state as P(eta) alpha e(-betaH(eta)-psi(eta)) and evaluate the lowest order contribution to the nonequilibrium effective interaction psi(eta). We see that, in dimensions d > or = 2, all models with nonsingular transition rates yield the same summable psi(eta), suggesting the possibility of describing the state as a Gibbs state similar to equilibrium. The models with the Metropolis rule show exceptional behavior.
Nonequilibrium theory of flame propagation
International Nuclear Information System (INIS)
Merzhanov, A.G.
1995-01-01
The nonequilibrium theory of flame propagation is considered as applied to the following three processes of wave propagation: the combustion waves of the second kind, the combustion waves with broad reaction zones, and the combustion waves with chemical stages. Kinetic and combustion wave parameters are presented for different in composition mixtures of boron and transition metals, such as Zr, Hf, Ti, Nb, Ta, Mo, as well as for the Ta-N, Zr-C-H, Nb-B-O systems to illustrate specific features of the above-mentioned processes [ru
Nonequilibrium molecular dynamics
Directory of Open Access Journals (Sweden)
Wm.G.Hoover
2005-01-01
Full Text Available Nonequilibrium Molecular Dynamics is a powerful simulation tool. Like its equilibrium cousin, nonequilibrium molecular dynamics is based on time-reversible equations of motion. But unlike conventional mechanics, nonequilibrium molecular dynamics provides a consistent microscopic basis for the irreversible macroscopic Second Law of Thermodynamics. We recall here how fast computers led to the development of nonequilibrium molecular dynamics from the statistical mechanics of the 1950s. Computer-based theories facilitated revolutionary breakthroughs in understanding during the 1970s and 1980s. The new idea key to the nonequilibrium development was the replacement of the external thermodynamic environment by internal control variables. The new variables can control temperature, or pressure, or energy, or stress, or heat flux. These thermostat, barostat, ergostat, ... variables can control and maintain nonequilibrium states. We illustrate the methods with a simple example well-suited to student exploration, a thermostatted harmonic oscillator exposed to a temperature gradient.
Overshooting Effects in Nonequilibrium Ordering Dynamics
DEFF Research Database (Denmark)
Gilhøj, Henriette; Jeppesen, Claus; Mouritsen, Ole G.
1995-01-01
Using Monte Carlo simulation on the simplest possible statistical mechanical model, the two-dimensional, nonconserved kinetic Ising model that undergoes an order-disorder transition, we show that the local order of the ordering domains, subsequent to a temperature quench, transiently overshoots t...... the value of the equilibrium order parameter. It is argued that overshooting is a generic effect in ordering dynamics, independent of the detailed dynamics and the conservation laws in effect....
Dynamics of the two-dimensional directed Ising model in the paramagnetic phase
Godrèche, C.; Pleimling, M.
2014-05-01
We consider the nonconserved dynamics of the Ising model on the two-dimensional square lattice, where each spin is influenced preferentially by its east and north neighbours. The single-spin flip rates are such that the stationary state is Gibbsian with respect to the usual ferromagnetic Ising Hamiltonian. We show the existence, in the paramagnetic phase, of a dynamical transition between two regimes of violation of the fluctuation-dissipation theorem in the nonequilibrium stationary state: a regime of weak violation where the stationary fluctuation-dissipation ratio is finite, when the asymmetry parameter is less than a threshold value, and a regime of strong violation where this ratio vanishes asymptotically above the threshold. This study suggests that this novel kind of dynamical transition in nonequilibrium stationary states, already found for the directed Ising chain and the spherical model with asymmetric dynamics, might be quite general. In contrast with the latter models, the equal-time correlation function for the two-dimensional directed Ising model depends on the asymmetry.
Nonideal plasmas as non-equilibrium media
International Nuclear Information System (INIS)
Morozov, I V; Norman, G E; Valuev, A A; Valuev, I A
2003-01-01
Various aspects of the collective behaviour of non-equilibrium nonideal plasmas are studied. The relaxation of kinetic energy to the equilibrium state is simulated by the molecular dynamics (MD) method for two-component non-degenerate strongly non-equilibrium plasmas. The initial non-exponential stage, its duration and the subsequent exponential stage of the relaxation process are studied for a wide range of ion charge, nonideality parameter and ion mass. A simulation model of the nonideal plasma excited by an electron beam is proposed. An approach is developed to calculate the dynamic structure factor in non-stationary conditions. Instability increment is obtained from MD simulations
Tricriticality in crossed Ising chains
Cary, T.; Singh, R. R. P.; Scalettar, R. T.
2017-10-01
We explore the phase diagram of Ising spins on one-dimensional chains that criss-cross in two perpendicular directions and that are connected by interchain couplings. This system is of interest as a simpler, classical analog of a quantum Hamiltonian that has been proposed as a model of magnetic behavior in Nb12O29 and also, conceptually, as a geometry that is intermediate between one and two dimensions. Using mean-field theory as well as Metropolis Monte Carlo and Wang-Landau simulations, we locate quantitatively the boundaries of four ordered phases. Each becomes an effective Ising model with unique effective couplings at large interchain coupling. Away from this limit, we demonstrate nontrivial critical behavior, including tricritical points that separate first- and second-order phase transitions. Finally, we present evidence that this model belongs to the two-dimensional Ising universality class.
Fermions as generalized Ising models
Directory of Open Access Journals (Sweden)
C. Wetterich
2017-04-01
Full Text Available We establish a general map between Grassmann functionals for fermions and probability or weight distributions for Ising spins. The equivalence between the two formulations is based on identical transfer matrices and expectation values of products of observables. The map preserves locality properties and can be realized for arbitrary dimensions. We present a simple example where a quantum field theory for free massless Dirac fermions in two-dimensional Minkowski space is represented by an asymmetric Ising model on a euclidean square lattice.
Quantum kinetic Heisenberg models: a unique dynamics
International Nuclear Information System (INIS)
Timonen, J.; Pilling, D.J.; Bullough, R.K.
1986-01-01
We suggest that the dynamics Glauber embodied in his kinetic Ising model can be introduced similarly and in an apparently unique way, into the quantum statistical mechanics of the quantum-integrable models like the Heisenberg, sine-Gordon and Massive Thirring models. The latter may suggest an extension of the theory to unique kinetic Ising models in two dimensions. The kinetic repulsive bose gas which is studied in detail in the steady state seems to be a solvable kinetic model. (author)
Nonequilibrium statistical physics a modern perspective
Livi, Roberto
2017-01-01
Statistical mechanics has been proven to be successful at describing physical systems at thermodynamic equilibrium. Since most natural phenomena occur in nonequilibrium conditions, the present challenge is to find suitable physical approaches for such conditions: this book provides a pedagogical pathway that explores various perspectives. The use of clear language, and explanatory figures and diagrams to describe models, simulations and experimental findings makes the book a valuable resource for undergraduate and graduate students, and also for lecturers organizing teaching at varying levels of experience in the field. Written in three parts, it covers basic and traditional concepts of nonequilibrium physics, modern aspects concerning nonequilibrium phase transitions, and application-orientated topics from a modern perspective. A broad range of topics is covered, including Langevin equations, Levy processes, directed percolation, kinetic roughening and pattern formation.
Spectral methods applied to Ising models
International Nuclear Information System (INIS)
DeFacio, B.; Hammer, C.L.; Shrauner, J.E.
1980-01-01
Several applications of Ising models are reviewed. A 2-d Ising model is studied, and the problem of describing an interface boundary in a 2-d Ising model is addressed. Spectral methods are used to formulate a soluble model for the surface tension of a many-Fermion system
Microcanonical simulation of Ising systems
International Nuclear Information System (INIS)
Bhanot, G.; Neuberger, H.
1984-01-01
Numerical simulations of the microcanonical ensemble for Ising systems are described. We explain how to write very fast algorithms for such simulations, relate correlations measured in the microcanonical ensemble to those in the canonical ensemble and discuss criteria for convergence and ergodicity. (orig.)
Nonomura, Yoshihiko; Tomita, Yusuke
2015-03-01
Recently we have found that the nonequilibrium relaxation from the perfectly-ordered state of the 2D and 3D Ising models in cluster algorithms shows nontrivial stretched-exponential decay at the transition temperature. Similar nontrivial nonequilibrium critical relaxation is also observed in the 2D XY, 3D XY and 3D Heisenberg models; simple exponential decay in these cases. In order to confirm these behaviors and evaluate the scaling form precisely and robustly, we have proposed a universal scaling procedure to connect nonequilibrium and equilibrium behaviors continuously. For example, when the critical relaxation of the average magnetization of a system with linear size L is observed in local-update algorithms, this quantity decays in a power law in the early-stage relaxation with ~t - β / (zν) and converges to the critical magnetization mc (L) ~L - β / ν in equilibrium. Then, when L β / ν is plotted versus tL-z , data for various system sizes are scaled on a single curve in the whole parameter region. This procedure also holds for the cases with cluster algorithms.
Nonequilibrium molecular dynamics
Energy Technology Data Exchange (ETDEWEB)
Hoover, W.G. (California Univ., Davis, CA (USA). Dept. of Applied Science Lawrence Livermore National Lab., CA (USA))
1990-11-01
The development of nonequilibrium molecular dynamics is described, with emphasis on massively-parallel simulations involving the motion of millions, soon to be billions, of atoms. Corresponding continuum simulations are also discussed. 14 refs., 8 figs.
Sampling rare events in nonequilibrium and nonstationary systems.
Berryman, Joshua T; Schilling, Tanja
2010-12-28
Although many computational methods for rare event sampling exist, this type of calculation is not usually practical for general nonequilibrium conditions, with macroscopically irreversible dynamics and away from both stationary and metastable states. A novel method for calculating the time-series of the probability of a rare event is presented which is designed for these conditions. The method is validated for the cases of the Glauber-Ising model under time-varying shear flow, the Kawasaki-Ising model after a quench into the region between nucleation dominated and spinodal decomposition dominated phase change dynamics, and the parallel open asymmetric exclusion process. The method requires a subdivision of the phase space of the system: it is benchmarked and found to scale well for increasingly fine subdivisions, meaning that it can be applied without detailed foreknowledge of the physically important reaction pathways.
Frustrated lattices of Ising chains
International Nuclear Information System (INIS)
Kudasov, Yurii B; Korshunov, Aleksei S; Pavlov, V N; Maslov, Dmitrii A
2012-01-01
The magnetic structure and magnetization dynamics of systems of plane frustrated Ising chain lattices are reviewed for three groups of compounds: Ca 3 Co 2 O 6 , CsCoCl 3 , and Sr 5 Rh 4 O 12 . The available experimental data are analyzed and compared in detail. It is shown that a high-temperature magnetic phase on a triangle lattice is normally and universally a partially disordered antiferromagnetic (PDA) structure. The diversity of low-temperature phases results from weak interactions that lift the degeneracy of a 2D antiferromagnetic Ising model on the triangle lattice. Mean-field models, Monte Carlo simulation results on the static magnetization curve, and results on slow magnetization dynamics obtained with Glauber's theory are discussed in detail. (reviews of topical problems)
Barthel, Thomas; De Bacco, Caterina; Franz, Silvio
2018-01-01
We introduce and apply an efficient method for the precise simulation of stochastic dynamical processes on locally treelike graphs. Networks with cycles are treated in the framework of the cavity method. Such models correspond, for example, to spin-glass systems, Boolean networks, neural networks, or other technological, biological, and social networks. Building upon ideas from quantum many-body theory, our approach is based on a matrix product approximation of the so-called edge messages—conditional probabilities of vertex variable trajectories. Computation costs and accuracy can be tuned by controlling the matrix dimensions of the matrix product edge messages (MPEM) in truncations. In contrast to Monte Carlo simulations, the algorithm has a better error scaling and works for both single instances as well as the thermodynamic limit. We employ it to examine prototypical nonequilibrium Glauber dynamics in the kinetic Ising model. Because of the absence of cancellation effects, observables with small expectation values can be evaluated accurately, allowing for the study of decay processes and temporal correlations.
Rosaria Marraffino
2014-01-01
CRISTAL-ISE, a new version of the CRISTAL data tracking software developed at CERN in the late 90s, has recently been launched under an open source license. The potential for applications of this free software outside particle physics covers several areas, including medicine, where CRISTAL-ISE helps to monitor the progress of Alzheimer’s Disease. CMS lead tungstate crystals produced in Russia. CRISTAL began as a collaboration between CERN, the University of the West of England (UWE) and the Centre National de la Recherche Scientifique (CNRS).“At the time of CMS’s construction, there was a need for software able to track the production of the almost 80,000 lead tungstate crystals for the Electromagnetic Calorimeter,” explains Andrew Branson, member of the CMS collaboration and Technical Coordinator of the CRISTAL-ISE project. “We started to develop the software when we didn’t yet know the detector testing procedures to go through,...
Phase transitions, scaling and renormalisation in nonequilibrium systems
Hanney, T E
2002-01-01
critical fixed point. Extensions to include disorder, to higher dimensions, and to other models are all possible using the method. Using the mapping between the Master equation and the Schroedinger equation in imaginary time, this scaling procedure is rephrased as a new blocking for quantum-spin systems. Existing methods of real space renormalisation for quantum-spin systems are applied to a variety of previously unconsidered exclusion models. In particular, it is shown how such techniques can be applied to models whose dynamics conserve particle number. Finally, by applying a Trotter decomposition to the quantum-spin Hamiltonian, it is shown how a nonequilibrium exclusion model can be written in terms of a classical Hamiltonian for Ising spin variables in one higher dimension. This mapping admits the possibility rescaling time and length scales separately, and with reference to a specific update mechanism. Nonequilibrium phase transitions and critical phenomena in simple lattice-based interacting particle mo...
Roldin, P.; Eriksson, A. C.; Nordin, E. Z.; Hermansson, E.; Mogensen, D.; Rusanen, A.; Boy, M.; Swietlicki, E.; Svenningsson, B.; Zelenyuk, A.; Pagels, J.
2014-08-01
We have developed the novel Aerosol Dynamics, gas- and particle-phase chemistry model for laboratory CHAMber studies (ADCHAM). The model combines the detailed gas-phase Master Chemical Mechanism version 3.2 (MCMv3.2), an aerosol dynamics and particle-phase chemistry module (which considers acid-catalysed oligomerization, heterogeneous oxidation reactions in the particle phase and non-ideal interactions between organic compounds, water and inorganic ions) and a kinetic multilayer module for diffusion-limited transport of compounds between the gas phase, particle surface and particle bulk phase. In this article we describe and use ADCHAM to study (1) the evaporation of liquid dioctyl phthalate (DOP) particles, (2) the slow and almost particle-size-independent evaporation of α-pinene ozonolysis secondary organic aerosol (SOA) particles, (3) the mass-transfer-limited uptake of ammonia (NH3) and formation of organic salts between ammonium (NH4+) and carboxylic acids (RCOOH), and (4) the influence of chamber wall effects on the observed SOA formation in smog chambers. ADCHAM is able to capture the observed α-pinene SOA mass increase in the presence of NH3(g). Organic salts of ammonium and carboxylic acids predominantly form during the early stage of SOA formation. In the smog chamber experiments, these salts contribute substantially to the initial growth of the homogeneously nucleated particles. The model simulations of evaporating α-pinene SOA particles support the recent experimental findings that these particles have a semi-solid tar-like amorphous-phase state. ADCHAM is able to reproduce the main features of the observed slow evaporation rates if the concentration of low-volatility and viscous oligomerized SOA material at the particle surface increases upon evaporation. The evaporation rate is mainly governed by the reversible decomposition of oligomers back to monomers. Finally, we demonstrate that the mass-transfer-limited uptake of condensable organic compounds
First-order phase transition in a 2D random-field Ising model with conflicting dynamics
Crokidakis, N.
2009-01-01
The effects of locally random magnetic fields are considered in a nonequilibrium Ising model defined on a square lattice with nearest-neighbors interactions. In order to generate the random magnetic fields, we have considered random variables $\\{h\\}$ that change randomly with time according to a double-gaussian probability distribution, which consists of two single gaussian distributions, centered at $+h_{o}$ and $-h_{o}$, with the same width $\\sigma$. This distribution is very general, and c...
Limiting processes in non-equilibrium classical statistical mechanics
International Nuclear Information System (INIS)
Jancel, R.
1983-01-01
After a recall of the basic principles of the statistical mechanics, the results of ergodic theory, the transient at the thermodynamic limit and his link with the transport theory near the equilibrium are analyzed. The fundamental problems put by the description of non-equilibrium macroscopic systems are investigated and the kinetic methods are stated. The problems of the non-equilibrium statistical mechanics are analyzed: irreversibility and coarse-graining, macroscopic variables and kinetic description, autonomous reduced descriptions, limit processes, BBGKY hierarchy, limit theorems [fr
Ising models and soliton equations
International Nuclear Information System (INIS)
Perk, J.H.H.; Au-Yang, H.
1985-01-01
Several new results for the critical point of correlation functions of the Hirota equation are derived within the two-dimensional Ising model. The recent success of the conformal-invariance approach in the determination of a critical two-spin correration function is analyzed. The two-spin correlation function is predicted to be rotationally invariant and to decay with a power law in this approach. In the approach suggested here systematic corrections due to the underlying lattice breaking the rotational invariance are obtained
Non-Equilibrium Thermodynamics of Self-Replicating Protocells
DEFF Research Database (Denmark)
Fellermann, Harold; Corominas-Murtra, Bernat; Hansen, Per Lyngs
2018-01-01
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....
A novel approach to Ising problems
Hoede, C.; Zandvliet, Henricus J.W.
In this note we discuss some of the recent remarks on the solvability of Ising problems. These remarks tend to a conclusion that it is likely that some Ising problems, for example that of the simple cubic lattice, are essentially unsolvable. One type of argument relates such problems to the theory
Entrepreneurial Leapfrogging in the Context of ISE
DEFF Research Database (Denmark)
Li, Peter
2013-01-01
-movers. The cross-fertilization between such two research streams provides a great opportunity to shed light on their link toward an interdisciplinary domain of international strategic entrepreneurship (ISE). This article will develop an integrative typology of global innovations as well as a dynamic model...... of entrepreneurial leapfrogging as the initial building blocks of ISE....
ISING MODEL OF CHORIOCAPILLARIS FLOW.
Spaide, Richard F
2018-01-01
To develop a mathematical model of local blood flow in the choriocapillaris using an Ising model. A JavaScript Ising model was used to create images that emulated the development of signal voids as would be seen in optical coherence tomography angiography of the choriocapillaris. The model was produced by holding the temperature near criticality and varying the field strength. Individual frames were evaluated, and a movie video was created to show the hypothetical development of flow-related signal voids over a lifetime. Much the same as actual choriocapillaris images in humans, the model of flow-related signal voids followed a power-law distribution. The slope and intercept both decreased with age, as is seen in human subjects. This model is a working hypothesis, and as such can help predict system characteristics, evaluate conclusions drawn from studies, suggest new research questions, and provide a way of obtaining an estimate of behavior in which experimental data are not yet available. It may be possible to understand choriocapillaris blood flow in health and disease states by determining by observing deviations from an expected model.
Nonequilibrium thermodynamics of nucleation
Schweizer, M.; Sagis, L.M.C.
2014-01-01
We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a
Domain growth by isothermal aging in 3D Ising and Heisenberg spin glasses.
Jönsson, P E; Yoshino, H; Nordblad, P; Aruga Katori, H; Ito, A
2002-06-24
Nonequilibrium dynamics of three-dimensional model spin glasses, the Ising system Fe0.50Mn0.50TiO3 and the Heisenberg-like system Ag(11 at % Mn), has been investigated by measurements of the isothermal time decay of the low frequency ac susceptibility after a quench from the paramagnetic to the spin-glass phase. It is found that the relaxation data measured at different temperatures can be scaled according to predictions from the droplet scaling model, provided that critical fluctuations are accounted for in the analyses.
Power laws in Ising nanostripes
International Nuclear Information System (INIS)
Drzewinski, A.; Sznajd, J.; Szota, K.
2005-01-01
The results of high accuracy density-matrix renormalization-group calculations for infinite Ising stripes of finite widths 100 ≤ L ≤ 400 are presented. It is shown that in the presence of the small external magnetic field the infinite system critical power laws can be observed for L of order hundreds nm. The single power law describes the field dependence of the magnetization or the longitudinal correlation length only on the infinite system critical isotherm independently of the value of L. The approximate power law which describes how the magnetization varies with a distance from the infinite system critical point for several directions in the plane (temperature, external field) is also studied. (author)
DEFF Research Database (Denmark)
Roudi, Yasser; Tyrcha, Joanna; Hertz, John
2009-01-01
this and reflects intrinsic properties of the network. Finally, we study the quality of these models by comparing their entropies with that of the data. We find that they perform well for small subsets of the neurons in the network, but the fit quality starts to deteriorate as the subset size grows, signalling......(dansk abstrakt findes ikke) We study pairwise Ising models for describing the statistics of multi-neuron spike trains, using data from a simulated cortical network. We explore efficient ways of finding the optimal couplings in these models and examine their statistical properties. To do this, we...... of the Thouless-Anderson-Palmer equations and an approximation proposed by Sessak and Monasson -- are remarkably accurate. Using these approximations for larger subsets of neurons, we find that extracting couplings using data from a subset smaller than the full network tends systematically to overestimate...
On the theory of non-equilibrium hydrodynamic fluctuations
International Nuclear Information System (INIS)
Peletminskij, S.V.; Plokhov, S.S.; Prikhod'ko, V.I.
1981-01-01
Using the method of abbreviated description a microscopic theory of non-equilibrium fluctuations with a great radius of correlations, which permits to study fluctuation kinetics at t>>tausub(r)(tausub(r) is relaxation time) is built. General formula, describing the degree character of approximation to the state of statistical equilibrium of mean values of arbitrary quasilocal operators, are obtained [ru
INTRODUCTION: Nonequilibrium Processes in Plasmas
Petrović, Zoran; Marić, Dragana; Malović, Gordana
2009-07-01
This book aims to give a cross section from a wide range of phenomena that, to different degrees, fall under the heading of non-equilibrium phenomenology. The selection is, of course, biased by the interests of the members of the scientific committee and of the FP6 Project 026328 IPB-CNP Reinforcing Experimental Centre for Non-equilibrium Studies with Application in Nano-technologies, Etching of Integrated Circuits and Environmental Research. Some of the papers included here are texts based on selected lectures presented at the Second International Workshop on Non-equilibrium Processes in Plasmas and Environmental Science. However, this volume is not just the proceedings of that conference as it contains a number of papers from authors that did not attend the conference. The goal was to put together a volume that would cover the interests of the project and support further work. It is published in the Institute of Physics journal Journal of Physics: Conference Series to ensure a wide accessibility of the articles. The texts presented here range from in-depth reviews of the current status and past achievements to progress reports of currently developed experimental devices and recently obtained still unpublished results. All papers have been refereed twice, first when speakers were selected based on their reputation and recently published results, and second after the paper was submitted both by the editorial board and individual assigned referees according to the standards of the conference and of the journal. Nevertheless, we still leave the responsibility (and honours) for the contents of the papers to the authors. The papers in this book are review articles that give a summary of the already published work or present the work in progress that will be published in full at a later date (or both). In the introduction to the first volume, in order to show how far reaching, ubiquitous and important non-equilibrium phenomena are, we claimed that ever since the early
Nonequilibrium behaviors of the three-dimensional Heisenberg model in the Swendsen-Wang algorithm
Nonomura, Yoshihiko; Tomita, Yusuke
2016-01-01
Recently, it was shown [Y. Nonomura, J. Phys. Soc. Jpn. 83, 113001 (2014), 10.7566/JPSJ.83.113001] that the nonequilibrium critical relaxation of the two-dimensional (2D) Ising model from a perfectly ordered state in the Wolff algorithm is described by stretched-exponential decay, and a universal scaling scheme was found to connect nonequilibrium and equilibrium behaviors. In the present study we extend these findings to vector spin models, and the 3D Heisenberg model could be a typical example. To evaluate the critical temperature and critical exponents precisely using the above scaling scheme, we calculate nonequilibrium ordering from the perfectly disordered state in the Swendsen-Wang algorithm, and we find that the critical ordering process is described by stretched-exponential growth with a comparable exponent to that of the 3D X Y model. The critical exponents evaluated in the present study are consistent with those in previous studies.
Statistical mechanics of nonequilibrium liquids
Evans, Denis J; Craig, D P; McWeeny, R
1990-01-01
Statistical Mechanics of Nonequilibrium Liquids deals with theoretical rheology. The book discusses nonlinear response of systems and outlines the statistical mechanical theory. In discussing the framework of nonequilibrium statistical mechanics, the book explains the derivation of a nonequilibrium analogue of the Gibbsian basis for equilibrium statistical mechanics. The book reviews the linear irreversible thermodynamics, the Liouville equation, and the Irving-Kirkwood procedure. The text then explains the Green-Kubo relations used in linear transport coefficients, the linear response theory,
Three representations of the Ising model
Kruis, J.; Maris, G.
2016-01-01
Statistical models that analyse (pairwise) relations between variables encompass assumptions about the underlying mechanism that generated the associations in the observed data. In the present paper we demonstrate that three Ising model representations exist that, although each proposes a distinct
Ising formulations of many NP problems
Lucas, Andrew
2014-02-01
We provide Ising formulations for many NP-complete and NP-hard problems, including all of Karp's 21 NP-complete problems. This collects and extends mappings to the Ising model from partitioning, covering and satisfiability. In each case, the required number of spins is at most cubic in the size of the problem. This work may be useful in designing adiabatic quantum optimization algorithms.
Ising model for packet routing control
International Nuclear Information System (INIS)
Horiguchi, Tsuyoshi; Takahashi, Hideyuki; Hayashi, Keisuke; Yamaguchi, Chiaki
2004-01-01
For packet routing control in computer networks, we propose an Ising model which is defined in order to express competition among a queue length and a distance from a node with a packet to its destination node. By introducing a dynamics for a mean-field value of an Ising spin, we show by computer simulations that effective control of packet routing through priority links is possible
Ising formulations of many NP problems
Directory of Open Access Journals (Sweden)
Andrew eLucas
2014-02-01
Full Text Available We provide Ising formulations for many NP-complete and NP-hard problems, including all of Karp's 21 NP-complete problems. This collects and extends mappings to the Ising model from partitioning, covering and satisfiability. In each case, the required number of spins is at most cubic in the size of the problem. This work may be useful in designing adiabatic quantum optimization algorithms.
Testing ground for fluctuation theorems: The one-dimensional Ising model
Lemos, C. G. O.; Santos, M.; Ferreira, A. L.; Figueiredo, W.
2018-04-01
In this paper we determine the nonequilibrium magnetic work performed on a Ising model and relate it to the fluctuation theorem derived some years ago by Jarzynski. The basic idea behind this theorem is the relationship connecting the free energy difference between two thermodynamic states of a system and the average work performed by an external agent, in a finite time, through nonequilibrium paths between the same thermodynamic states. We test the validity of this theorem by considering the one-dimensional Ising model where the free energy is exactly determined as a function of temperature and magnetic field. We have found that the Jarzynski theorem remains valid for all the values of the rate of variation of the magnetic field applied to the system. We have also determined the probability distribution function for the work performed on the system for the forward and reverse processes and verified that predictions based on the Crooks relation are equally correct. We also propose a method to calculate the lag between the current state of the system and that of the equilibrium based on macroscopic variables. We have shown that the lag increases with the sweeping rate of the field at its final value for the reverse process, while it decreases in the case of the forward process. The lag increases linearly with the size of the chain and with a slope decreasing with the inverse of the rate of variation of the field.
Time Dependent Hartree Fock Equation: Gateway to Nonequilibrium Plasmas
International Nuclear Information System (INIS)
Dufty, James W.
2007-01-01
This is the Final Technical Report for DE-FG02-2ER54677 award 'Time Dependent Hartree Fock Equation - Gateway to Nonequilibrium Plasmas'. Research has focused on the nonequilibrium dynamics of electrons in the presence of ions, both via basic quantum theory and via semi-classical molecular dynamics (MD) simulation. In addition, fundamental notions of dissipative dynamics have been explored for models of grains and dust, and for scalar fields (temperature) in turbulent edge plasmas. The specific topics addressed were Quantum Kinetic Theory for Metallic Clusters, Semi-classical MD Simulation of Plasmas , and Effects of Dissipative Dynamics.
Ising model for distribution networks
Hooyberghs, H.; Van Lombeek, S.; Giuraniuc, C.; Van Schaeybroeck, B.; Indekeu, J. O.
2012-01-01
An elementary Ising spin model is proposed for demonstrating cascading failures (breakdowns, blackouts, collapses, avalanches, etc.) that can occur in realistic networks for distribution and delivery by suppliers to consumers. A ferromagnetic Hamiltonian with quenched random fields results from policies that maximize the gap between demand and delivery. Such policies can arise in a competitive market where firms artificially create new demand, or in a solidarity environment where too high a demand cannot reasonably be met. Network failure in the context of a policy of solidarity is possible when an initially active state becomes metastable and decays to a stable inactive state. We explore the characteristics of the demand and delivery, as well as the topological properties, which make the distribution network susceptible of failure. An effective temperature is defined, which governs the strength of the activity fluctuations which can induce a collapse. Numerical results, obtained by Monte Carlo simulations of the model on (mainly) scale-free networks, are supplemented with analytic mean-field approximations to the geometrical random field fluctuations and the thermal spin fluctuations. The role of hubs versus poorly connected nodes in initiating the breakdown of network activity is illustrated and related to model parameters.
Bonitz, Michael
2016-01-01
This book presents quantum kinetic theory in a comprehensive way. The focus is on density operator methods and on non-equilibrium Green functions. The theory allows to rigorously treat nonequilibrium dynamics in quantum many-body systems. Of particular interest are ultrafast processes in plasmas, condensed matter and trapped atoms that are stimulated by rapidly developing experiments with short pulse lasers and free electron lasers. To describe these experiments theoretically, the most powerful approach is given by non-Markovian quantum kinetic equations that are discussed in detail, including computational aspects.
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
The nonequilibrium molecular dynamics
International Nuclear Information System (INIS)
Hoover, W.G.
1992-03-01
MOLECULAR DYNAMICS has been generalized in order to simulate a variety of NONEQUILIBRIUM systems. This generalization has been achieved by adopting microscopic mechanical definitions of macroscopic thermodynamic and hydrodynamic variables, such as temperature and stress. Some of the problems already treated include rapid plastic deformation, intense heat conduction, strong shockwaves simulation, and far-from-equilibrium phase transformations. Continuing advances in technique and in the modeling of interatomic forces, coupled with qualitative improvements in computer hardware, are enabling such simulations to approximate real-world microscale and nanoscale experiments
Direct comparison of quantum and simulated annealing on a fully connected Ising ferromagnet
Wauters, Matteo M.; Fazio, Rosario; Nishimori, Hidetoshi; Santoro, Giuseppe E.
2017-08-01
We compare the performance of quantum annealing (QA, through Schrödinger dynamics) and simulated annealing (SA, through a classical master equation) on the p -spin infinite range ferromagnetic Ising model, by slowly driving the system across its equilibrium, quantum or classical, phase transition. When the phase transition is second order (p =2 , the familiar two-spin Ising interaction) SA shows a remarkable exponential speed-up over QA. For a first-order phase transition (p ≥3 , i.e., with multispin Ising interactions), in contrast, the classical annealing dynamics appears to remain stuck in the disordered phase, while we have clear evidence that QA shows a residual energy which decreases towards zero when the total annealing time τ increases, albeit in a rather slow (logarithmic) fashion. This is one of the rare examples where a limited quantum speedup, a speedup by QA over SA, has been shown to exist by direct solutions of the Schrödinger and master equations in combination with a nonequilibrium Landau-Zener analysis. We also analyze the imaginary-time QA dynamics of the model, finding a 1 /τ2 behavior for all finite values of p , as predicted by the adiabatic theorem of quantum mechanics. The Grover-search limit p (odd )=∞ is also discussed.
Memory effects and virial corrections in nonequilibrium dense nuclear matter
International Nuclear Information System (INIS)
Morawetz, K.; Roepke, G.
1995-01-01
The aim of the present paper is to close the gap between a kinetic approach including memory and the description of correlated states. It is shown that the first order retardation effects in the kinetic equation leads to the same expression for the correlated density or energy in equilibrium, which is known from the quantum Beth-Uhlenbeck approach. We link the approaches of equilibrium to the kinetic level of description and generalize it by this way to nonequilibrium situations found in finite systems. (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.
Quantum Ising model on hierarchical structures
International Nuclear Information System (INIS)
Lin Zhifang; Tao Ruibao.
1989-11-01
A quantum Ising chain with both the exchange couplings and the transverse fields arranged in a hierarchical way is considered. Exact analytical results for the critical line and energy gap are obtained. It is shown that when R 1 not= R 2 , where R 1 and R 2 are the hierarchical parameters for the exchange couplings and the transverse fields, respectively, the system undergoes a phase transition in a different universality class from the pure quantum Ising chain with R 1 =R 2 =1. On the other hand, when R 1 =R 2 =R, there exists a critical value R c dependent on the furcating number of the hierarchy. In case of R > R c , the system is shown to exhibit as Ising-like critical point with the critical behaviour the same as in the pure case, while for R c the system belongs to another universality class. (author). 19 refs, 2 figs
Transient subdiffusion from an Ising environment
Muñoz-Gil, G.; Charalambous, C.; García-March, M. A.; Garcia-Parajo, M. F.; Manzo, C.; Lewenstein, M.; Celi, A.
2017-11-01
We introduce a model in which a particle performs a continuous-time random walk (CTRW) coupled to an environment with Ising dynamics. The particle shows locally varying diffusivity determined by the geometrical properties of the underlying Ising environment, that is, the diffusivity depends on the size of the connected area of spins pointing in the same direction. The model shows anomalous diffusion when the Ising environment is at critical temperature. We show that any finite scale introduced by a temperature different from the critical one, or a finite size of the environment, cause subdiffusion only during a transient time. The characteristic time, at which the system returns to normal diffusion after the subdiffusive plateau depends on the limiting scale and on how close the temperature is to criticality. The system also displays apparent ergodicity breaking at intermediate time, while ergodicity breaking at longer time occurs only under the idealized infinite environment at the critical temperature.
National Aeronautics and Space Administration — Understanding non-equilibrium chemical kinetics and its interaction with radiation and fluid mechanics in hypersonic flows remains one of the largest obstacles to...
Partition function of nearest neighbour Ising models: Some new ...
Indian Academy of Sciences (India)
Administrator
While the formula- tion of the partition function pertaining to one- dimensional nearest neighbour Ising models is pedagogical and straight-forward,. 4 the same is not true for the two-dimensional Ising models. The cele- brated solution of Onsager. 5 for the two-dimensional. Ising model at H = 0 led to the detailed analysis of.
Inflation and nonequilibrium renormalization group
International Nuclear Information System (INIS)
Zanella, Juan; Calzetta, Esteban
2007-01-01
We study the spectrum of primordial fluctuations and the scale dependence of the inflaton spectral index due to self-interactions of the field. We compute the spectrum of fluctuations by applying nonequilibrium renormalization group techniques
Weak universality in inhomogeneous Ising quantum chains
International Nuclear Information System (INIS)
Karevski, Dragi
2006-01-01
The Ising quantum chain with arbitrary coupling distribution {λ i } leading to an anisotropic scaling is considered. The smallest gap of the chain is connected to the surface magnetization by the relation Λ 1 = m s ({λ i })m s ({λ -1 i }). For some aperiodic distribution {λ i }, a weak universality of the critical behaviour is found. (letter to the editor)
Classical Ising chain in transverse field
International Nuclear Information System (INIS)
Cuccoli, A.; Taiti, A.; Vaia, R.; Verrucchi, P.
2007-01-01
The spin 12 Ising chain in transverse field is considered the prototypical system for quantum phase transitions. However, very little is apparently known in literature about its classical counterpart, not to be confused with the standard classical Ising model: while the latter is constructed from classical discrete variables, the model we consider is a chain of classical vectors of modulus 1, interacting via an Ising-like Hamiltonian. When an uniform field is applied perpendicular to the exchange interaction, both the quantum model and its classical counterpart get to be characterized by a critical field separating a ferromagnetically ordered state of minimal energy from a paramagnetic one. The properties of the classical model, and especially the behaviour of the correlation length, are investigated at low temperature around the critical field and compared with those of the quantum model, in order to single out the role played by quantum and classical fluctuations at finite temperature; the possibility to experimentally observe peculiar quantum critical effects in Ising spin chains is discussed
ISEE : An Intuitive Sound Editing Environment
Vertegaal, R.P.H.; Bonis, E.
1994-01-01
This article presents ISEE, an intuitive sound editing environment, as a general sound synthesis model based on expert auditory perception and cognition of musical instruments. It discusses the backgrounds of current synthesizer user interface design and related timbre space research. Of the three
A Novel Approach to Ising Problems
Hoede, C.; Zandvliet, Henricus J.W.
2008-01-01
In 2000 Istrail suggested that calculating the partition function of non-planar Ising models is an NP-complete problem, implying that these problems are intractable and thus essentially unsolvable. In this note we discuss the validity of this suggestion and introduce the idea of gauging on an exact
Integral and fractional quantum Hall Ising ferromagnets
Czech Academy of Sciences Publication Activity Database
Výborný, Karel; Čertík, Ondřej; Pfannkuche, D.; Wodzinski, D.; Wójs, A.; Quinn, J.J.
2007-01-01
Roč. 75, č. 4 (2007), 045434/1-045434/10 ISSN 1098-0121 R&D Projects: GA MŠk LC510 Institutional research plan: CEZ:AV0Z10100521 Keywords : quantum Hall ferromagnet * fractional quantum Hall effect ( FQHE) * Ising ferromagnet * exact diagonalization Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.172, year: 2007
ISE and Chemfet sensors in greenhouse cultivation
Gieling, T.H.; Straten, van G.; Janssen, H.J.J.; Wouters, H.
2005-01-01
The development and market introduction of ion-specific sensors, like the ion selective electrode (ISE) and ion selective field effect transistor (ISFET) sensor, has paved the way for completely new systems for application of fertilisers to crops in greenhouses. This paper illustrates the usefulness
Brun-Battistini, Dominique; Mondragon-Suarez, Jose Humberto; Sandoval-Villalbazo, Alfredo; García-Perciante, Ana Laura
2015-11-01
In 1936, Richard C. Tolman showed that in thermodynamic equilibrium a temperature gradient can be compensated by a gravitational potential gradient. In reference, in a linearized gravity approximation, Tolman's law was extended for inhomogeneous non-equilibrium systems, suggesting that the contribution of the gravitational field to heat flow can be seen as a cross effect. In this work this contribution to the heat flux for a dilute simple fluid in an isotropic Schwarzschild metric is analyzed. In this case, the effect of the field is contained in the covariant derivative, such that the molecules follow geodesics. The results show that the effect of the field on the heat flux does not vanish, in contrast with what is suggested by other authors. The authors acknowledge support from CONACyT through grant CB2011/167563.
International Nuclear Information System (INIS)
Kinoshita, Takehiro; Fujiyama, Shinya; Idogaki, Toshihiro; Tokita, Masahiko
2009-01-01
The non-equilibrium phase transition in a ferromagnetic Ising model is investigated by use of a new type of effective field theory (EFT) which correctly accounts for all the single-site kinematic relations by differential operator technique. In the presence of a time dependent oscillating external field, with decrease of the temperature the system undergoes a dynamic phase transition, which is characterized by the period averaged magnetization Q, from a dynamically disordered state Q = 0 to the dynamically ordered state Q ≠ 0. The results of the dynamic phase transition point T c determined from the behavior of the dynamic magnetization and the Liapunov exponent provided by EFT are improved than that of the standard mean field theory (MFT), especially for the one dimensional lattice where the standard MFT gives incorrect result of T c = 0 even in the case of zero external field.
Critical percolation in the slow cooling of the bi-dimensional ferromagnetic Ising model
Ricateau, Hugo; Cugliandolo, Leticia F.; Picco, Marco
2018-01-01
We study, with numerical methods, the fractal properties of the domain walls found in slow quenches of the kinetic Ising model to its critical temperature. We show that the equilibrium interfaces in the disordered phase have critical percolation fractal dimension over a wide range of length scales. We confirm that the system falls out of equilibrium at a temperature that depends on the cooling rate as predicted by the Kibble-Zurek argument and we prove that the dynamic growing length once the cooling reaches the critical point satisfies the same scaling. We determine the dynamic scaling properties of the interface winding angle variance and we show that the crossover between critical Ising and critical percolation properties is determined by the growing length reached when the system fell out of equilibrium.
Nonequilibrium thermodynamics of an interface
Schweizer, Marco; Öttinger, Hans Christian; Savin, Thierry
2016-05-01
Interfacial thermodynamics has deep ramifications in understanding the boundary conditions of transport theories. We present a formulation of local equilibrium for interfaces that extends the thermodynamics of the "dividing surface," as introduced by Gibbs, to nonequilibrium settings such as evaporation or condensation. By identifying the precise position of the dividing surface in the interfacial region with a gauge degree of freedom, we exploit gauge-invariance requirements to consistently define the intensive variables for the interface. The model is verified under stringent conditions by employing high-precision nonequilibrium molecular-dynamics simulations of a coexisting vapor-liquid Lennard-Jones fluid. We conclude that the interfacial temperature is determined using the surface tension as a "thermometer," and it can be significantly different from the temperatures of the adjacent phases. Our findings lay foundations for nonequilibrium interfacial thermodynamics.
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.
On the theory of disordered Ising chains
International Nuclear Information System (INIS)
Kostadinov, I.Z.; Petrov, I.V.; Sariisky, Tc.
1977-11-01
The disordered Ising chain is considered. It is shown that for zero magnetic field the replicas method of Edwards and Anderson is exact and requires a specific type of fluctuation of the interaction parameters, excluding the spin-glass state. Linear renormalization transformations considered here include the initial distribution of the interaction intensity and allow distinction of the different types of disorder. The transformations are applied to the dilute solution model of disorder
ISEE-magnetopause observations - workshop results
International Nuclear Information System (INIS)
Paschmann, G.
1982-01-01
A brief history of ISEE magnetopause workshops held during 1977-1981 is presented, and an assessment of the activity of these workshops is made. Workshop results are surveyed, with attention given to magnetopause thickness and speed, large-scale reconnection, small-scale reconnection, magnetic field topology, plasma waves, boundary layer structure, surface waves, plasma origin, and the relationship between magnetopause and particle boundaries. Finally, a few topics that require particular attention in the future are mentioned
Quantum Ising chains with boundary fields
International Nuclear Information System (INIS)
Campostrini, Massimo; Vicari, Ettore; Pelissetto, Andrea
2015-01-01
We present a detailed study of the finite one-dimensional quantum Ising chain in a transverse field in the presence of boundary magnetic fields coupled with the order-parameter spin operator. We consider two magnetic fields located at the boundaries of the chain that have the same strength and that are aligned in the same or in the opposite direction. We derive analytic expressions for the gap in all phases for large values of the chain length L, as a function of the boundary field strength. We also investigate the behaviour of the chain in the quantum ferromagnetic phase for oppositely aligned fields, focusing on the magnet-to-kink transition that occurs at a finite value of the magnetic field strength. At this transition we compute analytically the finite-size crossover functions for the gap, the magnetisation profile, the two-point correlation function, and the density of fermionic modes. As the magnet-to-kink transition is equivalent to the wetting transition in two-dimensional classical Ising models, our results provide new analytic predictions for the finite-size behaviour of Ising systems in a strip geometry at this transition. (paper)
Transverse Ising model with multi-impurity
International Nuclear Information System (INIS)
Huang, Xuchu; Yang, Zhihua
2015-01-01
We study the transverse Ising spin model with spin-1 impurities under the exact solution. We develop a universal method to deal with the multi-impurity problem by introducing a displacement quantity in the wave function and get a recursive formula to simplify the calculation of the partition function. This allows us to rigorously determine the impurity effects for a specific distribution of impurity in the thermodynamic limit. The low temperature behaviors are governed by the interplay between host and impurity excitations, and the quantum critical fluctuations around the critical point of the transverse Ising model are tuned by the transverse field and the concentration of impurity. However the impurity effects are limited, which depends on the host–impurity exchange interaction and the coupling strength of impurities. - Highlights: • A universal method is proposed to exactly resolve the transverse Ising model with many impurities. • The phase diagram of the ground state is obtained for different impurity concentrations. • The thermodynamic properties can be determined rigorously by a recursive formula in the thermodynamic limit
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.
International Nuclear Information System (INIS)
Crooker, N.U.; Siscoe, G.L.; Russell, C.T.; Smith, E.J.
1982-01-01
The degree of correlation between ISEE 1 and ISEE 3 IMF measurements is highly variable. Approximately 200 two-hour periods when the correlation was good and 200 more when the correlation was poor are used to determine the relative control of several factors over the degree of correlation. Both IMF variance and spacecraft separation distance in the plane perpendicular to the earth-sun line exert substantial control. Good correlations are associated with high variance and distances less than 90 R/sub E/. During periods of highest variance, good correlations occur at distances beyond 90 R/sub E/ up to 120 R/sub E/, the maximum range of ISEE 1-ISEE 3 separation. Thus it appears that the scale size of magnetic features is larger when the variance is high. Abrupt changes in the correlation coefficient from poor to good or good to poor in adjacent two-hour intervals appear to be governed by the sense of change of IMF variance: changes in correlation from poor to good correspond to increasing variance and vice versa. The IMF orientation also exerts control over the degree of correlation. During periods of low variance, good correlations are most likely to occur when the distance between ISEE 1 and ISEE 3 perpendicular to the IMF is less than 20 R/sub E/. This scale size expands to approx.50 R/sub E/ during periods of high variance. Solar wind speed shows little control over the degree of correlation in the speed range 300--500 km/s
International Nuclear Information System (INIS)
Roh, Heui-Seol
2015-01-01
Chemical energy transfer mechanisms at finite temperature are explored by a chemical energy transfer theory which is capable of investigating various chemical mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium. Gibbs energy fluxes are obtained as a function of chemical potential, time, and displacement. Diffusion, convection, internal convection, and internal equilibrium chemical energy fluxes are demonstrated. The theory reveals that there are chemical energy flux gaps and broken discrete symmetries at the activation chemical potential, time, and displacement. The statistical, thermodynamic theory is the unification of diffusion and internal convection chemical reactions which reduces to the non-equilibrium generalization beyond the quasi-equilibrium theories of migration and diffusion processes. The relationship between kinetic theories of chemical and electrochemical reactions is also explored. The theory is applied to explore non-equilibrium chemical reactions as an illustration. Three variable separation constants indicate particle number constants and play key roles in describing the distinct chemical reaction mechanisms. The kinetics of chemical energy transfer accounts for the four control mechanisms of chemical reactions such as activation, concentration, transition, and film chemical reactions. - Highlights: • Chemical energy transfer theory is proposed for non-, quasi-, and equilibrium. • Gibbs energy fluxes are expressed by chemical potential, time, and displacement. • Relationship between chemical and electrochemical reactions is discussed. • Theory is applied to explore nonequilibrium energy transfer in chemical reactions. • Kinetics of non-equilibrium chemical reactions shows the four control mechanisms
Computer simulation of nonequilibrium processes
International Nuclear Information System (INIS)
Hoover, W.G.; Moran, B.; Holian, B.L.; Posch, H.A.; Bestiale, S.
1987-01-01
Recent atomistic simulations of irreversible macroscopic hydrodynamic flows are illustrated. An extension of Nose's reversible atomistic mechanics makes it possible to simulate such non-equilibrium systems with completely reversible equations of motion. The new techniques show that macroscopic irreversibility is a natural inevitable consequence of time-reversible Lyapunov-unstable microscopic equations of motion
Rheology via nonequilibrium molecular dynamics
International Nuclear Information System (INIS)
Hoover, W.G.
1982-10-01
The equilibrium molecular dynamics formulated by Newton, Lagrange, and Hamilton has been modified in order to simulate rheologial molecular flows with fast computers. This modified Nonequilibrium Molecular Dynamics (NEMD) has been applied to fluid and solid deformations, under both homogeneous and shock conditions, as well as to the transport of heat. The irreversible heating associated with dissipation could be controlled by carrying out isothermal NEMD calculations. The new isothermal NEMD equations of motion are consistent with Gauss' 1829 Least-Constraint principle as well as certain microscopic equilibrium and nonequilibrium statistical formulations due to Gibbs and Boltzmann. Application of isothermal NEMD revealed high-frequency and high-strain-rate behavior for simple fluids which resembled the behavior of polymer solutions and melts at lower frequencies and strain rates. For solids NEMD produces plastic flows consistent with experimental observations at much lower strain rates. The new nonequilibrium methods also suggest novel formulations of thermodynamics in nonequilibrium systems and shed light on the failure of the Principle of Material Frame Indifference
Supersymmetric electroweak baryogenesis, nonequilibrium field theory and quantum Boltzmann equations
Riotto, Antonio
1998-01-01
The closed time-path (CPT) formalism is a powerful Green's function formulation to describe nonequilibrium phenomena in field theory and it leads to a complete nonequilibrium quantum kinetic theory. In this paper we make use of the CPT formalism to write down a set of quantum Boltzmann equations describing the local number density asymmetries of the particles involved in supersymmetric electroweak baryogenesis. These diffusion equations automatically and self-consistently incorporate the CP-violating sources which fuel baryogenesis when transport properties allow the CP-violating charges to diffuse in front of the bubble wall separating the broken from the unbroken phase at the electroweak phase transition. This is a significant improvement with respect to recent approaches where the CP-violating sources are inserted by hand into the diffusion equations. Furthermore, the CP-violating sources and the particle number changing interactions manifest ``memory'' effects which are typical of the quantum transp ort t...
High-precision work distributions for extreme nonequilibrium processes in large systems.
Hartmann, Alexander K
2014-05-01
The distributions of work for strongly nonequilibrium processes are studied using a very general form of a large-deviation approach, which allows one to study distributions down to extremely small probabilities of almost arbitrary quantities of interest for equilibrium, nonequilibrium stationary, and even nonstationary processes. The method is applied to quickly vary the external field in a wide range B = 3 ↔ 0 for a critical (T = 2.269) two-dimensional Ising system of size L × L = 128 × 128. To obtain free-energy differences from the work distributions, they must be studied in ranges where the probabilities are as small as 10^{-240}, which is not possible using direct simulation approaches. By comparison with the exact free energies, which are available for this model for the zero-field case, one sees that the present approach allows one to obtain the free energy with a very high relative precision of 10^{-4}. This works well also for a nonzero field, i.e., for a case where standard umbrella-sampling methods are not efficient to calculate free energies. Furthermore, for the present case it is verified that the resulting distributions of work for forward and backward processes fulfill Crooks theorem with high precision. Finally, the free energy for the Ising magnet as a function of the field strength is obtained.
Entanglement negativity in the critical Ising chain
International Nuclear Information System (INIS)
Calabrese, Pasquale; Tagliacozzo, Luca; Tonni, Erik
2013-01-01
We study the scaling of the traces of the integer powers of the partially transposed reduced density matrix Tr(ρ A T 2 ) n and of the entanglement negativity for two spin blocks as a function of their length and separation in the critical Ising chain. For two adjacent blocks, we show that tensor network calculations agree with universal conformal field theory (CFT) predictions. In the case of two disjoint blocks the CFT predictions are recovered only after taking into account the finite size corrections induced by the finite length of the blocks. (paper)
An Ising model for earthquake dynamics
Directory of Open Access Journals (Sweden)
A. Jiménez
2007-01-01
Full Text Available This paper focuses on extracting the information contained in seismic space-time patterns and their dynamics. The Greek catalog recorded from 1901 to 1999 is analyzed. An Ising Cellular Automata representation technique is developed to reconstruct the history of these patterns. We find that there is strong correlation in the region, and that small earthquakes are very important to the stress transfers. Finally, it is demonstrated that this approach is useful for seismic hazard assessment and intermediate-range earthquake forecasting.
Entrepreneurial Leapfrogging in the Context of ISE
DEFF Research Database (Denmark)
Li, Peter
2013-01-01
We know little regarding the underlying contexts and mechanisms for disruptive innovation initiated by the entrepreneurial firms in the emerging economies. Further, there is limited knowledge about the contexts and mechanisms for global latecomers to catch up with and leapfrog global early......-movers. The cross-fertilization between such two research streams provides a great opportunity to shed light on their link toward an interdisciplinary domain of international strategic entrepreneurship (ISE). This article will develop an integrative typology of global innovations as well as a dynamic model...
Quenched random-bond ising ferromagnet
International Nuclear Information System (INIS)
Sarmento, E.F.; Honmura, R.; Tsallis, C.; Centro Brasileiro de Pesquisas Fisicas, Rio de Janeiro)
1984-01-01
A effective-field framework which, without mathematical complexities, enables the calculation of the phase diagram (and magnetization) associated with a quenched bond-mixed spin - 1/2 Ising model in an anisotropic simple cubic lattice have been recently introduced. The case corresponding to anisotropic coupling constants but isotropic concentrations was discussed in detail. Herein the case corresponding to isotropic coupling constants but anisotropic concentrations is discussed. A certain amount of interesting phase diagrams are exhibited; whenever comparison with available data is possible, the present results provide a satisfactory qualitative (and to a certain extent quantitative) agreement. (Author) [pt
Lattice Ising model in a field: E8 scattering theory
Bazhanov, V.V.; Nienhuis, B.; Warnaar, S.O.
1994-01-01
Zamolodchikov found an integrable field theory related to the Lie algebra E8, which describes the scaling limit of the Ising model in a magnetic field. He conjectured that there also exist solvable lattice models based on E8 in the universality class of the Ising model in a field. The dilute A3
Bayesian inference for low-rank Ising networks
Marsman, M.; Maris, Gunter; Bechger, Timo; Glas, Cornelis A.W.
2015-01-01
Estimating the structure of Ising networks is a notoriously difficult problem. We demonstrate that using a latent variable representation of the Ising network, we can employ a full-data-information approach to uncover the network structure. Thereby, only ignoring information encoded in the prior
The high temperature Ising model is a critical percolation model
Meester, R.W.J.; Camia, F.; Balint, A.
2010-01-01
We define a new percolation model by generalising the FK representation of the Ising model, and show that on the triangular lattice and at high temperatures, the critical point in the new model corresponds to the Ising model. Since the new model can be viewed as Bernoulli percolation on a random
The susceptibilities in the spin-S Ising model
International Nuclear Information System (INIS)
Ainane, A.; Saber, M.
1995-08-01
The susceptibilities of the spin-S Ising model are evaluated using the effective field theory introduced by Tucker et al. for studying general spin-S Ising model. The susceptibilities are studied for all spin values from S = 1/2 to S = 5/2. (author). 12 refs, 4 figs
Nonequilibrium quantum fluctuations of work.
Allahverdyan, A E
2014-09-01
The concept of work is basic for statistical thermodynamics. To gain a fuller understanding of work and its (quantum) features, it needs to be represented as an average of a fluctuating quantity. Here I focus on the work done between two moments of time for a thermally isolated quantum system driven by a time-dependent Hamiltonian. I formulate two natural conditions needed for the fluctuating work to be physically meaningful for a system that starts its evolution from a nonequilibrium state. The existing definitions do not satisfy these conditions due to issues that are traced back to noncommutativity. I propose a definition of fluctuating work that is free of previous drawbacks and that applies for a wide class of nonequilibrium initial states. It allows the deduction of a generalized work-fluctuation theorem that applies for an arbitrary (out-of-equilibrium) initial state.
Topological phases of shaken quantum Ising lattices
International Nuclear Information System (INIS)
Fernández-Lorenzo, Samuel; Porras, Diego; García-Ripoll, Juan José
2016-01-01
The quantum compass model consists of a two-dimensional square spin lattice where the orientation of the spin–spin interactions depends on the spatial direction of the bonds. It has remarkable symmetry properties and the ground state shows topological degeneracy. The implementation of the quantum compass model in quantum simulation setups like ultracold atoms and trapped ions is far from trivial, since spin interactions in those systems typically are independent of the spatial direction. Ising spin interactions, on the contrary, can be induced and controlled in atomic setups with state-of-the art experimental techniques. In this work, we show how the quantum compass model on a rectangular lattice can be simulated by the use of the photon-assisted tunneling induced by periodic drivings on a quantum Ising spin model. We describe a procedure to adiabatically prepare one of the doubly degenerate ground states of this model by adiabatically ramping down a transverse magnetic field, with surprising differences depending on the parity of the lattice size. Exact diagonalizations confirm the validity of this approach for small lattices. Specific implementations of this scheme are presented with ultracold atoms in optical lattices in the Mott insulator regime, as well as with Rydberg atoms. (paper)
Dynamics of the Random Field Ising Model
Xu, Jian
The Random Field Ising Model (RFIM) is a general tool to study disordered systems. Crackling noise is generated when disordered systems are driven by external forces, spanning a broad range of sizes. Systems with different microscopic structures such as disordered mag- nets and Earth's crust have been studied under the RFIM. In this thesis, we investigated the domain dynamics and critical behavior in two dipole-coupled Ising ferromagnets Nd2Fe14B and LiHoxY 1-xF4. With Tc well above room temperature, Nd2Fe14B has shown reversible disorder when exposed to an external transverse field and crosses between two universality classes in the strong and weak disorder limits. Besides tunable disorder, LiHoxY1-xF4 has shown quantum tunneling effects arising from quantum fluctuations, providing another mechanism for domain reversal. Universality within and beyond power law dependence on avalanche size and energy were studied in LiHo0.65Y0.35 F4.
Computer simulation of nonequilibrium processes
Energy Technology Data Exchange (ETDEWEB)
Wallace, D.C.
1985-07-01
The underlying concepts of nonequilibrium statistical mechanics, and of irreversible thermodynamics, will be described. The question at hand is then, how are these concepts to be realize in computer simulations of many-particle systems. The answer will be given for dissipative deformation processes in solids, on three hierarchical levels: heterogeneous plastic flow, dislocation dynamics, an molecular dynamics. Aplication to the shock process will be discussed.
Sobolev, S. L.
2018-02-01
Some analogies between different nonequilibrium heat conduction models, particularly random walk, the discrete variable model, and the Boltzmann transport equation with the single relaxation time approximation, have been discussed. We show that, under an assumption of a finite value of the heat carrier velocity, these models lead to the hyperbolic heat conduction equation and the modified Fourier law with relaxation term. Corresponding effective temperature and entropy have been introduced and analyzed. It has been demonstrated that the effective temperature, defined as a geometric mean of the kinetic temperatures of the heat carriers moving in opposite directions, acts as a criterion for thermalization and is a nonlinear function of the kinetic temperature and heat flux. It is shown that, under highly nonequilibrium conditions when the heat flux tends to its maximum possible value, the effective temperature, heat capacity, and local entropy go to zero even at a nonzero equilibrium temperature. This provides a possible generalization of the third law to nonequilibrium situations. Analogies and differences between the proposed effective temperature and some other definitions of a temperature in nonequilibrium state, particularly for active systems, disordered semiconductors under electric field, and adiabatic gas flow, have been shown and discussed. Illustrative examples of the behavior of the effective temperature and entropy during nonequilibrium heat conduction in a monatomic gas and a strong shockwave have been analyzed.
Extended irreversible thermodynamics and non-equilibrium temperature
Directory of Open Access Journals (Sweden)
Casas-Vazquez, Jose'
2008-02-01
Full Text Available We briefly review the concept of non-equilibrium temperature from the perspectives of extended irreversible thermodynamics, fluctuation theory, and statistical mechanics. The relations between different proposals are explicitly examined in two especially simple systems: an ideal gas in steady shear flow and a forced harmonic oscillator in a thermal bath. We examine with special detail temperatures related to the average molecular kinetic energy along different spatial directions, to the average configurational energy, to the derivative of the entropy with respect to internal energy, to fluctuation-dissipation relation and discuss their measurement.
Non-exponential dynamic relaxation in strongly nonequilibrium nonideal plasmas
International Nuclear Information System (INIS)
Morozov, I V; Norman, G E
2003-01-01
Relaxation of kinetic energy to the equilibrium state is simulated by the molecular dynamics method for nonideal two-component non-degenerate plasmas. Three limiting examples of initial states of strongly nonequilibrium plasma are considered: zero electron velocities, zero ion velocities and zero velocities of both electrons and ions. The initial non-exponential stage, its duration τ nB and subsequent exponential stages of the relaxation process are studied for a wide range of the nonideality parameter and the ion mass
Mimicking Nonequilibrium Steady States with Time-Periodic Driving
Directory of Open Access Journals (Sweden)
O. Raz
2016-05-01
Full Text Available Under static conditions, a system satisfying detailed balance generically relaxes to an equilibrium state in which there are no currents. To generate persistent currents, either detailed balance must be broken or the system must be driven in a time-dependent manner. A stationary system that violates detailed balance evolves to a nonequilibrium steady state (NESS characterized by fixed currents. Conversely, a system that satisfies instantaneous detailed balance but is driven by the time-periodic variation of external parameters—also known as a stochastic pump (SP—reaches a periodic state with nonvanishing currents. In both cases, these currents are maintained at the cost of entropy production. Are these two paradigmatic scenarios effectively equivalent? For discrete-state systems, we establish a mapping between nonequilibrium stationary states and stochastic pumps. Given a NESS characterized by a particular set of stationary probabilities, currents, and entropy production rates, we show how to construct a SP with exactly the same (time-averaged values. The mapping works in the opposite direction as well. These results establish a proof of principle: They show that stochastic pumps are able to mimic the behavior of nonequilibrium steady states, and vice versa, within the theoretical framework of discrete-state stochastic thermodynamics. Nonequilibrium steady states and stochastic pumps are often used to model, respectively, biomolecular motors driven by chemical reactions and artificial molecular machines steered by the variation of external, macroscopic parameters. Our results loosely suggest that anything a biomolecular machine can do, an artificial molecular machine can do equally well. We illustrate this principle by showing that kinetic proofreading, a NESS mechanism that explains the low error rates in biochemical reactions, can be effectively mimicked by a constrained periodic driving.
Ising spin system on the Fibonacci chain
Tsunetsugu, Hirokazu; Ueda, Kazuo
1987-10-01
A study of the ground-state and thermodynamic properties of the Ising spin system was carried out including an external magnetic field where two exchange energies are arranged according to a Fibonacci sequence. For this model, the decimation renormalization transformation can be performed exactly as shown recently by Achiam, Lubensky, and Marshall. It is found that there is a new fixed plane of two-cycle limit points. Using the recursion relation of the free energy, we calculate numerically the physical quantities when the two exchange energies have opposite signs. It is shown that the chain becomes magnetized stepwise by the external field and that the magnetic susceptibility and the specific heat oscillate as a function of the temperature. These characteristic features can be understood, based on the hierarchical cluster structure of the ground state.
Critical behavior of ferromagnetic Ising thin films
International Nuclear Information System (INIS)
Cossio, P.; Mazo-Zuluaga, J.; Restrepo, J.
2006-01-01
In the present work, we study the magnetic properties and critical behavior of simple cubic ferromagnetic thin films. We simulate LxLxd films with semifree boundary conditions on the basis of the Monte Carlo method and the Ising model with nearest neighbor interactions. A Metropolis dynamics was implemented to carry out the energy minimization process. For different film thickness, in the nanometer range, we compute the temperature dependence of the magnetization, the magnetic susceptibility and the fourth order Binder's cumulant. Bulk and surface contributions of these quantities are computed in a differentiated fashion. Additionally, according to finite size scaling theory, we estimate the critical exponents for the correlation length, magnetic susceptibility, and magnetization. Results reveal a strong dependence of critical temperature and critical exponents on the film thickness. The obtained critical exponents are finally compared to those reported in literature for thin films
Directory of Open Access Journals (Sweden)
Jacob Olufemi Orimaye
2016-01-01
Full Text Available This study investigated butterfly diversity in the protected area (PA and unprotected area (UPA of Ise Forest reserve, Ise Ekiti, Ekiti State, using sweep net along existing trails. Butterfly species seen in the study sites were captured and released after proper identification was made. The results indicated that a total of 837 butterflies were identified in the study sites with 661 species observed in PA and 176 species in UPA. Butterfly species diversity was significantly different (p≤0.05 between PA and UPA. Shannon diversity index was higher in PA (3.59 than UPA (3.27 as against Menhinick’s index, higher in UPA (2.11 than in PA (1.52. Likewise, 10 families of butterflies were recorded in PA and 8 families in UPA. The family with highest species occurrence was Satyridae (17.9% in PA and Lycaenidae in UPA with 20.1%. Butterfly families’ diversity was not significant (p≥0.05 between the two study sites. Ise Forest Reserve recorded approximately 6.6% of all butterflies recorded in West Africa. The findings indicated that mature secondary and regenerated forests supported high butterfly diversity and species richness, while cultivated land and grassland had a negative impact on butterfly community suggesting the negative effect of agricultural activities on the ecosystem.
Taxonomy of particles in Ising spin chains.
Liu, Dan; Lu, Ping; Müller, Gerhard; Karbach, Michael
2011-08-01
The statistical mechanics of particles with shapes on a one-dimensional lattice is investigated in the context of the s=1 Ising chain with uniform nearest-neighbor coupling, quadratic single-site potential, and a magnetic field, which supports four distinct ground states: |↑↓↑↓⋯>, |∘∘⋯>, |↑↑⋯>, |↑∘↑∘⋯>. The complete spectrum is generated from each ground state by particles from a different set of six or seven species. Particles and elements of the pseudovacuum are characterized by motifs (patterns of several consecutive site variables). Particles are floating objects that can be placed into open slots on the lattice. Open slots are recognized as permissible links between motifs. The energy of a particle varies between species but is independent of where it is placed. Placement of one particle changes the open-slot configuration for particles of all species. This statistical interaction is encoded in a generalized Pauli principle, from which the multiplicity of states for a given particle combination is determined and used for the exact statistical mechanical analysis. Particles from all species belong to one of four categories: compacts, hosts, tags, or hybrids. Compacts and hosts find open slots in segments of pseudovacuum. Tags find open slots inside hosts. Hybrids are tags with hosting capability. In the taxonomy of particles proposed here, "species" is indicative of structure and "category" indicative of function. The hosting function splits the Pauli principle into exclusion and accommodation parts. Near phase boundaries, the state of the Ising chain at low temperature is akin to that of miscible or immiscible liquids with particles from one species acting as surfactant molecules.
Institute for Science and Engineering Simulation (ISES)
2015-12-18
performance and other functionalities such as electrical , magnetic, optical, thermal, biological, chemical, and so forth. Structural integrity...Fe3Si nanocrystals and the amorphous matrix, on the nucleation and growth kinetics has been addressed. The results demonstrate that while Cu clustering...Si, and B. Therefore, the kinetics of solute partitioning and mobility of the nanocrystal /amorphous matrix interface is substantially slower in
Manipulating nonequilibrium magnetism through superconductors.
Giazotto, Francesco; Taddei, Fabio; Fazio, Rosario; Beltram, Fabio
2005-08-05
Electrostatic control of the magnetization of a normal mesoscopic conductor is analyzed in a hybrid superconductor-normal-conductor-superconductor system. This effect stems from the interplay between the nonequilibrium condition in the normal region and the Zeeman splitting of the quasi-particle density of states of the superconductor subjected to a static in-plane magnetic field. Unexpected spin-dependent effects such as magnetization suppression, diamagnetic-like response of the susceptibility, as well as spin-polarized current generation are the most remarkable features presented. The impact of scattering events is evaluated and lets us show that this effect is compatible with realistic material properties and fabrication techniques.
Nonequilibrium thermodynamics and energy efficiency in weight loss diets
Directory of Open Access Journals (Sweden)
Fine Eugene J
2007-07-01
Full Text Available Abstract Carbohydrate restriction as a strategy for control of obesity is based on two effects: a behavioral effect, spontaneous reduction in caloric intake and a metabolic effect, an apparent reduction in energy efficiency, greater weight loss per calorie consumed. Variable energy efficiency is established in many contexts (hormonal imbalance, weight regain and knock-out experiments in animal models, but in the area of the effect of macronutrient composition on weight loss, controversy remains. Resistance to the idea comes from a perception that variable weight loss on isocaloric diets would somehow violate the laws of thermodynamics, that is, only caloric intake is important ("a calorie is a calorie". Previous explanations of how the phenomenon occurs, based on equilibrium thermodynamics, emphasized the inefficiencies introduced by substrate cycling and requirements for increased gluconeogenesis. Living systems, however, are maintained far from equilibrium, and metabolism is controlled by the regulation of the rates of enzymatic reactions. The principles of nonequilibrium thermodynamics which emphasize kinetic fluxes as well as thermodynamic forces should therefore also be considered. Here we review the principles of nonequilibrium thermodynamics and provide an approach to the problem of maintenance and change in body mass by recasting the problem of TAG accumulation and breakdown in the adipocyte in the language of nonequilibrium thermodynamics. We describe adipocyte physiology in terms of cycling between an efficient storage mode and a dissipative mode. Experimentally, this is measured in the rate of fatty acid flux and fatty acid oxidation. Hormonal levels controlled by changes in dietary carbohydrate regulate the relative contributions of the efficient and dissipative parts of the cycle. While no experiment exists that measures all relevant variables, the model is supported by evidence in the literature that 1 dietary carbohydrate, via its
Newcomb, Lucas B; Alaghemandi, Mohammad; Green, Jason R
2017-07-21
While hydrogen is a promising source of clean energy, the safety and optimization of hydrogen technologies rely on controlling ignition through explosion limits: pressure-temperature boundaries separating explosive behavior from comparatively slow burning. Here, we show that the emergent nonequilibrium chemistry of combustible mixtures can exhibit the quantitative features of a phase transition. With stochastic simulations of the chemical kinetics for a model mechanism of hydrogen combustion, we show that the boundaries marking explosive domains of kinetic behavior are nonequilibrium critical points. Near the pressure of the second explosion limit, these critical points terminate the transient coexistence of dynamical phases-one that autoignites and another that progresses slowly. Below the critical point temperature, the chemistry of these phases is indistinguishable. In the large system limit, the pseudo-critical temperature converges to the temperature of the second explosion limit derived from mass-action kinetics.
Ordering in the quenched two-dimensional axial next-nearest-neighbor Ising model
International Nuclear Information System (INIS)
Hassold, G.N.; Srolovitz, D.J.
1988-01-01
Monte Carlo simulations of ordering in the two-dimensional axial next-nearest-neighbor Ising model following a quench were performed using nonconserved dynamics for a wide range of frustration parameters, κ, and temperatures. It was found that in quenches from T>>T/sub c/ to T 1 2 kinetics. Similar results are found for quenches at κ≥1, where the ordered structure is striped. However, for 0 phase (i.e., striped phase). Quenches to higher temperatures show the presence of a finite glass-transition temperature. Discontinuous changes in the value of the frustration parameter from the ferromagnetic to the -phase region of the phase diagram at low temperature yields a phase change which occurs via classical nucleation and growth. A simple energetic or growth model is proposed which accounts for all of the temperatures at which the ordering kinetics undergoes transitions
Energy repartition in the nonequilibrium steady state
Yan, Peng; Bauer, G.E.; Zhang, Huaiwu
2017-01-01
The concept of temperature in nonequilibrium thermodynamics is an outstanding theoretical issue. We propose an energy repartition principle that leads to a spectral (mode-dependent) temperature in steady-state nonequilibrium systems. The general concepts are illustrated by analytic solutions of
Enrique, R A; Averback, R S; Bellon, P
2003-01-01
Alloys under irradiation are continuously driven away from equilibrium: Every time an external particle interacts with the atoms in the solid, a perturbation very localized in space and time is produced. Under this external forcing, phase and microstructural evolution depends ultimately on the dynamical interaction between the external perturbation and the internal recovery kinetics of the alloy. We consider the nonequilibrium steady state of an immiscible binary alloy subject to mixing by heavy-ion irradiation. It has been found that the range of the forced atomic relocations taking place during collision cascades plays an important role on the final microstructure: when this range is large enough, it can lead to the spontaneous formation of compositional patterns at the nanometer scale. These results were rationalized in the framework of a continuum model solved by deriving a nonequilibrium thermodynamic potential. Here we derive the nonequilibrium structure factor by including the role of fluctuations. In ...
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.
Partition function of the two-dimensional nearest neighbour Ising ...
Indian Academy of Sciences (India)
Abstract. The partition function for two-dimensional nearest neighbour Ising model in a non-zero magnetic field have been derived for a finite square lattice of 16, 25, 36 and 64 sites with the help of ...
An Ising model for metal-organic frameworks
Höft, Nicolas; Horbach, Jürgen; Martín-Mayor, Victor; Seoane, Beatriz
2017-08-01
We present a three-dimensional Ising model where lines of equal spins are frozen such that they form an ordered framework structure. The frame spins impose an external field on the rest of the spins (active spins). We demonstrate that this "porous Ising model" can be seen as a minimal model for condensation transitions of gas molecules in metal-organic frameworks. Using Monte Carlo simulation techniques, we compare the phase behavior of a porous Ising model with that of a particle-based model for the condensation of methane (CH4) in the isoreticular metal-organic framework IRMOF-16. For both models, we find a line of first-order phase transitions that end in a critical point. We show that the critical behavior in both cases belongs to the 3D Ising universality class, in contrast to other phase transitions in confinement such as capillary condensation.
The Stochastic Ising Model with the Mixed Boundary Conditions
Directory of Open Access Journals (Sweden)
Wang Jun
2009-01-01
Full Text Available Abstract We estimate the spectral gap of the two-dimensional stochastic Ising model for four classes of mixed boundary conditions. On a finite square, in the absence of an external field, two-sided estimates on the spectral gap for the first class of (weak positive boundary conditions are given. Further, at inverse temperatures , we will show lower bounds of the spectral gap of the Ising model for the other three classes mixed boundary conditions.
Finite-size scaling on the Ising coexistence line
Gupta, Sourendu
1992-01-01
We report tests of finite-size scaling ansatzes in the low temperature phase of the two-dimensional Ising model. For moments of the magnetisation density, we find good agreement with the new ansatz of Borgs and Koteck\\'y, and clear evi consequences of the convexity of the free energy are not adequately treated in either of these approaches.\\lb {\\it Keywords}\\/: Finite-size scaling, 2-d Ising, pure-phase susceptibility.
Hyperscaling breakdown and Ising spin glasses: The Binder cumulant
Lundow, P. H.; Campbell, I. A.
2018-02-01
Among the Renormalization Group Theory scaling rules relating critical exponents, there are hyperscaling rules involving the dimension of the system. It is well known that in Ising models hyperscaling breaks down above the upper critical dimension. It was shown by Schwartz (1991) that the standard Josephson hyperscaling rule can also break down in Ising systems with quenched random interactions. A related Renormalization Group Theory hyperscaling rule links the critical exponents for the normalized Binder cumulant and the correlation length in the thermodynamic limit. An appropriate scaling approach for analyzing measurements from criticality to infinite temperature is first outlined. Numerical data on the scaling of the normalized correlation length and the normalized Binder cumulant are shown for the canonical Ising ferromagnet model in dimension three where hyperscaling holds, for the Ising ferromagnet in dimension five (so above the upper critical dimension) where hyperscaling breaks down, and then for Ising spin glass models in dimension three where the quenched interactions are random. For the Ising spin glasses there is a breakdown of the normalized Binder cumulant hyperscaling relation in the thermodynamic limit regime, with a return to size independent Binder cumulant values in the finite-size scaling regime around the critical region.
Factorization of the Ising model form factors
International Nuclear Information System (INIS)
Assis, M; McCoy, B M; Maillard, J-M
2011-01-01
We present a general method for analytically factorizing the n-fold form factor integrals f (n) N,N (t) for the correlation functions of the Ising model on the diagonal in terms of the hypergeometric functions 2 F 1 ([1/2, N + 1/2]; [N + 1]; t) which appear in the form factor f (1) N,N (t). New quadratic recursion and quartic identities are obtained for the form factors for n = 2, 3. For n = 2, 3, 4 explicit results are given for the form factors. These factorizations are proved for all N for n = 2, 3. These results yield the emergence of palindromic polynomials canonically associated with elliptic curves. As a consequence, understanding the form factors amounts to describing and understanding an infinite set of palindromic polynomials, canonically associated with elliptic curves. From an analytical viewpoint the relation of these palindromic polynomials with hypergeometric functions associated with elliptic curves is made very explicitly, and from a differential algebra viewpoint this corresponds to the emergence of direct sums of differential operators homomorphic to symmetric powers of a second order operator associated with elliptic curve.
Nonequilibrium fluctuations in a resistor.
Garnier, N; Ciliberto, S
2005-06-01
In small systems where relevant energies are comparable to thermal agitation, fluctuations are of the order of average values. In systems in thermodynamical equilibrium, the variance of these fluctuations can be related to the dissipation constant in the system, exploiting the fluctuation-dissipation theorem. In nonequilibrium steady systems, fluctuations theorems (FT) additionally describe symmetry properties of the probability density functions (PDFs) of the fluctuations of injected and dissipated energies. We experimentally probe a model system: an electrical dipole driven out of equilibrium by a small constant current I, and show that FT are experimentally accessible and valid. Furthermore, we stress that FT can be used to measure the dissipated power P = R I2 in the system by just studying the PDFs' symmetries.
Magnetic topology, nonequilibrium, and dissipation
International Nuclear Information System (INIS)
Parker, E.N.
1985-01-01
Static equilibrium of a magnetic field throughout a large volume of highly conducting fluid requires a degree of topological symmetry that is generally lacking in nature. The dynamical nonequilibrium of the magnetic topologies in the real world forms current sheets across which there is active reconnection of the field, dissipating the energy of the magnetic strains and reducing the fields toward simpler forms. The magnetic fields in astronomical settings are generally subject to continual straining by the convection within their parent body. The work done on the field by the convection appears in the energy of the small-scale strains, and is soon dissipated by the reconnection. The intense heating of the tenuous outer atmosphere of stars by this mechanism appears to be responsible for most of the X-ray emission of ordinary stars
Statistical thermodynamics of nonequilibrium processes
Keizer, Joel
1987-01-01
The structure of the theory ofthermodynamics has changed enormously since its inception in the middle of the nineteenth century. Shortly after Thomson and Clausius enunciated their versions of the Second Law, Clausius, Maxwell, and Boltzmann began actively pursuing the molecular basis of thermo dynamics, work that culminated in the Boltzmann equation and the theory of transport processes in dilute gases. Much later, Onsager undertook the elucidation of the symmetry oftransport coefficients and, thereby, established himself as the father of the theory of nonequilibrium thermodynamics. Com bining the statistical ideas of Gibbs and Langevin with the phenomenological transport equations, Onsager and others went on to develop a consistent statistical theory of irreversible processes. The power of that theory is in its ability to relate measurable quantities, such as transport coefficients and thermodynamic derivatives, to the results of experimental measurements. As powerful as that theory is, it is linear and...
Nonequilibrium current-carrying steady states in the anisotropic X Y spin chain
Lancaster, Jarrett L.
2016-05-01
Out-of-equilibrium behavior is explored in the one-dimensional anisotropic X Y model. Initially preparing the system in the isotropic X X model with a linearly varying magnetic field to create a domain-wall magnetization profile, dynamics is generated by rapidly changing the exchange interaction anisotropy and external magnetic field. Relaxation to a nonequilibrium steady state is studied analytically at the critical transverse Ising point, where correlation functions may be computed in closed form. For arbitrary values of anisotropy and external field, an effective generalized Gibbs' ensemble is shown to accurately describe observables in the long-time limit. Additionally, we find spatial oscillations in the exponentially decaying, transverse spin-spin correlation functions with wavelength set by the magnetization jump across the initial domain wall. This wavelength depends only weakly on anisotropy and magnetic field in contrast to the current, which is highly dependent on these parameters.
Nonomura, Yoshihiko; Tomita, Yusuke
Recently we showed that the critical nonequilibrium relaxation in cluster algorithms is widely described by the stretched-exponential decay of physical quantities in the Ising or Heisenberg models. Here we make a similar analysis in the Berezinsky-Kosterlitz-Thouless (BKT) phase transition in the 2D XY model (simple exponential decay) and in the weak first-order phase transition in the 2D q = 5 Potts model (power-law decay), which means that these phase transitions can clearly be characterized by the present analysis. These relaxation behaviors are compared with those in the 3D and 4D XY models (second-order phase transition) and in the 2D q-state Potts models (2 = 6 for strong first-order phase transitions.
Long-range Ising and Kitaev models: phases, correlations and edge modes
Vodola, Davide; Lepori, Luca; Ercolessi, Elisa; Pupillo, Guido
2016-01-01
We analyze the quantum phases, correlation functions and edge modes for a class of spin-1/2 and fermionic models related to the one-dimensional Ising chain in the presence of a transverse field. These models are the Ising chain with anti-ferromagnetic long-range interactions that decay with distance r as 1/{r}α , as well as a related class of fermionic Hamiltonians that generalize the Kitaev chain, where both the hopping and pairing terms are long-range and their relative strength can be varied. For these models, we provide the phase diagram for all exponents α, based on an analysis of the entanglement entropy, the decay of correlation functions, and the edge modes in the case of open chains. We demonstrate that violations of the area law can occur for α ≲ 1, while connected correlation functions can decay with a hybrid exponential and power-law behavior, with a power that is α-dependent. Interestingly, for the fermionic models we provide an exact analytical derivation for the decay of the correlation functions at every α. Along the critical lines, for all models breaking of conformal symmetry is argued at low enough α. For the fermionic models we show that the edge modes, massless for α ≳ 1, can acquire a mass for α \\lt 1. The mass of these modes can be tuned by varying the relative strength of the kinetic and pairing terms in the Hamiltonian. Interestingly, for the Ising chain a similar edge localization appears for the first and second excited states on the paramagnetic side of the phase diagram, where edge modes are not expected. We argue that, at least for the fermionic chains, these massive states correspond to the appearance of new phases, notably approached via quantum phase transitions without mass gap closure. Finally, we discuss the possibility to detect some of these effects in experiments with cold trapped ions.
Eu, Byung Chan
2016-01-01
This textbook provides a comprehensive introduction to nature-inspired metaheuristic methods for search and optimization, including the latest trends in evolutionary algorithms and other forms of natural computing. Over 100 different types of these methods are discussed in detail. The authors emphasize non-standard optimization problems and utilize a natural approach to the topic, moving from basic notions to more complex ones. An introductory chapter covers the necessary biological and mathematical backgrounds for understanding the main material. Subsequent chapters then explore almost all of the major metaheuristics for search and optimization created based on natural phenomena, including simulated annealing, recurrent neural networks, genetic algorithms and genetic programming, differential evolution, memetic algorithms, particle swarm optimization, artificial immune systems, ant colony optimization, tabu search and scatter search, bee and bacteria foraging algorithms, harmony search, biomolecular computin...
Directory of Open Access Journals (Sweden)
Rongguo Yan
2016-10-01
Full Text Available There exist several positively and negatively charged electrolytes or ions in human blood, urine, and other body fluids. Tests that measure the concentration of these ions in clinics are performed using a more affordable, portable, and disposable potentiometric sensing method with few sample volumes, which requires the use of ion-selective electrodes (ISEs and reference electrodes. This review summarily descriptively presents progressive developments and applications of ion selective electrodes in medical laboratory electrolytic ion tests, from conventional ISEs, solid-contact ISEs, carbon nanotube based ISEs, to graphene-based ISEs.
Wall ablation of heated compound-materials into non-equilibrium discharge plasmas
Wang, Weizong; Kong, Linghan; Geng, Jinyue; Wei, Fuzhi; Xia, Guangqing
2017-02-01
The discharge properties of the plasma bulk flow near the surface of heated compound-materials strongly affects the kinetic layer parameters modeled and manifested in the Knudsen layer. This paper extends the widely used two-layer kinetic ablation model to the ablation controlled non-equilibrium discharge due to the fact that the local thermodynamic equilibrium (LTE) approximation is often violated as a result of the interaction between the plasma and solid walls. Modifications to the governing set of equations, to account for this effect, are derived and presented by assuming that the temperature of the electrons deviates from that of the heavy particles. The ablation characteristics of one typical material, polytetrafluoroethylene (PTFE) are calculated with this improved model. The internal degrees of freedom as well as the average particle mass and specific heat ratio of the polyatomic vapor, which strongly depends on the temperature, pressure and plasma non-equilibrium degree and plays a crucial role in the accurate determination of the ablation behavior by this model, are also taken into account. Our assessment showed the significance of including such modifications related to the non-equilibrium effect in the study of vaporization of heated compound materials in ablation controlled arcs. Additionally, a two-temperature magneto-hydrodynamic (MHD) model accounting for the thermal non-equilibrium occurring near the wall surface is developed and applied into an ablation-dominated discharge for an electro-thermal chemical launch device. Special attention is paid to the interaction between the non-equilibrium plasma and the solid propellant surface. Both the mass exchange process caused by the wall ablation and plasma species deposition as well as the associated momentum and energy exchange processes are taken into account. A detailed comparison of the results of the non-equilibrium model with those of an equilibrium model is presented. The non-equilibrium results
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 ...
Nonequilibrium molecular dynamics: The first 25 years
International Nuclear Information System (INIS)
Hoover, W.G.
1992-08-01
Equilibrium Molecular Dynamics has been generalized to simulate Nonequilibrium systems by adding sources of thermodynamic heat and work. This generalization incorporates microscopic mechanical definitions of macroscopic thermodynamic and hydrodynamic variables, such as temperature and stress, and augments atomistic forces with special boundary, constraint, and driving forces capable of doing work on, and exchanging heat with, an otherwise Newtonian system. The underlying Lyapunov instability of these nonequilibrium equations of motion links microscopic time-reversible deterministic trajectories to macroscopic time-irreversible hydrodynamic behavior as described by the Second Law of Thermodynamics. Green-Kubo linear-response theory has been checked. Nonlinear plastic deformation, intense heat conduction, shockwave propagation, and nonequilibrium phase transformation have all been simulated. The nonequilibrium techniques, coupled with qualitative improvements in parallel computer hardware, are enabling simulations to approximate real-world microscale and nanoscale experiments
Nonequilibrium Green's functions approach to inhomogeneous systems
Balzer, Karsten
2013-01-01
This book offers a self-contained introduction to non-equilibrium quantum particle dynamics for inhomogeneous systems, including a survey of recent breakthroughs pioneered by the authors and others. The approach is based on real-time Green's functions.
Directory of Open Access Journals (Sweden)
Borovský Michal
2016-01-01
Full Text Available The population annealing algorithm is a novel approach to study systems with rough free-energy landscapes, such as spin glasses. It combines the power of simulated annealing, Boltzmann weighted differential reproduction and sequential Monte Carlo process to bring the population of replicas to the equilibrium even in the low-temperature region. Moreover, it provides a very good estimate of the free energy. The fact that population annealing algorithm is performed over a large number of replicas with many spin updates, makes it a good candidate for massive parallelism. We chose the GPU programming using a CUDA implementation to create a highly optimized simulation. It has been previously shown for the frustrated Ising antiferromagnet on the stacked triangular lattice with a ferromagnetic interlayer coupling, that standard Markov Chain Monte Carlo simulations fail to equilibrate at low temperatures due to the effect of kinetic freezing of the ferromagnetically ordered chains. We applied the population annealing to study the case with the isotropic intra- and interlayer antiferromagnetic coupling (J2/|J1| = −1. The reached ground states correspond to non-magnetic degenerate states, where chains are antiferromagnetically ordered, but there is no long-range ordering between them, which is analogical with Wannier phase of the 2D triangular Ising antiferromagnet.
Indian Academy of Sciences (India)
The Course will consist of stimulating experiments in different branches of chemistry covering diverse topics such as chemical kinetics, electrochemistry, spectrophotometry, polymer chemistry, advanced synthesis in inorganic and organic chemistry, and molecular modeling. The focus of this Course is to acquaint the ...
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.
Plasma wave instabilities in nonequilibrium graphene
DEFF Research Database (Denmark)
Aryal, Chinta M.; Hu, Ben Yu-Kuang; Jauho, Antti-Pekka
2016-01-01
We study two-stream instabilities in a nonequilibrium system in which a stream of electrons is injected into doped graphene. As with equivalent nonequilibrium parabolic band systems, we find that the graphene systems can support unstable charge-density waves whose amplitudes grow with time. We...... of the injected electrons that maximizes the growth rate increases with increasing | q |. We compare the range and strength of the instability in graphene to that of two- and three-dimensional parabolic band systems....
An extended chain Ising model and its Glauber dynamics
International Nuclear Information System (INIS)
Zhao Xing-Yu; Fan Xiao-Hui; Huang Yi-Neng; Huang Xin-Ru
2012-01-01
It was first proposed that an extended chain Ising (ECI) model contains the Ising chain model, single spin double-well potentials and a pure phonon heat bath of a specific energy exchange with the spins. The extension method is easy to apply to high dimensional cases. Then the single spin-flip probability (rate) of the ECI model is deduced based on the Boltzmann principle and general statistical principles of independent events and the model is simplified to an extended chain Glauber—Ising (ECGI) model. Moreover, the relaxation dynamics of the ECGI model were simulated by the Monte Carlo method and a comparison with the predictions of the special chain Glauber—Ising (SCGI) model was presented. It was found that the results of the two models are consistent with each other when the Ising chain length is large enough and temperature is relative low, which is the most valuable case of the model applications. These show that the ECI model will provide a firm physical base for the widely used single spin-flip rate proposed by Glauber and a possible route to obtain the single spin-flip rate of other form and even the multi-spin-flip rate. (condensed matter: electronic structure, electrical, magnetic, and optical properties)
Infinite cascades of phase transitions in the classical Ising chain
Timonin, P. N.; Chitov, Gennady Y.
2017-12-01
We report exact results on one of the best studied models in statistical physics: the classical antiferromagnetic Ising chain in a magnetic field. We show that the model possesses an infinite cascade of thermal phase transitions (also known as disorder lines or geometric phase transitions). The phase transition is signaled by a change of asymptotic behavior of the nonlocal string-string correlation functions when their monotonic decay becomes modulated by incommensurate oscillations. The transitions occur for rarefied (m -periodic) strings with arbitrary odd m . We propose a duality transformation which maps the Ising chain onto the m -leg Ising tube with nearest-neighbor couplings along the legs and the plaquette four-spin interactions of adjacent legs. Then the m -string correlation functions of the Ising chain are mapped onto the two-point spin-spin correlation functions along the legs of the m -leg tube. We trace the origin of these cascades of phase transitions to the lines of the Lee-Yang zeros of the Ising chain in m -periodic complex magnetic field, allowing us to relate these zeros to the observable (and potentially measurable) quantities.
Quantum simulation of transverse Ising models with Rydberg atoms
Schauss, Peter
2018-04-01
Quantum Ising models are canonical models for the study of quantum phase transitions (Sachdev 1999 Quantum Phase Transitions (Cambridge: Cambridge University Press)) and are the underlying concept for many analogue quantum computing and quantum annealing ideas (Tanaka et al Quantum Spin Glasses, Annealing and Computation (Cambridge: Cambridge University Press)). Here we focus on the implementation of finite-range interacting Ising spin models, which are barely tractable numerically. Recent experiments with cold atoms have reached the interaction-dominated regime in quantum Ising magnets via optical coupling of trapped neutral atoms to Rydberg states. This approach allows for the tunability of all relevant terms in an Ising spin Hamiltonian with 1/{r}6 interactions in transverse and longitudinal fields. This review summarizes the recent progress of these implementations in Rydberg lattices with site-resolved detection. Strong correlations in quantum Ising models have been observed in several experiments, starting from a single excitation in the superatom regime up to the point of crystallization. The rapid progress in this field makes spin systems based on Rydberg atoms a promising platform for quantum simulation because of the unmatched flexibility and strength of interactions combined with high control and good isolation from the environment.
Localization and Symmetry Breaking in the Quantum Quasiperiodic Ising Glass
Directory of Open Access Journals (Sweden)
A. Chandran
2017-09-01
Full Text Available Quasiperiodic modulation can prevent isolated quantum systems from equilibrating by localizing their degrees of freedom. In this article, we show that such systems can exhibit dynamically stable long-range orders forbidden in equilibrium. Specifically, we show that the interplay of symmetry breaking and localization in the quasiperiodic quantum Ising chain produces a quasiperiodic Ising glass stable at all energy densities. The glass order parameter vanishes with an essential singularity at the melting transition with no signatures in the equilibrium properties. The zero-temperature phase diagram is also surprisingly rich, consisting of paramagnetic, ferromagnetic, and quasiperiodically alternating ground-state phases with extended, localized, and critically delocalized low-energy excitations. The system exhibits an unusual quantum Ising transition whose properties are intermediate between those of the clean and infinite randomness Ising transitions. Many of these results follow from a geometric generalization of the Aubry-André duality that we develop. The quasiperiodic Ising glass may be realized in near-term quantum optical experiments.
Nonequilibrium quantum meson gas: Dimensional reduction
Alvarez-Estrada, R. F.
2009-07-01
A nonequilibrium quantum gas of interacting relativistic effective mesons, ressembling qualitatively those produced in a heavy-ion collision, is described by a scalar φ^{{4}}_{} quantum field in (1 + 3) -dimensional Minkowski space. For high temperature and large temporal and spatial scales, we justify that classical statistical mechanics including quantum renormalization effects describe approximately the gas: nonequilibrium dimensional reduction (NEDR). As a source of hints, we treat the gas at equilibrium in real-time formalism and obtain simplifications for high temperature and large spatial scales, thereby extending a useful equilibrium dimensional reduction known for the imaginary-time formalism. By assumption, the nonequilibrium initial state of the gas, not far from thermal equilibrium, includes interactions and inhomogeneities. We use nonequilibrium real-time generating functionals and correlators at nonzero temperature. In the NEDR regime, our arguments yield: 1) renormalized correlators simplify, 2) the perturbative series for those simplified correlators can be resummed into a new nonequilibrium generating functional, Z’ r, dr , which is super-renormalizable and includes renormalization effects (large position-dependent thermal self-energies and effective couplings). Z’ r, dr could enable to study nonperturbatively changes in the phase structures of the field, by proceeding from the nonequilibrium quantum regime to the NEDR one.
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.).
Mesoscopic non-equilibrium thermodynamic analysis of molecular motors.
Kjelstrup, S; Rubi, J M; Pagonabarraga, I; Bedeaux, D
2013-11-28
We show that the kinetics of a molecular motor fueled by ATP and operating between a deactivated and an activated state can be derived from the principles of non-equilibrium thermodynamics applied to the mesoscopic domain. The activation by ATP, the possible slip of the motor, as well as the forward stepping carrying a load are viewed as slow diffusion along a reaction coordinate. Local equilibrium is assumed in the reaction coordinate spaces, making it possible to derive the non-equilibrium thermodynamic description. Using this scheme, we find expressions for the velocity of the motor, in terms of the driving force along the spacial coordinate, and for the chemical reaction that brings about activation, in terms of the chemical potentials of the reactants and products which maintain the cycle. The second law efficiency is defined, and the velocity corresponding to maximum power is obtained for myosin movement on actin. Experimental results fitting with the description are reviewed, giving a maximum efficiency of 0.45 at a myosin headgroup velocity of 5 × 10(-7) m s(-1). The formalism allows the introduction and test of meso-level models, which may be needed to explain experiments.
Fundamental aspects of plasma chemical physics kinetics
Capitelli, Mario; Colonna, Gianpiero; Esposito, Fabrizio; Gorse, Claudine; Hassouni, Khaled; Laricchiuta, Annarita; Longo, Savino
2016-01-01
Describing non-equilibrium "cold" plasmas through a chemical physics approach, this book uses the state-to-state plasma kinetics, which considers each internal state as a new species with its own cross sections. Extended atomic and molecular master equations are coupled with Boltzmann and Monte Carlo methods to solve the electron energy distribution function. Selected examples in different applied fields, such as microelectronics, fusion, and aerospace, are presented and discussed including the self-consistent kinetics in RF parallel plate reactors, the optimization of negative ion sources and the expansion of high enthalpy flows through nozzles of different geometries. The book will cover the main aspects of the state-to-state kinetic approach for the description of nonequilibrium cold plasmas, illustrating the more recent achievements in the development of kinetic models including the self-consistent coupling of master equations and Boltzmann equation for electron dynamics. To give a complete portrayal, the...
Conformal invariance in the long-range Ising model
Directory of Open Access Journals (Sweden)
Miguel F. Paulos
2016-01-01
Full Text Available We consider the question of conformal invariance of the long-range Ising model at the critical point. The continuum description is given in terms of a nonlocal field theory, and the absence of a stress tensor invalidates all of the standard arguments for the enhancement of scale invariance to conformal invariance. We however show that several correlation functions, computed to second order in the epsilon expansion, are nontrivially consistent with conformal invariance. We proceed to give a proof of conformal invariance to all orders in the epsilon expansion, based on the description of the long-range Ising model as a defect theory in an auxiliary higher-dimensional space. A detailed review of conformal invariance in the d-dimensional short-range Ising model is also included and may be of independent interest.
An Ising spin state explanation for financial asset allocation
Horvath, Philip A.; Roos, Kelly R.; Sinha, Amit
2016-03-01
We build on the developments in the application of statistical mechanics, notably the identity of the spin degree of freedom in the Ising model, to explain asset price dynamics in financial markets with a representative agent. Specifically, we consider the value of an individual spin to represent the proportional holdings in various assets. We use partial moment arguments to identify asymmetric reactions to information and develop an extension of a plunging and dumping model. This unique identification of the spin is a relaxation of the conventional discrete state limitation on an Ising spin to accommodate a new archetype in Ising model-finance applications wherein spin states may take on continuous values, and may evolve in time continuously, or discretely, depending on the values of the partial moments.
Relaxation theory of spin-3/2 Ising system near phase transition temperatures
International Nuclear Information System (INIS)
Canko, Osman; Keskin, Mustafa
2010-01-01
Dynamics of a spin-3/2 Ising system Hamiltonian with bilinear and biquadratic nearest-neighbour exchange interactions is studied by a simple method in which the statistical equilibrium theory is combined with the Onsager's theory of irreversible thermodynamics. First, the equilibrium behaviour of the model in the molecular-field approximation is given briefly in order to obtain the phase transition temperatures, i.e. the first- and second-order and the tricritical points. Then, the Onsager theory is applied to the model and the kinetic or rate equations are obtained. By solving these equations three relaxation times are calculated and their behaviours are examined for temperatures near the phase transition points. Moreover, the z dynamic critical exponent is calculated and compared with the z values obtained for different systems experimentally and theoretically, and they are found to be in good agrement. (general)
Analysis of non-equilibrium phenomena in inductively coupled plasma generators
Energy Technology Data Exchange (ETDEWEB)
Zhang, W.; Panesi, M., E-mail: mpanesi@illinois.edu [University of Illinois at Urbana-Champaign, Urbana, Illinois 61822 (United States); Lani, A. [Von Karman Institute for Fluid Dynamics, Rhode-Saint-Genèse (Belgium)
2016-07-15
This work addresses the modeling of non-equilibrium phenomena in inductively coupled plasma discharges. In the proposed computational model, the electromagnetic induction equation is solved together with the set of Navier-Stokes equations in order to compute the electromagnetic and flow fields, accounting for their mutual interaction. Semi-classical statistical thermodynamics is used to determine the plasma thermodynamic properties, while transport properties are obtained from kinetic principles, with the method of Chapman and Enskog. Particle ambipolar diffusive fluxes are found by solving the Stefan-Maxwell equations with a simple iterative method. Two physico-mathematical formulations are used to model the chemical reaction processes: (1) A Local Thermodynamics Equilibrium (LTE) formulation and (2) a thermo-chemical non-equilibrium (TCNEQ) formulation. In the TCNEQ model, thermal non-equilibrium between the translational energy mode of the gas and the vibrational energy mode of individual molecules is accounted for. The electronic states of the chemical species are assumed in equilibrium with the vibrational temperature, whereas the rotational energy mode is assumed to be equilibrated with translation. Three different physical models are used to account for the coupling of chemistry and energy transfer processes. Numerical simulations obtained with the LTE and TCNEQ formulations are used to characterize the extent of non-equilibrium of the flow inside the Plasmatron facility at the von Karman Institute. Each model was tested using different kinetic mechanisms to assess the sensitivity of the results to variations in the reaction parameters. A comparison of temperatures and composition profiles at the outlet of the torch demonstrates that the flow is in non-equilibrium for operating conditions characterized by pressures below 30 000 Pa, frequency 0.37 MHz, input power 80 kW, and mass flow 8 g/s.
Non-equilibrium dissipative supramolecular materials with a tunable lifetime
Tena-Solsona, Marta; Rieß, Benedikt; Grötsch, Raphael K.; Löhrer, Franziska C.; Wanzke, Caren; Käsdorf, Benjamin; Bausch, Andreas R.; Müller-Buschbaum, Peter; Lieleg, Oliver; Boekhoven, Job
2017-07-01
Many biological materials exist in non-equilibrium states driven by the irreversible consumption of high-energy molecules like ATP or GTP. These energy-dissipating structures are governed by kinetics and are thus endowed with unique properties including spatiotemporal control over their presence. Here we show man-made equivalents of materials driven by the consumption of high-energy molecules and explore their unique properties. A chemical reaction network converts dicarboxylates into metastable anhydrides driven by the irreversible consumption of carbodiimide fuels. The anhydrides hydrolyse rapidly to the original dicarboxylates and are designed to assemble into hydrophobic colloids, hydrogels or inks. The spatiotemporal control over the formation and degradation of materials allows for the development of colloids that release hydrophobic contents in a predictable fashion, temporary self-erasing inks and transient hydrogels. Moreover, we show that each material can be re-used for several cycles.
Nonequilibrium quark production in the expanding QCD plasma
Tanji, Naoto; Berges, Jürgen
2018-02-01
We perform real-time lattice simulations of nonequilibrium quark production in the longitudinally expanding QCD plasma. Starting from a highly occupied gluonic state with vacuum quark sector, we extract the time evolution of quark and gluon number densities per unit transverse area and rapidity. The total quark number shows after an initial rapid increase an almost linear growth with time. Remarkably, this growth rate appears to be consistent with a simple kinetic theory estimate involving only two-to-two scattering processes in small-angle approximation. This extends previous findings about the role of two-to-two scatterings for purely gluonic dynamics in accordance with the early stages of the bottom-up thermalization scenario.
Nonequilibrium evaporation and condensation during a uranium dioxide fuel expansion
International Nuclear Information System (INIS)
Refling, J.G. Jr.
1976-01-01
Effects of nonequilibrium rates of evaporation and condensation on the expansion of two-phase fuel in an LMFBR core disruptive accident were studied. The rates were determined from kinetic theory. Conservation equations for mass, momentum and energy were written for both phases. The resulting equations were solved numerically and compared with analyses which assumed that thermodynamic equilibrium could be maintained throughout the expansion. A parametric study was performed on the effective liquid-surface area, which includes the effects of both liquid surface area and the evaporation and condensation coefficients. Liquid and two-phase thermodynamic properties for the fuel were already available; however, gas phase properties were developed as part of this study
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.
The nonextensive parameter for nonequilibrium electron gas in an electromagnetic field
International Nuclear Information System (INIS)
Yu, Haining; Du, Jiulin
2014-01-01
The nonextensive parameter for nonequilibrium electron gas of the plasma in an electromagnetic field is studied. We exactly obtained an expression of the q-parameter based on Boltzmann kinetic theories for plasmas, where Coulombian interactions and Lorentz forces play dominant roles. We show that the q-parameter different from unity is related by an equation to temperature gradient, electric field strength, magnetic induction as well as overall bulk velocity of the gas. The effect of the magnetic field on the q-parameter depends on the overall bulk velocity. Thus the q-parameter for the electron gas in an electromagnetic field represents the nonequilibrium nature or nonisothermal configurations of the plasma with electromagnetic interactions. - Highlights: • An expression of the q-parameter is obtained for nonequilibrium plasma with electromagnetic interactions. • The q-parameter is related to temperature gradient, electric field strength, magnetic induction as well as overall bulk velocity of the plasma. • The q-parameter represents the nonequilibrium nature of the complex plasma with electromagnetic interactions
Astumian, R D
2018-01-11
In the absence of input energy, a chemical reaction in a closed system ineluctably relaxes toward an equilibrium state governed by a Boltzmann distribution. The addition of a catalyst to the system provides a way for more rapid equilibration toward this distribution, but the catalyst can never, in and of itself, drive the system away from equilibrium. In the presence of external fluctuations, however, a macromolecular catalyst (e.g., an enzyme) can absorb energy and drive the formation of a steady state between reactant and product that is not determined solely by their relative energies. Due to the ubiquity of non-equilibrium steady states in living systems, the development of a theory for the effects of external fluctuations on chemical systems has been a longstanding focus of non-equilibrium thermodynamics. The theory of stochastic pumping has provided insight into how a non-equilibrium steady-state can be formed and maintained in the presence of dissipation and kinetic asymmetry. This effort has been greatly enhanced by a confluence of experimental and theoretical work on synthetic molecular machines designed explicitly to harness external energy to drive non-equilibrium transport and self-assembly.
On real space scalings for the transverse Ising model
International Nuclear Information System (INIS)
Santos, R.M.Z. dos; Santos, Raimundo R. dos
1984-01-01
The use of self-dual clusters to investigate the critical properties of the quantum tranverse Ising model is discussed. It is shown how calculations can be simplified by means of a partial decimation. The results using self-dual clusters are generally more accurate than those obtained by a simple decimation sheme. (Author) [pt
Inverse Ising problem in continuous time: A latent variable approach
Donner, Christian; Opper, Manfred
2017-12-01
We consider the inverse Ising problem: the inference of network couplings from observed spin trajectories for a model with continuous time Glauber dynamics. By introducing two sets of auxiliary latent random variables we render the likelihood into a form which allows for simple iterative inference algorithms with analytical updates. The variables are (1) Poisson variables to linearize an exponential term which is typical for point process likelihoods and (2) Pólya-Gamma variables, which make the likelihood quadratic in the coupling parameters. Using the augmented likelihood, we derive an expectation-maximization (EM) algorithm to obtain the maximum likelihood estimate of network parameters. Using a third set of latent variables we extend the EM algorithm to sparse couplings via L1 regularization. Finally, we develop an efficient approximate Bayesian inference algorithm using a variational approach. We demonstrate the performance of our algorithms on data simulated from an Ising model. For data which are simulated from a more biologically plausible network with spiking neurons, we show that the Ising model captures well the low order statistics of the data and how the Ising couplings are related to the underlying synaptic structure of the simulated network.
Inverse Ising problem in continuous time: A latent variable approach.
Donner, Christian; Opper, Manfred
2017-12-01
We consider the inverse Ising problem: the inference of network couplings from observed spin trajectories for a model with continuous time Glauber dynamics. By introducing two sets of auxiliary latent random variables we render the likelihood into a form which allows for simple iterative inference algorithms with analytical updates. The variables are (1) Poisson variables to linearize an exponential term which is typical for point process likelihoods and (2) Pólya-Gamma variables, which make the likelihood quadratic in the coupling parameters. Using the augmented likelihood, we derive an expectation-maximization (EM) algorithm to obtain the maximum likelihood estimate of network parameters. Using a third set of latent variables we extend the EM algorithm to sparse couplings via L1 regularization. Finally, we develop an efficient approximate Bayesian inference algorithm using a variational approach. We demonstrate the performance of our algorithms on data simulated from an Ising model. For data which are simulated from a more biologically plausible network with spiking neurons, we show that the Ising model captures well the low order statistics of the data and how the Ising couplings are related to the underlying synaptic structure of the simulated network.
A simple approximation method for dilute Ising systems
International Nuclear Information System (INIS)
Saber, M.
1996-10-01
We describe a simple approximate method to analyze dilute Ising systems. The method takes into consideration the fluctuations of the effective field, and is based on a probability distribution of random variables which correctly accounts for all the single site kinematic relations. It is shown that the simplest approximation gives satisfactory results when compared with other methods. (author). 12 refs, 2 tabs
Commuting quantum circuits and complexity of Ising partition functions
International Nuclear Information System (INIS)
Fujii, Keisuke; Morimae, Tomoyuki
2017-01-01
Instantaneous quantum polynomial-time (IQP) computation is a class of quantum computation consisting only of commuting two-qubit gates and is not universal. Nevertheless, it has been shown that if there is a classical algorithm that can simulate IQP efficiently, the polynomial hierarchy collapses to the third level, which is highly implausible. However, the origin of the classical intractability is still less understood. Here we establish a relationship between IQP and computational complexity of calculating the imaginary-valued partition functions of Ising models. We apply the established relationship in two opposite directions. One direction is to find subclasses of IQP that are classically efficiently simulatable by using exact solvability of certain types of Ising models. Another direction is applying quantum computational complexity of IQP to investigate (im)possibility of efficient classical approximations of Ising partition functions with imaginary coupling constants. Specifically, we show that a multiplicative approximation of Ising partition functions is #P-hard for almost all imaginary coupling constants even on planar lattices of a bounded degree. (paper)
Partition function of nearest neighbour Ising models: Some new ...
Indian Academy of Sciences (India)
Administrator
insights. †. G NANDHINI and M V SANGARANARAYANAN*. Department of Chemistry, Indian Institute of Technology Madras, Chennai 600 036 e-mail: sangara@iitm.ac.in. Abstract. The partition function for one-dimensional nearest neighbour Ising models is estimated by summing all the energy terms in the Hamiltonian for ...
The dilute random field Ising model by finite cluster approximation
International Nuclear Information System (INIS)
Benyoussef, A.; Saber, M.
1987-09-01
Using the finite cluster approximation, phase diagrams of bond and site diluted three-dimensional simple cubic Ising models with a random field have been determined. The resulting phase diagrams have the same general features for both bond and site dilution. (author). 7 refs, 4 figs
Entanglement dynamics in critical random quantum Ising chain with perturbations
Huang, Yichen
2017-05-01
We simulate the entanglement dynamics in a critical random quantum Ising chain with generic perturbations using the time-evolving block decimation algorithm. Starting from a product state, we observe super-logarithmic growth of entanglement entropy with time. The numerical result is consistent with the analytical prediction of Vosk and Altman using a real-space renormalization group technique.
Correlation effects in the Ising model in an external field
International Nuclear Information System (INIS)
Borges, H.E.; Silva, P.R.
1983-01-01
The thermodynamic properties of the spin-1/2 Ising Model in an external field are evaluated through the use of the exponential differential operator method and Callen's exact relations. The correlations effects are treated in a phenomenological approach and the results are compared with other treatments. (Author) [pt
The Relationship between Macroeconomic Variables and ISE Industry Index
Directory of Open Access Journals (Sweden)
Ahmet Ozcan
2012-01-01
Full Text Available In this study, the relationship between macroeconomic variables and Istanbul Stock Exchange (ISE industry index is examined. Over the past years, numerous studies have analyzed these relationships and the different results obtained from these studies have motivated further research. The relationship between stock exchange index and macroeconomic variables has been well documented for the developed markets. However, there are few studies regarding the relationship between macroeconomic variables and stock exchange index for the developing markets. Thus, this paper seeks to address the question of whether macroeconomic variables have a significant relationship with ISE industry index using monthly data for the period from 2003 to 2010. The selected macroeconomic variables for the study include interest rates, consumer price index, money supply, exchange rate, gold prices, oil prices, current account deficit and export volume. The Johansen’s cointegration test is utilized to determine the impact of selected macroeconomic variables on ISE industry index. The result of the Johansen’s cointegration shows that macroeconomic variables exhibit a long run equilibrium relationship with the ISE industry index.
Conformal invariance in the long-range Ising model
Paulos, M.F.; Rychkov, S.; van Rees, B.C.; Zan, B.
We consider the question of conformal invariance of the long-range Ising model at the critical point. The continuum description is given in terms of a nonlocal field theory, and the absence of a stress tensor invalidates all of the standard arguments for the enhancement of scale invariance to
Antiphase phenomena in 2d ising square lattice | Sitamtze | African ...
African Journals Online (AJOL)
Monte Carlo simulations of the two dimensional Ising model were carried out to determine the impact of Antiphase Boundaries (APBs) in some thermodynamic functions of the system. We considered several lattice sizes and sometimes both Ferromagnetic (FM) and Antiferromagnetic (AFM) interactions for the same lattice.
Ising antiferromagnet with mobile, pinned, and quenched defects
Directory of Open Access Journals (Sweden)
W.Selk
2005-01-01
Full Text Available Motivated by recent experiments on (Sr,Ca,La14Cu24O41, a two-dimensional Ising antiferromagnet with mobile, locally pinned and quenched defects is introduced and analyzed using mainly Monte Carlo techniques. The interplay between the arrangement of the defects and the magnetic ordering as well as the effect of an external field are studied.
Non-Abelian anyons: when Ising meets Fibonacci
Grosfeld, E.; Schoutens, K.
2009-01-01
We consider an interface between two non-Abelian quantum Hall states: the Moore-Read state, supporting Ising anyons, and the k=2 non-Abelian spin-singlet state, supporting Fibonacci anyons. It is shown that the interface supports neutral excitations described by a (1+1)-dimensional conformal field
(AJST) ANTIPHASE PHENOMENA IN 2D ISING SQUARE LATTICE
African Journals Online (AJOL)
especially in the binary alloys that are moreover described by the Ising model. INTRODUCTION. Crystal structures are described with the help of the. Bravais lattices that classify them in systems according to the arrangement of atoms in the elementary cell. Nevertheless, the arrangement of atoms in most crystals is different ...
The quantum Ising spin glass at /T=0
Rozenberg, M. J.; Arrachea, L.
2002-03-01
We study the behavior of the fully connected Ising spin glass in a transverse field Γ at T=0 by exact diagonalization techniques. We find that the order parameter grows linearly with Γc-Γ below Γc. The exact diagonalization method shows a rather good scaling behavior to the large system limit.
Nonequilibrium molecular dynamics theory, algorithms and applications
Todd, Billy D
2017-01-01
Written by two specialists with over twenty-five years of experience in the field, this valuable text presents a wide range of topics within the growing field of nonequilibrium molecular dynamics (NEMD). It introduces theories which are fundamental to the field - namely, nonequilibrium statistical mechanics and nonequilibrium thermodynamics - and provides state-of-the-art algorithms and advice for designing reliable NEMD code, as well as examining applications for both atomic and molecular fluids. It discusses homogenous and inhomogenous flows and pays considerable attention to highly confined fluids, such as nanofluidics. In addition to statistical mechanics and thermodynamics, the book covers the themes of temperature and thermodynamic fluxes and their computation, the theory and algorithms for homogenous shear and elongational flows, response theory and its applications, heat and mass transport algorithms, applications in molecular rheology, highly confined fluids (nanofluidics), the phenomenon of slip and...
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...
Nonequilibrium thermodynamics of restricted Boltzmann machines
Salazar, Domingos S. P.
2017-08-01
In this work, we analyze the nonequilibrium thermodynamics of a class of neural networks known as restricted Boltzmann machines (RBMs) in the context of unsupervised learning. We show how the network is described as a discrete Markov process and how the detailed balance condition and the Maxwell-Boltzmann equilibrium distribution are sufficient conditions for a complete thermodynamics description, including nonequilibrium fluctuation theorems. Numerical simulations in a fully trained RBM are performed and the heat exchange fluctuation theorem is verified with excellent agreement to the theory. We observe how the contrastive divergence functional, mostly used in unsupervised learning of RBMs, is closely related to nonequilibrium thermodynamic quantities. We also use the framework to interpret the estimation of the partition function of RBMs with the annealed importance sampling method from a thermodynamics standpoint. Finally, we argue that unsupervised learning of RBMs is equivalent to a work protocol in a system driven by the laws of thermodynamics in the absence of labeled data.
Non-equilibrium and band tailing in organic conductors
Indian Academy of Sciences (India)
. Non-equilibrium due to coupling between applied energy and free electrons can be responsible for the exponential relaxation from non-equilibrium to equilibrium. Keywords. Band tailing; organic conductors; IR spectra; electrical resistivity.
Canonical operator formulation of nonequilibrium thermodynamics
International Nuclear Information System (INIS)
Mehrafarin, M.
1992-09-01
A novel formulation of nonequilibrium thermodynamics is proposed which emphasises the fundamental role played by the Boltzmann constant k in fluctuations. The equivalence of this and the stochastic formulation is demonstrated. The k → 0 limit of this theory yields the classical deterministic description of nonequilibrium thermodynamics. The new formulation possesses unique features which bear two important results namely the thermodynamic uncertainty principle and the quantisation of entropy production rate. Such a theory becomes indispensable whenever fluctuations play a significant role. (author). 7 refs
On the excess energy of nonequilibrium plasma
International Nuclear Information System (INIS)
Timofeev, A. V.
2012-01-01
The energy that can be released in plasma due to the onset of instability (the excess plasma energy) is estimated. Three potentially unstable plasma states are considered, namely, plasma with an anisotropic Maxwellian velocity distribution of plasma particles, plasma with a two-beam velocity distribution, and an inhomogeneous plasma in a magnetic field with a local Maxwellian velocity distribution. The excess energy can serve as a measure of the degree to which plasma is nonequilibrium. In particular, this quantity can be used to compare plasmas in different nonequilibrium states.
International Nuclear Information System (INIS)
Nagler, S.E.
1989-01-01
We report on the progress of our project entitled ''X-ray Scattering Studies of Non-Equilibrium Ordering Processes.'' In-house time-resolved x-ray scattering has been used to investigate ordering kinetics in single crystal thin films of Cu 3 Au. Scaling analysis of the results shows that two dimensional kinetic behavior is observed in 260 /angstrom/ thick films. Significant improvements have been made in the local capabilities for fast time resolved measurements and data analysis. Measurements of microphase separation and ordering kinetics have been made in block-co-polymers, and experiments on Au-Cd martensitic material are continuing. 15 refs., 7 figs
Modeling interfacial dynamics using nonequilibrium thermodynamics frameworks
Sagis, L.M.C.
2013-01-01
In recent years several nonequilibrium thermodynamic frameworks have been developed capable of describing the dynamics of multiphase systems with complex microstructured interfaces. In this paper we present an overview of these frameworks. We will discuss interfacial dynamics in the context of the
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
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...
Foundations of modelling of nonequilibrium low-temperature plasmas
Alves, L. L.; Bogaerts, A.; Guerra, V.; Turner, M. M.
2018-02-01
This work explains the need for plasma models, introduces arguments for choosing the type of model that better fits the purpose of each study, and presents the basics of the most common nonequilibrium low-temperature plasma models and the information available from each one, along with an extensive list of references for complementary in-depth reading. The paper presents the following models, organised according to the level of multi-dimensional description of the plasma: kinetic models, based on either a statistical particle-in-cell/Monte-Carlo approach or the solution to the Boltzmann equation (in the latter case, special focus is given to the description of the electron kinetics); multi-fluid models, based on the solution to the hydrodynamic equations; global (spatially-average) models, based on the solution to the particle and energy rate-balance equations for the main plasma species, usually including a very complete reaction chemistry; mesoscopic models for plasma–surface interaction, adopting either a deterministic approach or a stochastic dynamical Monte-Carlo approach. For each plasma model, the paper puts forward the physics context, introduces the fundamental equations, presents advantages and limitations, also from a numerical perspective, and illustrates its application with some examples. Whenever pertinent, the interconnection between models is also discussed, in view of multi-scale hybrid approaches.
Role of Sink Density in Nonequilibrium Chemical Redistribution in Alloys
Martínez, Enrique; Senninger, Oriane; Caro, Alfredo; Soisson, Frédéric; Nastar, Maylise; Uberuaga, Blas P.
2018-03-01
Nonequilibrium chemical redistribution in open systems submitted to external forces, such as particle irradiation, leads to changes in the structural properties of the material, potentially driving the system to failure. Such redistribution is controlled by the complex interplay between the production of point defects, atomic transport rates, and the sink character of the microstructure. In this work, we analyze this interplay by means of a kinetic Monte Carlo (KMC) framework with an underlying atomistic model for the Fe-Cr model alloy to study the effect of ideal defect sinks on Cr concentration profiles, with a particular focus on the role of interface density. We observe that the amount of segregation decreases linearly with decreasing interface spacing. Within the framework of the thermodynamics of irreversible processes, a general analytical model is derived and assessed against the KMC simulations to elucidate the structure-property relationship of this system. Interestingly, in the kinetic regime where elimination of point defects at sinks is dominant over bulk recombination, the solute segregation does not directly depend on the dose rate but only on the density of sinks. This model provides new insight into the design of microstructures that mitigate chemical redistribution and improve radiation tolerance.
Memory Effects and Nonequilibrium Correlations in the Dynamics of Open Quantum Systems
Morozov, V. G.
2018-01-01
We propose a systematic approach to the dynamics of open quantum systems in the framework of Zubarev's nonequilibrium statistical operator method. The approach is based on the relation between ensemble means of the Hubbard operators and the matrix elements of the reduced statistical operator of an open quantum system. This key relation allows deriving master equations for open systems following a scheme conceptually identical to the scheme used to derive kinetic equations for distribution functions. The advantage of the proposed formalism is that some relevant dynamical correlations between an open system and its environment can be taken into account. To illustrate the method, we derive a non-Markovian master equation containing the contribution of nonequilibrium correlations associated with energy conservation.
Röpke, G.
2018-01-01
One of the fundamental problems in physics that are not yet rigorously solved is the statistical mechanics of nonequilibrium processes. An important contribution to describing irreversible behavior starting from reversible Hamiltonian dynamics was given by D. N. Zubarev, who invented the method of the nonequilibrium statistical operator. We discuss this approach, in particular, the extended von Neumann equation, and as an example consider the electrical conductivity of a system of charged particles. We consider the selection of the set of relevant observables. We show the relation between kinetic theory and linear response theory. Using thermodynamic Green's functions, we present a systematic treatment of correlation functions, but the convergence needs investigation. We compare different expressions for the conductivity and list open questions.
Theoretical investigation of shock stand-off distance for non-equilibrium flows over spheres
Shen, Hua
2018-02-20
We derived a theoretical solution of the shock stand-off distance for a non-equilibrium flow over spheres based on Wen and Hornung’s solution and Olivier’s solution. Compared with previous approaches, the main advantage of the present approach is allowing an analytic solution without involving any semi-empirical parameter for the whole non-equilibrium flow regimes. The effects of some important physical quantities therefore can be fully revealed via the analytic solution. By combining the current solution with Ideal Dissociating Gas (IDG) model, we investigate the effects of free stream kinetic energy and free stream dissociation level (which can be very different between different facilities) on the shock stand-off distance.
Žunkovič, Bojan; Heyl, Markus; Knap, Michael; Silva, Alessandro
2018-03-01
We theoretically study the dynamics of a transverse-field Ising chain with power-law decaying interactions characterized by an exponent α , which can be experimentally realized in ion traps. We focus on two classes of emergent dynamical critical phenomena following a quantum quench from a ferromagnetic initial state: The first one manifests in the time-averaged order parameter, which vanishes at a critical transverse field. We argue that such a transition occurs only for long-range interactions α ≤2 . The second class corresponds to the emergence of time-periodic singularities in the return probability to the ground-state manifold which is obtained for all values of α and agrees with the order parameter transition for α ≤2 . We characterize how the two classes of nonequilibrium criticality correspond to each other and give a physical interpretation based on the symmetry of the time-evolved quantum states.
Study of spin crossover nanoparticles thermal hysteresis using FORC diagrams on an Ising-like model
International Nuclear Information System (INIS)
Atitoaie, Alexandru; Tanasa, Radu; Stancu, Alexandru; Enachescu, Cristian
2014-01-01
Recent developments in the synthesis and characterization of spin crossover (SCO) nanoparticles and their prospects of switching at molecular level turned these bistable compounds into possible candidates for replacing the materials used in recording media industry for development of solid state pressure and temperature sensors or for bringing contributions in engineering. Compared to bulk samples with the same chemical structure, SCO nanoparticles display different characteristics of the hysteretic and relaxation properties like the shift of the transition temperature towards lower values along with decrease of the hysteresis width with nanoparticles size. Using an Ising-like model with specific boundary conditions within a Monte Carlo procedure, we here reproduce most of the hysteretic properties of SCO nanoparticles by considering the interaction between spin crossover edge molecules and embedding surfactant molecules and we propose a complex analysis concerning the effect of the interactions and sizes during the thermal transition in systems of SCO nanoparticles by using the First Order Reversal Curves diagram method and by comparison with similar effects in mixed crystal systems. - Highlights: • The influence of size effects in spin crossover nanoparticles is analyzed. • The environment shifts the hysteresis loop towards lower temperatures. • First Order Reversal Curves technique is employed. • One determines the distributions of switching temperatures. • One disentangles between kinetics and non-kinetic parts of the hysteresis
Ising model on tangled chain - 1: Free energy and entropy
International Nuclear Information System (INIS)
Mejdani, R.
1993-04-01
In this paper we have considered an Ising model defined on tangled chain, in which more bonds have been added to those of pure Ising chain. to understand their competition, particularly between ferromagnetic and antiferromagnetic bonds, we have studied, using the transfer matrix method, some simple analytical calculations and an iterative algorithm, the behaviour of the free energy and entropy, particularly in the zero-field and zero temperature limit, for different configurations of the ferromagnetic tangled chain and different types of addition interaction (ferromagnetic or antiferromagnetic). We found that the condition J=J' between the ferromagnetic interaction J along the chain and the antiferromagnetic interaction J' across the chain is somewhat as a ''transition-region'' condition for this behaviour. Our results indicate also the existence of non-zero entropy at zero temperature. (author). 17 refs, 8 figs
Ecological risk assessment of TBT in Ise Bay.
Yamamoto, Joji; Yonezawa, Yoshitaka; Nakata, Kisaburo; Horiguchi, Fumio
2009-02-01
An ecological risk assessment of tributyltin (TBT) in Ise Bay was conducted using the margin of exposure (MOE) method. The assessment endpoint was defined to protect the survival, growth and reproduction of marine organisms. Sources of TBT in this study were assumed to be commercial vessels in harbors and navigation routes. Concentrations of TBT in Ise Bay were estimated using a three-dimensional hydrodynamic model, an ecosystem model and a chemical fate model. Estimated MOEs for marine organisms for 1990 and 2008 were approximately 0.1-2.0 and over 100 respectively, indicating a declining temporal trend in the probability of adverse effects. The chemical fate model predicts a much longer persistence of TBT in sediments than in the water column. Therefore, it is necessary to monitor the harmful effects of TBT on benthic organisms.
Precision Islands in the Ising and $O(N)$ Models
Kos, Filip; Simmons-Duffin, David; Vichi, Alessandro
2016-01-01
We make precise determinations of the leading scaling dimensions and operator product expansion (OPE) coefficients in the 3d Ising, $O(2)$, and $O(3)$ models from the conformal bootstrap with mixed correlators. We improve on previous studies by scanning over possible relative values of the leading OPE coefficients, which incorporates the physical information that there is only a single operator at a given scaling dimension. The scaling dimensions and OPE coefficients obtained for the 3d Ising model, $(\\Delta_{\\sigma}, \\Delta_{\\epsilon},\\lambda_{\\sigma\\sigma\\epsilon}, \\lambda_{\\epsilon\\epsilon\\epsilon}) = (0.5181489(10), 1.412625(10), 1.0518537(41), 1.532435(19))$, give the most precise determinations of these quantities to date.
History of the Lenz–Ising model 1965–1971
DEFF Research Database (Denmark)
Niss, Martin
2011-01-01
transitions, in the epoch from circa 1965 to 1970, where these phenomena were recognized as a research field in its own right. I focus on two questions: What kinds of insight into critical phenomena was the employment of the Lenz–Ising model thought to give? And how could a crude model, which the Lenz......–Ising model was thought to be, provide this understanding? I document that the model played several roles: At first, it played a role analogous to experimental data: hypotheses about real systems, in particular relations between critical exponents and what is now called the hypothesis of scaling, which...... was advanced by Benjamin Widom and others, were confronted with numerical results for the model, in particular the model’s so-called critical exponents. A positive result of a confrontation was seen as positive evidence for this hypothesis. The model was also used to gain insight into specific aspects...
The transverse spin-1 Ising model with random interactions
Energy Technology Data Exchange (ETDEWEB)
Bouziane, Touria [Department of Physics, Faculty of Sciences, University of Moulay Ismail, B.P. 11201 Meknes (Morocco)], E-mail: touria582004@yahoo.fr; Saber, Mohammed [Department of Physics, Faculty of Sciences, University of Moulay Ismail, B.P. 11201 Meknes (Morocco); Dpto. Fisica Aplicada I, EUPDS (EUPDS), Plaza Europa, 1, San Sebastian 20018 (Spain)
2009-01-15
The phase diagrams of the transverse spin-1 Ising model with random interactions are investigated using a new technique in the effective field theory that employs a probability distribution within the framework of the single-site cluster theory based on the use of exact Ising spin identities. A model is adopted in which the nearest-neighbor exchange couplings are independent random variables distributed according to the law P(J{sub ij})=p{delta}(J{sub ij}-J)+(1-p){delta}(J{sub ij}-{alpha}J). General formulae, applicable to lattices with coordination number N, are given. Numerical results are presented for a simple cubic lattice. The possible reentrant phenomenon displayed by the system due to the competitive effects between exchange interactions occurs for the appropriate range of the parameter {alpha}.
Free energy distribution function of a random Ising ferromagnet
International Nuclear Information System (INIS)
Dotsenko, Victor; Klumov, Boris
2012-01-01
We study the free energy distribution function of a weakly disordered Ising ferromagnet in terms of the D-dimensional random temperature Ginzburg–Landau Hamiltonian. It is shown that besides the usual Gaussian 'body' this distribution function exhibits non-Gaussian tails both in the paramagnetic and in the ferromagnetic phases. Explicit asymptotic expressions for these tails are derived. It is demonstrated that the tails are strongly asymmetric: the left tail (for large negative values of the free energy) is much slower than the right one (for large positive values of the free energy). It is argued that at the critical point the free energy of the random Ising ferromagnet in dimensions D < 4 is described by a non-trivial universal distribution function which is non-self-averaging
Thermalization, Error Correction, and Memory Lifetime for Ising Anyon Systems
Directory of Open Access Journals (Sweden)
Courtney G. Brell
2014-09-01
Full Text Available We consider two-dimensional lattice models that support Ising anyonic excitations and are coupled to a thermal bath. We propose a phenomenological model for the resulting short-time dynamics that includes pair creation, hopping, braiding, and fusion of anyons. By explicitly constructing topological quantum error-correcting codes for this class of system, we use our thermalization model to estimate the lifetime of the quantum information stored in the encoded spaces. To decode and correct errors in these codes, we adapt several existing topological decoders to the non-Abelian setting. We perform large-scale numerical simulations of these two-dimensional Ising anyon systems and find that the thresholds of these models range from 13% to 25%. To our knowledge, these are the first numerical threshold estimates for quantum codes without explicit additive structure.
Ising Processing Units: Potential and Challenges for Discrete Optimization
Energy Technology Data Exchange (ETDEWEB)
Coffrin, Carleton James [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Nagarajan, Harsha [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Bent, Russell Whitford [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2017-07-05
The recent emergence of novel computational devices, such as adiabatic quantum computers, CMOS annealers, and optical parametric oscillators, presents new opportunities for hybrid-optimization algorithms that leverage these kinds of specialized hardware. In this work, we propose the idea of an Ising processing unit as a computational abstraction for these emerging tools. Challenges involved in using and bench- marking these devices are presented, and open-source software tools are proposed to address some of these challenges. The proposed benchmarking tools and methodology are demonstrated by conducting a baseline study of established solution methods to a D-Wave 2X adiabatic quantum computer, one example of a commercially available Ising processing unit.
A MATLAB GUI to study Ising model phase transition
Thornton, Curtislee; Datta, Trinanjan
We have created a MATLAB based graphical user interface (GUI) that simulates the single spin flip Metropolis Monte Carlo algorithm. The GUI has the capability to study temperature and external magnetic field dependence of magnetization, susceptibility, and equilibration behavior of the nearest-neighbor square lattice Ising model. Since the Ising model is a canonical system to study phase transition, the GUI can be used both for teaching and research purposes. The presence of a Monte Carlo code in a GUI format allows easy visualization of the simulation in real time and provides an attractive way to teach the concept of thermal phase transition and critical phenomena. We will also discuss the GUI implementation to study phase transition in a classical spin ice model on the pyrochlore lattice.
Computational Analysis of 3D Ising Model Using Metropolis Algorithms
International Nuclear Information System (INIS)
Sonsin, A F; Cortes, M R; Nunes, D R; Gomes, J V; Costa, R S
2015-01-01
We simulate the Ising Model with the Monte Carlo method and use the algorithms of Metropolis to update the distribution of spins. We found that, in the specific case of the three-dimensional Ising Model, methods of Metropolis are efficient. Studying the system near the point of phase transition, we observe that the magnetization goes to zero. In our simulations we analyzed the behavior of the magnetization and magnetic susceptibility to verify the phase transition in a paramagnetic to ferromagnetic material. The behavior of the magnetization and of the magnetic susceptibility as a function of the temperature suggest a phase transition around KT/J ≈ 4.5 and was evidenced the problem of finite size of the lattice to work with large lattice. (paper)
2015-01-01
This book presents cutting-edge experimental and computational results and provides comprehensive coverage on the impact of non-equilibrium structure and dynamics on the properties of soft matter confined to the nanoscale. The book is organized into three main sections: · Equilibration and physical aging: by treating non-equilibrium phenomena with the formal methodology of statistical physics in bulk, the analysis of the kinetics of equilibration sheds new light on the physical origin of the non-equilibrium character of thin polymer films. Both the impact of sample preparation and that of interfacial interactions are analyzed using a large set of experiments. A historical overview of the investigation of the non-equilibrium character of thin polymer films is also presented. Furthermore, the discussion focuses on how interfaces and geometrical confinement perturb the pathways and kinetics of equilibrations of soft glasses (a process of tremendous technological interest). · Irr...
Performance evaluation of coherent Ising machines against classical neural networks
Haribara, Yoshitaka; Ishikawa, Hitoshi; Utsunomiya, Shoko; Aihara, Kazuyuki; Yamamoto, Yoshihisa
2017-12-01
The coherent Ising machine is expected to find a near-optimal solution in various combinatorial optimization problems, which has been experimentally confirmed with optical parametric oscillators and a field programmable gate array circuit. The similar mathematical models were proposed three decades ago by Hopfield et al in the context of classical neural networks. In this article, we compare the computational performance of both models.
Multiple Time Series Ising Model for Financial Market Simulations
International Nuclear Information System (INIS)
Takaishi, Tetsuya
2015-01-01
In this paper we propose an Ising model which simulates multiple financial time series. Our model introduces the interaction which couples to spins of other systems. Simulations from our model show that time series exhibit the volatility clustering that is often observed in the real financial markets. Furthermore we also find non-zero cross correlations between the volatilities from our model. Thus our model can simulate stock markets where volatilities of stocks are mutually correlated
Genus-two correlators for critical Ising model
International Nuclear Information System (INIS)
Behera, N.; Malik, R.P.; Kaul, R.K.
1989-01-01
The characters and one- and two-point correlators for the critical Ising model on a genus-two Riemann surface have been obtained using their modular transformation properties and the factorization properties in the pinching limit of the zero-homology cycle of the surface. The procedure can easily be generalized to higher-genus Riemann surfaces and also to other rational conformal field theories
Genus-two characters of the Ising model
International Nuclear Information System (INIS)
Choi, J.H.; Koh, I.G.
1989-01-01
As a first step in studying conformal theories on a higher-genus Riemann surface, we construct genus-two characters of the Ising model from their behavior in zero- and nonzero-homology pinching limits, the Goddard-Kent-Oliveco set-space construction, and the branching coefficients in the level-two A 1 /sup (1)/ Kac-Moody characters on the higher-genus Riemann surface
Phase transitions for Ising model with four competing interactions
International Nuclear Information System (INIS)
Ganikhodjaev, N.N.; Rozikov, U.A.
2004-11-01
In this paper we consider an Ising model with four competing interactions (external field, nearest neighbor, second neighbors and triples of neighbors) on the Cayley tree of order two. We show that for some parameter values of the model there is phase transition. Our second result gives a complete description of periodic Gibbs measures for the model. We also construct uncountably many non-periodic extreme Gibbs measures. (author)
The Ising Model with Long-Range Interactions
Directory of Open Access Journals (Sweden)
Alexander A. Biryukov
2015-09-01
Full Text Available The phase transition in the two-dimensional and three-dimensional Ising models with long-range spin interactions are studied with the Monte–Carlo method. The interaction region between spins is characterized by the radius $R$. Results based on numerical simulations have shown the critical temperature $T_c$ dependence from the spin interaction radius $R$. Analytical function $T_{c}(R$ approximating this dependence is designed.
Ladder Ising spin configurations. Pt. 1. Heat capacity
International Nuclear Information System (INIS)
Mejdani, R.; Lambros, A.
1996-01-01
We consider a ladder Ising spin model (with two coupled Ising spin chains), characterized by two couplings (interchain and intrachain couplings), to study in detail, in an analytical way, its thermal behaviour and particularly the variation of the specific heat versus temperature, the ratio of interaction constants, and the magnetic field. It is interesting that when the competition between interchain and intrachain interactions is strong the specific heat exhibits a double peak and when the competition is not so strong the specific heat has a single peak. Further, without entering into details, we give, in a numerical way, some similar results for more complicated ladder configurations (with more than two linear Ising chains). The spin-1/2 ladders or systems of spin chains may be realized in nature by vanadyl pyrophosphate ((VO) 2 P 2 O 7 ) or similar materials. All these intermediate systems are today important to gain further insight into the physics of one-dimensional spin chains and two-dimensional high-T c spin systems, both of which have shown interesting and unusual magnetic and superconducting properties. It is plausible that experimental and theoretical studies of ladders may lead to other interesting physical phenomena. (orig.)
The non-equilibrium Green's function method for nanoscale device simulation
Pourfath, Mahdi
2014-01-01
For modeling the transport of carriers in nanoscale devices, a Green-function formalism is the most accurate approach. Due to the complexity of the formalism, one should have a deep understanding of the underlying principles and use smart approximations and numerical methods for solving the kinetic equations at a reasonable computational time. In this book the required concepts from quantum and statistical mechanics and numerical methods for calculating Green functions are presented. The Green function is studied in detail for systems both under equilibrium and under nonequilibrium conditions. Because the formalism enables rigorous modeling of different scattering mechanisms in terms of self-energies, but an exact evaluation of self-energies for realistic systems is not possible, their approximation and inclusion in the quantum kinetic equations of the Green functions are elaborated. All the elements of the kinetic equations, which are the device Hamiltonian, contact self-energies, and scattering self-energie...
Kinetic theory and transport phenomena
Soto, Rodrigo
2016-01-01
This textbook presents kinetic theory, which is a systematic approach to describing nonequilibrium systems. The text is balanced between the fundamental concepts of kinetic theory (irreversibility, transport processes, separation of time scales, conservations, coarse graining, distribution functions, etc.) and the results and predictions of the theory, where the relevant properties of different systems are computed. The book is organised in thematic chapters where different paradigmatic systems are studied. The specific features of these systems are described, building and analysing the appropriate kinetic equations. Specifically, the book considers the classical transport of charges, the dynamics of classical gases, Brownian motion, plasmas, and self-gravitating systems, quantum gases, the electronic transport in solids and, finally, semiconductors. Besides these systems that are studied in detail, concepts are applied to some modern examples including the quark–gluon plasma, the motion of bacterial suspen...
Beretta, Gian Paolo
2014-10-01
states. The mathematical frameworks we consider are the following: (A) statistical or information-theoretic models of relaxation; (B) small-scale and rarefied gas dynamics (i.e., kinetic models for the Boltzmann equation); (C) rational extended thermodynamics, macroscopic nonequilibrium thermodynamics, and chemical kinetics; (D) mesoscopic nonequilibrium thermodynamics, continuum mechanics with fluctuations; and (E) quantum statistical mechanics, quantum thermodynamics, mesoscopic nonequilibrium quantum thermodynamics, and intrinsic quantum thermodynamics.
Exact Solutions for Correlations in the Kagomé Ising Antiferromagnet
Barry, J. H.; Khatun, M.
The kagomé Ising antiferromagnet is highly frustrated with its pair correlation decaying exponentially at large distance for all temperatures including absolute zero. Hence, the spin system does not support long-range orderings and is devoid of any phase transition. One proves, via local star-triangle and decoration-decimation transformations, that correlations in the kagomé Ising antiferromagnet at arbitrary temperatures can be represented as linear combinations of correlations in the honeycomb Ising ferromagnet at high temperatures (disordered region). Existent knowledge of all honeycomb Ising correlations upon a select (spatially compact) 10-site cluster is thus sufficient to determine all present kagomé Ising correlations upon an associated 9-site cluster. Examples of resulting exact solutions for pair and multisite correlations in the kagomé Ising antiferromagnet are presented at all temperatures. Applications include joint configuration probabilities, thermodynamic response functions such as the specific heat and the initial perpendicular susceptibility, and the inelastic neutron scattering function.
Network of time-multiplexed optical parametric oscillators as a coherent Ising machine
Marandi, Alireza; Wang, Zhe; Takata, Kenta; Byer, Robert L.; Yamamoto, Yoshihisa
2014-12-01
Finding the ground states of the Ising Hamiltonian maps to various combinatorial optimization problems in biology, medicine, wireless communications, artificial intelligence and social network. So far, no efficient classical and quantum algorithm is known for these problems and intensive research is focused on creating physical systems—Ising machines—capable of finding the absolute or approximate ground states of the Ising Hamiltonian. Here, we report an Ising machine using a network of degenerate optical parametric oscillators (OPOs). Spins are represented with above-threshold binary phases of the OPOs and the Ising couplings are realized by mutual injections. The network is implemented in a single OPO ring cavity with multiple trains of femtosecond pulses and configurable mutual couplings, and operates at room temperature. We programmed a small non-deterministic polynomial time-hard problem on a 4-OPO Ising machine and in 1,000 runs no computational error was detected.
Quantum nonequilibrium equalities with absolute irreversibility
Funo, Ken; Murashita, Yûto; Ueda, Masahito
2015-07-01
We derive quantum nonequilibrium equalities in absolutely irreversible processes. Here by absolute irreversibility we mean that in the backward process the density matrix does not return to the subspace spanned by those eigenvectors that have nonzero weight in the initial density matrix. Since the initial state of a memory and the postmeasurement state of the system are usually restricted to a subspace, absolute irreversibility occurs during the measurement and feedback processes. An additional entropy produced in absolutely irreversible processes needs to be taken into account to derive nonequilibrium equalities. We discuss a model of a feedback control on a qubit system to illustrate the obtained equalities. By introducing N heat baths each composed of a qubit and letting them interact with the system, we show how the entropy reduction via feedback control can be converted into work. An explicit form of extractable work in the presence of absolute irreversibility is given.
Lattice Boltzmann approach for complex nonequilibrium flows.
Montessori, A; Prestininzi, P; La Rocca, M; Succi, S
2015-10-01
We present a lattice Boltzmann realization of Grad's extended hydrodynamic approach to nonequilibrium flows. This is achieved by using higher-order isotropic lattices coupled with a higher-order regularization procedure. The method is assessed for flow across parallel plates and three-dimensional flows in porous media, showing excellent agreement of the mass flow with analytical and numerical solutions of the Boltzmann equation across the full range of Knudsen numbers, from the hydrodynamic regime to ballistic motion.
Low temperature behavior of nonequilibrium multilevel systems
Czech Academy of Sciences Publication Activity Database
Maes, C.; Netočný, Karel; O'Kelly de Galway, W.
2014-01-01
Roč. 47, č. 3 (2014), "035002-1"-"035002-11" ISSN 1751-8113 R&D Projects: GA ČR GAP204/12/0897 Institutional support: RVO:68378271 Keywords : nonequilibrium state state * low temperature Subject RIV: BE - Theoretical Physics Impact factor: 1.583, year: 2014 http://iopscience.iop.org/1751-8121/47/3/035002?fromSearchPage=true
Equilibrium and nonequilibrium behaviour of surfactant systems
Reissig, Louisa
2010-01-01
In binary systems, surfactant molecules can self-assemble into a large variety of structures depending on their chemical structure, concentration and temperature. The properties and stability of the phases, their coexistence regions and the formation of metastable structures is of great importance not only for fundamental understanding, but also for applications in many fields including industry and medicine. This thesis presents studies of the equilibrium and non-equilibrium b...
Improvements to a nonequilibrium algebraic turbulence model
Johnson, D. A.; Coakley, T. J.
1990-01-01
It has been noted that while the nonequilibrium turbulence model of Johnson and King (1985, 1987) performed significantly better than alternative methods, differences between predicted and observed shock locations for certain weak interactions are produced due to a defficiency in the model's inner eddy viscosity formulation. A novel formulation for the model is presented which removes this deficiency, while satisfying the law of the wall for adverse pressure-gradient conditions better than either the original formulation or mixing-length theory.
First-order phase transition in a 2D random-field Ising model with conflicting dynamics
Crokidakis, Nuno
2009-02-01
The effects of locally random magnetic fields are considered in a nonequilibrium Ising model defined on a square lattice with nearest-neighbor interactions. In order to generate the random magnetic fields, we have considered random variables {h} that change randomly with time according to a double-Gaussian probability distribution, which consists of two single-Gaussian distributions, centered at +ho and -ho, with the same width σ. This distribution is very general and can recover in appropriate limits the bimodal distribution (\\sigma \\to 0 ) and the single-Gaussian one (ho = 0). We performed Monte Carlo simulations in lattices with linear sizes in the range L = 32-512. The system exhibits ferromagnetic and paramagnetic steady states. Our results suggest the occurrence of first-order phase transitions between the above-mentioned phases at low temperatures and large random-field intensities ho for some small values of the width σ. By means of finite size scaling, we estimate the critical exponents in the low-field region, where we have continuous phase transitions. In addition, we show a sketch of the phase diagram of the model for some values of σ.
Nonequilibrium functional bosonization of quantum wire networks
Energy Technology Data Exchange (ETDEWEB)
Ngo Dinh, Stephane, E-mail: stephane.ngodinh@kit.edu [Institut fuer Theorie der Kondensierten Materie, Karlsruhe Institute of Technology, 76128 Karlsruhe (Germany); DFG Center for Functional Nanostructures, Karlsruhe Institute of Technology, 76128 Karlsruhe (Germany); Bagrets, Dmitry A. [Institut fuer Theoretische Physik, Universitaet zu Koeln, Zuelpicher Str. 77, 50937 Koeln (Germany); Mirlin, Alexander D. [Institut fuer Theorie der Kondensierten Materie, Karlsruhe Institute of Technology, 76128 Karlsruhe (Germany); Institut fuer Nanotechnologie, Karlsruhe Institute of Technology, 76021 Karlsruhe (Germany); DFG Center for Functional Nanostructures, Karlsruhe Institute of Technology, 76128 Karlsruhe (Germany); Petersburg Nuclear Physics Institute, 188300 St. Petersburg (Russian Federation)
2012-11-15
We develop a general approach to nonequilibrium nanostructures formed by one-dimensional channels coupled by tunnel junctions and/or by impurity scattering. The formalism is based on nonequilibrium version of functional bosonization. A central role in this approach is played by the Keldysh action that has a form reminiscent of the theory of full counting statistics. To proceed with evaluation of physical observables, we assume the weak-tunneling regime and develop a real-time instanton method. A detailed exposition of the formalism is supplemented by two important applications: (i) tunneling into a biased Luttinger liquid with an impurity, and (ii) quantum Hall Fabry-Perot interferometry. - Highlights: Black-Right-Pointing-Pointer A nonequilibrium functional bosonization framework for quantum wire networks is developed Black-Right-Pointing-Pointer For the study of observables in the weak tunneling regime a real-time instanton method is elaborated. Black-Right-Pointing-Pointer We consider tunneling into a biased Luttinger liquid with an impurity. Black-Right-Pointing-Pointer We analyze electronic Fabry-Perot interferometers in the integer quantum Hall regime.
Comparative study of the geometric quantum discord in the transverse Ising model
Gong, Jia-Min; Wang, Quan; Zhang, Ya-Ting
2015-10-01
We investigate geometric quantum discords (GQDs) in the two- and three-spin transverse Ising model at both zero and finite temperature. We showed that GQDs measured by the trace distance and the Hellinger distance can be enhanced greatly by the applied transverse magnetic field. For the three-spin isotropic Ising model, the ferromagnetic interaction is more advantageous than that of the antiferromagnetic interaction on creating GQDs. Moreover, the two GQDs can be further increased by the nonuniform Ising interaction between neighbors. In particular, the adjustable antiferromagnetic Ising interaction between two spins is advantageous for enhancing GQDs between them, while the opposite case happens for the other pairs of spins.
X-ray scattering studies of non-equilibrium ordering processes
International Nuclear Information System (INIS)
Nagler, S.E.
1991-01-01
We report on the progress of the project entitled ''X-ray Scattering Studies of Non-Equilibrium Ordering Processes.'' The past year has seen continued progress in the study of kinetic effects in metallic binary alloys and polymers. In addition, work has begun on a low dimensional CDW system: blue bronze. A sample chamber has been constructed to perform small angle neutron scattering measurements on a model quantum system with phase separation: solid He3/He4. Work is continuing on magnetic systems. Planned future experiments include an investigation of crystallization in Rubidium
International Nuclear Information System (INIS)
Keskin, Mustafa; Canko, Osman
2005-01-01
The relaxation behavior of the spin-3/2 Ising model Hamiltonian with bilinear and biquadratic interactions near the second-order phase transition temperature or critical temperature is studied by means of the Onsager's theory of irreversible thermodynamics or the Onsager reciprocity theorem (ORT). First, we give the equilibrium case briefly within the molecular-field approximation in order to study the relaxation behavior by using the ORT. Then, the ORT is applied to the model and the kinetic equations are obtained. By solving these equations, three relaxation times are calculated and examined for temperatures near the second-order phase transition temperature. It is found that one of the relaxation times goes to infinity near the critical temperature on either side, the second relaxation time makes a cusp at the critical temperature and third one behaves very differently in which it terminates at the critical temperature while approaching it, then showing a 'flatness' property and then decreases. We also study the influences of the Onsager rate coefficients on the relaxation times. The behavior of these relaxation times is discussed and compared with the spin-1/2 and spin-1 Ising systems
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
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.
Stochastic theory of nonequilibrium steady states and its applications. Part I
International Nuclear Information System (INIS)
Zhang Xuejuan; Qian Hong; Qian Min
2012-01-01
The concepts of equilibrium and nonequilibrium steady states are introduced in the present review as mathematical concepts associated with stationary Markov processes. For both discrete stochastic systems with master equations and continuous diffusion processes with Fokker–Planck equations, the nonequilibrium steady state (NESS) is characterized in terms of several key notions which are originated from nonequilibrium physics: time irreversibility, breakdown of detailed balance, free energy dissipation, and positive entropy production rate. After presenting this NESS theory in pedagogically accessible mathematical terms that require only a minimal amount of prerequisites in nonlinear differential equations and the theory of probability, it is applied, in Part I, to two widely studied problems: the stochastic resonance (also known as coherent resonance) and molecular motors (also known as Brownian ratchet). Although both areas have advanced rapidly on their own with a vast amount of literature, the theory of NESS provides them with a unifying mathematical foundation. Part II of this review contains applications of the NESS theory to processes from cellular biochemistry, ranging from enzyme catalyzed reactions, kinetic proofreading, to zeroth-order ultrasensitivity.
On nonequilibrium many-body systems. 1: The nonequilibrium statistical operator method
International Nuclear Information System (INIS)
Algarte, A.C.S.; Vasconcellos, A.R.; Luzzi, R.; Sampaio, A.J.C.
1985-01-01
The theoretical aspects involved in the treatment of many-body systems strongly departed from equilibrium are discussed. The nonequilibrium statistical operator (NSO) method is considered in detail. Using Jaynes' maximum entropy formalism complemented with an ad hoc hypothesis a nonequilibrium statistical operator is obtained. This approach introduces irreversibility from the outset and we recover statistical operators like those of Green-Mori and Zubarev as particular cases. The connection with Generalized Thermodynamics and the construction of nonlinear transport equations are briefly described. (Author) [pt
Nonequilibrium Phase Chemistry in High Temperature Structure Alloys
Wang, R.
1991-01-01
Titanium and nickel aluminides of nonequilibrium microstructures and in thin gauge thickness were identified, characterized and produced for potential high temperature applications. A high rate sputter deposition technique for rapid surveillance of the microstructures and nonequilibrium phase is demonstrated. Alloys with specific compositions were synthesized with extended solid solutions, stable dispersoids, and specific phase boundaries associated with different heat treatments. Phase stability and mechanical behavior of these nonequilibrium alloys were investigated and compared.
Some results on hyperscaling in the 3D Ising model
Energy Technology Data Exchange (ETDEWEB)
Baker, G.A. Jr. [Los Alamos National Lab., NM (United States). Theoretical Div.; Kawashima, Naoki [Univ. of Tokyo (Japan). Dept. of Physics
1995-09-01
The authors review exact studies on finite-sized 2 dimensional Ising models and show that the point for an infinite-sized model at the critical temperature is a point of nonuniform approach in the temperature-size plane. They also illuminate some strong effects of finite-size on quantities which do not diverge at the critical point. They then review Monte Carlo studies for 3 dimensional Ising models of various sizes (L = 2--100) at various temperatures. From these results they find that the data for the renormalized coupling constant collapses nicely when plotted against the correlation length, determined in a system of edge length L, divided by L. They also find that {zeta}{sub L}/L {ge} 0.26 is definitely too large for reliable studies of the critical value, g*, of the renormalized coupling constant. They have reasonable evidence that {zeta}{sub L}/L {approx} 0.1 is adequate for results that are within one percent of those for the infinite system size. On this basis, they have conducted a series of Monte Carlo calculations with this condition imposed. These calculations were made practical by the development of improved estimators for use in the Swendsen-Wang cluster method. The authors found from these results, coupled with a reversed limit computation (size increases with the temperature fixed at the critical temperature), that g* > 0, although there may well be a sharp downward drop in g as the critical temperature is approached in accord with the predictions of series analysis. The results support the validity of hyperscaling in the 3 dimensional Ising model.
ISEES: an institute for sustainable software to accelerate environmental science
Jones, M. B.; Schildhauer, M.; Fox, P. A.
2013-12-01
Software is essential to the full science lifecycle, spanning data acquisition, processing, quality assessment, data integration, analysis, modeling, and visualization. Software runs our meteorological sensor systems, our data loggers, and our ocean gliders. Every aspect of science is impacted by, and improved by, software. Scientific advances ranging from modeling climate change to the sequencing of the human genome have been rendered possible in the last few decades due to the massive improvements in the capabilities of computers to process data through software. This pivotal role of software in science is broadly acknowledged, while simultaneously being systematically undervalued through minimal investments in maintenance and innovation. As a community, we need to embrace the creation, use, and maintenance of software within science, and address problems such as code complexity, openness,reproducibility, and accessibility. We also need to fully develop new skills and practices in software engineering as a core competency in our earth science disciplines, starting with undergraduate and graduate education and extending into university and agency professional positions. The Institute for Sustainable Earth and Environmental Software (ISEES) is being envisioned as a community-driven activity that can facilitate and galvanize activites around scientific software in an analogous way to synthesis centers such as NCEAS and NESCent that have stimulated massive advances in ecology and evolution. We will describe the results of six workshops (Science Drivers, Software Lifecycles, Software Components, Workforce Development and Training, Sustainability and Governance, and Community Engagement) that have been held in 2013 to envision such an institute. We will present community recommendations from these workshops and our strategic vision for how ISEES will address the technical issues in the software lifecycle, sustainability of the whole software ecosystem, and the critical
A consistent description of kinetics and hydrodynamics of quantum Bose-systems
Directory of Open Access Journals (Sweden)
P.A.Hlushak
2004-01-01
Full Text Available A consistent approach to the description of kinetics and hydrodynamics of many-Boson systems is proposed. The generalized transport equations for strongly and weakly nonequilibrium Bose systems are obtained. Here we use the method of nonequilibrium statistical operator by D.N. Zubarev. New equations for the time distribution function of the quantum Bose system with a separate contribution from both the kinetic and potential energies of particle interactions are obtained. The generalized transport coefficients are determined accounting for the consistent description of kinetic and hydrodynamic processes.
Decorated Ising models with competing interactions and modulated structures
International Nuclear Information System (INIS)
Tragtenberg, M.H.R.; Yokoi, C.S.O.; Salinas, S.R.A.
1988-01-01
The phase diagrams of a variety of decorated Ising lattices are calculated. The competing interactions among the decorating spins may induce different types of modulated orderings. In particular, the effect of an applied field on the phase diagram of the two-dimensional mock ANNNI model is considered, where only the original horizontal bonds on a square lattice are decorated. Some Bravais lattices and Cayley trees where all bonds are equally decorated are then studied. The Bravais lattices display a few stable modulated structures. The Cayley trees, on the other hand, display a large number of modulated phases, which increases with the lattice coordination number. (authors) [pt
Magnetic properties of a single transverse Ising ferrimagnetic nanoparticle
International Nuclear Information System (INIS)
Bouhou, S.; El Hamri, M.; Essaoudi, I.; Ainane, A.; Ahuja, R.
2015-01-01
Using the effective field theory with a probability distribution technique that accounts for the self-spin correlation function, the thermal and the magnetic properties of a single Ising nanoparticle consisting of a ferromagnetic core, a ferromagnetic surface shell and a ferrimagnetic interface coupling are examined. The effect of the transverse field in the surface shell, the exchange interactions between core/shell and in surface shell on the free energy, thermal magnetization, specific heat and susceptibility are studied. A number of interesting phenomena have been found such as the existence of the compensation phenomenon and the magnetization profiles exhibit P-type, N-type and Q-type behaviors
Markov chain analysis of single spin flip Ising simulations
International Nuclear Information System (INIS)
Hennecke, M.
1997-01-01
The Markov processes defined by random and loop-based schemes for single spin flip attempts in Monte Carlo simulations of the 2D Ising model are investigated, by explicitly constructing their transition matrices. Their analysis reveals that loops over all lattice sites using a Metropolis-type single spin flip probability often do not define ergodic Markov chains, and have distorted dynamical properties even if they are ergodic. The transition matrices also enable a comparison of the dynamics of random versus loop spin selection and Glauber versus Metropolis probabilities
Ising model of financial markets with many assets
Eckrot, A.; Jurczyk, J.; Morgenstern, I.
2016-11-01
Many models of financial markets exist, but most of them simulate single asset markets. We study a multi asset Ising model of a financial market. Each agent has two possible actions (buy/sell) for every asset. The agents dynamically adjust their coupling coefficients according to past market returns and external news. This leads to fat tails and volatility clustering independent of the number of assets. We find that a separation of news into different channels leads to sector structures in the cross correlations, similar to those found in real markets.
Entanglement dynamics in critical random quantum Ising chain with perturbations
Energy Technology Data Exchange (ETDEWEB)
Huang, Yichen, E-mail: ychuang@caltech.edu
2017-05-15
We simulate the entanglement dynamics in a critical random quantum Ising chain with generic perturbations using the time-evolving block decimation algorithm. Starting from a product state, we observe super-logarithmic growth of entanglement entropy with time. The numerical result is consistent with the analytical prediction of Vosk and Altman using a real-space renormalization group technique. - Highlights: • We study the dynamical quantum phase transition between many-body localized phases. • We simulate the dynamics of a very long random spin chain with matrix product states. • We observe numerically super-logarithmic growth of entanglement entropy with time.
Nonequilibrium topological phase transitions in two-dimensional optical lattices
Nakagawa, Masaya; Kawakami, Norio
2014-01-01
Recently, concepts of topological phases of matter are extended to nonequilibrium systems, especially periodically driven systems. In this paper, we construct an example which shows nonequilibrium topological phase transitions using ultracold fermions in optical lattices. We show that the Rabi oscillation has the possibility to induce nonequilibrium topological phases which are classified into time-reversal-invariant topological insulators for a two-orbital model of alkaline-earth-metal atoms. Furthermore, we study the nonequilibrium topological phases using time-dependent Schrieffer-Wolff-type perturbation theory, and we obtain an analytical expression to describe the topological phase transitions from a high-frequency limit of external driving fields.
Nonequilibrium thermodynamic models and applications to hydrogen plasma
International Nuclear Information System (INIS)
Cho, K.Y.
1988-01-01
A generalized multithermal equilibrium (GMTE) thermodynamic model is developed and presented with applications to hydrogen. A new chemical equilibrium equation for GMTE is obtained without the ensemble temperature concept, used by a previous MTE model. The effects of the GMTE model on the derivation and calculation of the thermodynamic, transport, and radiative properties are presented and significant differences from local thermal equilibrium (LTE) and two temperature model are discussed. When the electron translational temperature (T e ) is higher than the translational temperature of the heavy particles, the effects of hydrogen molecular species to the properties are significant at high T e compared with LTE results. The density variations of minor species are orders of magnitude with kinetic nonequilibrium at a constant electron temperature. A collisional-radiative model is also developed with the GMTE chemical equilibrium equation to study the effects of radiative transfer and the ambipolar diffusion on the population distribution of the excited atoms. The nonlocal radiative transfer effect is parameterized by an absorption factor, which is defined as a ratio of the absorbed intensity to the spontaneous emission coefficient
Nonequilibrium atmospheric secondary organic aerosol formation and growth.
Perraud, Véronique; Bruns, Emily A; Ezell, Michael J; Johnson, Stanley N; Yu, Yong; Alexander, M Lizabeth; Zelenyuk, Alla; Imre, Dan; Chang, Wayne L; Dabdub, Donald; Pankow, James F; Finlayson-Pitts, Barbara J
2012-02-21
Airborne particles play critical roles in air quality, health effects, visibility, and climate. Secondary organic aerosols (SOA) formed from oxidation of organic gases such as α-pinene account for a significant portion of total airborne particle mass. Current atmospheric models typically incorporate the assumption that SOA mass is a liquid into which semivolatile organic compounds undergo instantaneous equilibrium partitioning to grow the particles into the size range important for light scattering and cloud condensation nuclei activity. We report studies of particles from the oxidation of α-pinene by ozone and NO(3) radicals at room temperature. SOA is primarily formed from low-volatility ozonolysis products, with a small contribution from higher volatility organic nitrates from the NO(3) reaction. Contrary to expectations, the particulate nitrate concentration is not consistent with equilibrium partitioning between the gas phase and a liquid particle. Rather the fraction of organic nitrates in the particles is only explained by irreversible, kinetically determined uptake of the nitrates on existing particles, with an uptake coefficient that is 1.6% of that for the ozonolysis products. If the nonequilibrium particle formation and growth observed in this atmospherically important system is a general phenomenon in the atmosphere, aerosol models may need to be reformulated. The reformulation of aerosol models could impact the predicted evolution of SOA in the atmosphere both outdoors and indoors, its role in heterogeneous chemistry, its projected impacts on air quality, visibility, and climate, and hence the development of reliable control strategies.
Non-equilibrium statistical thermodynamics of neutron gas in reactor
International Nuclear Information System (INIS)
Hayasaka, Hideo
1977-01-01
The thermodynamic structures of non-equilibrium steady states of highly rarefied neutron gas in various media are considered for the irreversible processes owing to creative and destructive reactions of neutrons with nuclei of these media and supply from the external sources. Under the so-called clean and cold condition in reactor, the medium is regarded virtually as offering the different chemical potential fields for each subsystem of a steady neutron gas system. The fluctuations around a steady state are considered in a Markovian-Gaussian process. The generalized Einstein relations are derived for stationary neutron gas systems. The forces and flows of neutron gases in a medium are defined upon the general stationary solution of the Fokker-Planck equation. There exist the symmetry of the kinetic coefficients, and the minimum entropy production upon neutron-nuclear reactions. The distribution functions in various media are determined by each corresponding extremum condition under the vanishing of changes of the respective total entropies in the Gibbs equation. (auth.)
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.
Controlling Non-Equilibrium Structure Formation on the Nanoscale.
Buchmann, Benedikt; Hecht, Fabian Manfred; Pernpeintner, Carla; Lohmueller, Theobald; Bausch, Andreas R
2017-12-06
Controlling the structure formation of gold nanoparticle aggregates is a promising approach towards novel applications in many fields, ranging from (bio)sensing to (bio)imaging to medical diagnostics and therapeutics. To steer structure formation, the DNA-DNA interactions of DNA strands that are coated on the surface of the particles have become a valuable tool to achieve precise control over the interparticle potentials. In equilibrium approaches, this technique is commonly used to study particle crystallization and ligand binding. However, regulating the structural growth processes from the nano- to the micro- and mesoscale remains elusive. Here, we show that the non-equilibrium structure formation of gold nanoparticles can be stirred in a binary heterocoagulation process to generate nanoparticle clusters of different sizes. The gold nanoparticles are coated with sticky single stranded DNA and mixed at different stoichiometries and sizes. This not only allows for structural control but also yields access to the optical properties of the nanoparticle suspensions. As a result, we were able to reliably control the kinetic structure formation process to produce cluster sizes between tens of nanometers up to micrometers. Consequently, the intricate optical properties of the gold nanoparticles could be utilized to control the maximum of the nanoparticle suspension extinction spectra between 525 nm and 600 nm. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
A multifluid model extended for strong temperature nonequilibrium
Energy Technology Data Exchange (ETDEWEB)
Chang, Chong [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2016-08-08
We present a multifluid model in which the material temperature is strongly affected by the degree of segregation of each material. In order to track temperatures of segregated form and mixed form of the same material, they are defined as different materials with their own energy. This extension makes it necessary to extend multifluid models to the case in which each form is defined as a separate material. Statistical variations associated with the morphology of the mixture have to be simplified. Simplifications introduced include combining all molecularly mixed species into a single composite material, which is treated as another segregated material. Relative motion within the composite material, diffusion, is represented by material velocity of each component in the composite material. Compression work, momentum and energy exchange, virtual mass forces, and dissipation of the unresolved kinetic energy have been generalized to the heterogeneous mixture in temperature nonequilibrium. The present model can be further simplified by combining all mixed forms of materials into a composite material. Molecular diffusion in this case is modeled by the Stefan-Maxwell equations.
Quasi-realistic distribution of interaction fields leading to a variant of Ising spin glass model
International Nuclear Information System (INIS)
Tanasa, Radu; Enachescu, Cristian; Stancu, Alexandru; Linares, Jorge; Varret, Francois
2004-01-01
The distribution of interaction fields of an Ising-like system, obtained by Monte Carlo entropic sampling is used for modeling the hysteretic behavior of patterned media made of magnetic particles with a common anisotropy axis; a variant of the canonical Edwards-Anderson Ising spin glass model is introduced
Magnetic properties and thermodynamics of decorated Ising chain with pendants of arbitrary spin
Energy Technology Data Exchange (ETDEWEB)
Li Wei, E-mail: liwei-b09@mails.gucas.ac.c [College of Physical Sciences, Graduate University of Chinese Academy of Sciences, P.O. Box 4588, Beijing 100049 (China); Department of Physics, Beihang University, Beijing 100191 (China); Gong Shoushu [College of Physical Sciences, Graduate University of Chinese Academy of Sciences, P.O. Box 4588, Beijing 100049 (China); Chen Ziyu [Department of Physics, Beihang University, Beijing 100191 (China); Zhao Yang [College of Physical Sciences, Graduate University of Chinese Academy of Sciences, P.O. Box 4588, Beijing 100049 (China); Su Gang, E-mail: gsu@gucas.ac.c [College of Physical Sciences, Graduate University of Chinese Academy of Sciences, P.O. Box 4588, Beijing 100049 (China)
2010-05-31
The decorated Ising chain with pendants of arbitrary spin and the single-ion anisotropy is exactly solved by the transfer matrix method. The solutions reveal abundant novel properties than the conventional one-dimensional Ising model. It is compared with the experimental data of a necklace-like molecule-based magnet, that gives a qualitative consistency.
Magnetic properties and thermodynamics of decorated Ising chain with pendants of arbitrary spin
International Nuclear Information System (INIS)
Li Wei; Gong Shoushu; Chen Ziyu; Zhao Yang; Su Gang
2010-01-01
The decorated Ising chain with pendants of arbitrary spin and the single-ion anisotropy is exactly solved by the transfer matrix method. The solutions reveal abundant novel properties than the conventional one-dimensional Ising model. It is compared with the experimental data of a necklace-like molecule-based magnet, that gives a qualitative consistency.
Large Deviations for the Annealed Ising Model on Inhomogeneous Random Graphs: Spins and Degrees
Dommers, Sander; Giardinà, Cristian; Giberti, Claudio; Hofstad, Remco van der
2018-04-01
We prove a large deviations principle for the total spin and the number of edges under the annealed Ising measure on generalized random graphs. We also give detailed results on how the annealing over the Ising model changes the degrees of the vertices in the graph and show how it gives rise to interesting correlated random graphs.
Ising percolation in a three-state majority vote model
International Nuclear Information System (INIS)
Balankin, Alexander S.; Martínez-Cruz, M.A.; Gayosso Martínez, Felipe; Mena, Baltasar; Tobon, Atalo; Patiño-Ortiz, Julián; Patiño-Ortiz, Miguel; Samayoa, Didier
2017-01-01
Highlights: • Three-state non-consensus majority voter model is introduced. • Phase transition in the absorbing state non-consensus is revealed. • The percolation transition belongs to the universality class of Ising percolation. • The effect of an updating rule for a tie between voter neighbors is highlighted. - Abstract: In this Letter, we introduce a three-state majority vote model in which each voter adopts a state of a majority of its active neighbors, if exist, but the voter becomes uncommitted if its active neighbors are in a tie, or all neighbors are the uncommitted. Numerical simulations were performed on square lattices of different linear size with periodic boundary conditions. Starting from a random distribution of active voters, the model leads to a stable non-consensus state in which three opinions coexist. We found that the “magnetization” of the non-consensus state and the concentration of uncommitted voters in it are governed by an initial composition of system and are independent of the lattice size. Furthermore, we found that a configuration of the stable non-consensus state undergoes a second order percolation transition at a critical concentration of voters holding the same opinion. Numerical simulations suggest that this transition belongs to the same universality class as the Ising percolation. These findings highlight the effect of an updating rule for a tie between voter neighbors on the critical behavior of models obeying the majority vote rule whenever a strict majority exists.
THE EFFECT OF INVESTOR SENTIMENT ON ISE SECTOR INDICES
Directory of Open Access Journals (Sweden)
SERPİL CANBAŞ
2013-06-01
Full Text Available Determining the factors that affect stock returns is one of the most investigated topics of the finance literature. A number of models have been developed to explain stock returns. Some of these models maintain that stock returns are generated rationally. These models are, Capital Asset Pricing Model, Index Models, Arbitrage Pricing Model and Macroeconomic Factor Models. Nevertheless, these models could not have explained stock returns, although they have used different parameters and methods. Some studies have maintained that investor psychology would have a role in the stock return generation process. There are three theories that investigate the effect of investor psychology on financial markets: Mental accounting theory, herd behavior theory and investor sentiment theory. The aim of this study is to investigate the effect of investor sentiment on stock returns. In this context, three investor sentiment proxies have been determined in the light of previous studies. These proxies are closed-end fund discount, average fund flow of mutual funds and the ratio of net stock purchases of foreign investors to ISE market capitalization. ISE sector indices are used to proxy stock returns. On the other hand, there is a possibility that investor sentiment would merely reflect economic innovations. Some economic factors are used as control variables in order to examine this possibility. Regression analyses are employed for investigating the effect of investor sentiment on stock returns. Findings suggest that investor sentiment affect stock returns systematically. This finding keeps its robustness when economic variables are added to the model.
Ising and Potts models: binding disorder-and dimension effects
International Nuclear Information System (INIS)
Curado, E.M.F.
1983-01-01
Within the real space renormalization group framework, some thermal equilibrium properties of pure and disordered insulating systems are calculated. In the pure hypercubic lattice system, the Ising model surface tension and the correlation length of the q-state Potts model, which generalizes the former are analyzed. Several asymptotic behaviors are obtained (for the first time as far as we know) for both functions and the influence of dimension over them can be observed. Accurate numerical proposals for the surface tension are made in several dimensions, and the effect of the number of states (q) on the correlation lenght is shown. In disordered systems, attention is focused essentiall on those which can be theoretically represented by pure sistem Hamiltonians where probability distributions are assumed for the coupling constants (disorder in the bonds). It is obtained with high precision several approximate critical surfaces for the quenched square-lattice Ising model, whose probability distribution can assume two positive values (hence there is no frustration). These aproximate surfaces contain all the exact known points. In the cases where the coupling constant probability distribution can also assume negative values (allowing disordered and frustrated systems), a theoretical treatment which distinguishes the frustration effect from the dilution one is proposed. This distinction can be seen by the different ways in which the bonds of any series-parallel topological array combine. (Author) [pt
Ising percolation in a three-state majority vote model
Energy Technology Data Exchange (ETDEWEB)
Balankin, Alexander S., E-mail: abalankin@ipn.mx [Grupo Mecánica Fractal, ESIME, Instituto Politécnico Nacional, México D.F., 07738 (Mexico); Martínez-Cruz, M.A.; Gayosso Martínez, Felipe [Grupo Mecánica Fractal, ESIME, Instituto Politécnico Nacional, México D.F., 07738 (Mexico); Mena, Baltasar [Laboratorio de Ingeniería y Procesos Costeros, Instituto de Ingeniería, Universidad Nacional Autónoma de México, Sisal, Yucatán, 97355 (Mexico); Tobon, Atalo; Patiño-Ortiz, Julián; Patiño-Ortiz, Miguel; Samayoa, Didier [Grupo Mecánica Fractal, ESIME, Instituto Politécnico Nacional, México D.F., 07738 (Mexico)
2017-02-05
Highlights: • Three-state non-consensus majority voter model is introduced. • Phase transition in the absorbing state non-consensus is revealed. • The percolation transition belongs to the universality class of Ising percolation. • The effect of an updating rule for a tie between voter neighbors is highlighted. - Abstract: In this Letter, we introduce a three-state majority vote model in which each voter adopts a state of a majority of its active neighbors, if exist, but the voter becomes uncommitted if its active neighbors are in a tie, or all neighbors are the uncommitted. Numerical simulations were performed on square lattices of different linear size with periodic boundary conditions. Starting from a random distribution of active voters, the model leads to a stable non-consensus state in which three opinions coexist. We found that the “magnetization” of the non-consensus state and the concentration of uncommitted voters in it are governed by an initial composition of system and are independent of the lattice size. Furthermore, we found that a configuration of the stable non-consensus state undergoes a second order percolation transition at a critical concentration of voters holding the same opinion. Numerical simulations suggest that this transition belongs to the same universality class as the Ising percolation. These findings highlight the effect of an updating rule for a tie between voter neighbors on the critical behavior of models obeying the majority vote rule whenever a strict majority exists.
Simple models of equilibrium and nonequilibrium phenomena
International Nuclear Information System (INIS)
Lebowitz, J.L.
1987-01-01
This volume consists of two chapters of particular interest to researchers in the field of statistical mechanics. The first chapter is based on the premise that the best way to understand the qualitative properties that characterize many-body (i.e. macroscopic) systems is to study 'a number of the more significant model systems which, at least in principle are susceptible of complete analysis'. The second chapter deals exclusively with nonequilibrium phenomena. It reviews the theory of fluctuations in open systems to which they have made important contributions. Simple but interesting model examples are emphasised
Universality in Nonequilibrium Lattice Systems Theoretical Foundations
Ódor, Géza
2008-01-01
Universal scaling behavior is an attractive feature in statistical physics because a wide range of models can be classified purely in terms of their collective behavior due to a diverging correlation length. This book provides a comprehensive overview of dynamical universality classes occurring in nonequilibrium systems defined on regular lattices. The factors determining these diverse universality classes have yet to be fully understood, but the book attempts to summarize our present knowledge, taking them into account systematically.The book helps the reader to navigate in the zoo of basic m
Nonequilibrium fermion production in quantum field theory
Energy Technology Data Exchange (ETDEWEB)
Pruschke, Jens
2010-06-16
The creation of matter in the early universe or in relativistic heavy-ion collisions is inevitable connected to nonequilibrium physics. One of the key challenges is the explanation of the corresponding thermalization process following nonequilibrium instabilities. The role of fermionic quantum fields in such scenarios is discussed in the literature by using approximations of field theories which neglect important quantum corrections. This thesis goes beyond such approximations. A quantum field theory where scalar bosons interact with Dirac fermions via a Yukawa coupling is analyzed in the 2PI effective action formalism. The chosen approximation allows for a correct description of the dynamics including nonequilibrium instabilities. In particular, fermion-boson loop corrections allow to study the interaction of fermions with large boson fluctuations. The applied initial conditions generate nonequilibrium instabilities like parametric resonance or spinodal instabilities. The equations of motion for correlation functions are solved numerically and major characteristics of the fermion dynamics are described by analytical solutions. New mechanisms for the production of fermions are found. Simulations in the case of spinodal instability show that unstable boson fluctuations induce exponentially growing fermion modes with approximately the same growth rate. If the unstable regime lasts long enough a thermalization of the infrared part of the fermion occupation number occurs on time scales much shorter than the time scale on which bosonic quantum fields thermalize. Fermions acquire an excess of occupation in the ultraviolet regime compared to a Fermi-Dirac statistic characterized by a power-law with exponent two. The fermion production mechanism via parametric resonance is found to be most efficient after the instability ends. Quantum corrections then provide a very efficient particle creation mechanism which is interpreted as an amplification of decay processes. The ratio
Ge, Hao; Qian, Hong
2013-06-01
Nonequilibrium thermodynamics of a system situated in a sustained environment with influx and efflux is usually treated as a subsystem in a larger, closed "universe." A question remains with regard to what the minimally required description for the surrounding of such an open driven system is so that its nonequilibrium thermodynamics can be established solely based on the internal stochastic kinetics. We provide a solution to this problem using insights from studies of molecular motors in a chemical nonequilibrium steady state (NESS) with sustained external drive through a regenerating system or in a quasisteady state (QSS) with an excess amount of adenosine triphosphate (ATP), adenosine diphosphate (ADP), and inorganic phosphate (Pi). We introduce the key notion of minimal work that is needed, W(min), for the external regenerating system to sustain a NESS (e.g., maintaining constant concentrations of ATP, ADP and Pi for a molecular motor). Using a Markov (master-equation) description of a motor protein, we illustrate that the NESS and QSS have identical kinetics as well as the second law in terms of the same positive entropy production rate. The heat dissipation of a NESS without mechanical output is exactly the W(min). This provides a justification for introducing an ideal external regenerating system and yields a free-energy balance equation between the net free-energy input F(in) and total dissipation F(dis) in an NESS: F(in) consists of chemical input minus mechanical output; F(dis) consists of dissipative heat, i.e. the amount of useful energy becoming heat, which also equals the NESS entropy production. Furthermore, we show that for nonstationary systems, the F(dis) and F(in) correspond to the entropy production rate and housekeeping heat in stochastic thermodynamics and identify a relative entropy H as a generalized free energy. We reach a new formulation of Markovian nonequilibrium thermodynamics based on only the internal kinetic equation without further
Giant magnetocaloric effect, magnetization plateaux and jumps of the regular Ising polyhedra
International Nuclear Information System (INIS)
Strečka, Jozef; Karľová, Katarína; Madaras, Tomáš
2015-01-01
Magnetization process and adiabatic demagnetization of the antiferromagnetic Ising spin clusters with the shape of regular polyhedra (Platonic solids) are exactly examined within the framework of a simple graph-theoretical approach. While the Ising cube as the only unfrustrated (bipartite) spin cluster shows just one trivial plateau at zero magnetization, the other regular Ising polyhedra (tetrahedron, octahedron, icosahedron and dodecahedron) additionally display either one or two intermediate plateaux at fractional values of the saturation magnetization. The nature of highly degenerate ground states emergent at intermediate plateaux owing to a geometric frustration is clarified. It is evidenced that the regular Ising polyhedra exhibit a giant magnetocaloric effect in a vicinity of magnetization jumps, whereas the Ising octahedron and dodecahedron belong to the most prominent geometrically frustrated spin clusters that enable an efficient low-temperature refrigeration by the process of adiabatic demagnetization
Giant magnetocaloric effect, magnetization plateaux and jumps of the regular Ising polyhedra
Energy Technology Data Exchange (ETDEWEB)
Strečka, Jozef, E-mail: jozef.strecka@upjs.sk [Institute of Physics, Faculty of Science, P.J. Šafárik University, Park Angelinum 9, 040 01 Košice (Slovakia); Karľová, Katarína [Institute of Physics, Faculty of Science, P.J. Šafárik University, Park Angelinum 9, 040 01 Košice (Slovakia); Madaras, Tomáš [Institute of Mathematics, Faculty of Science, P.J. Šafárik University, Jesenná 5, 040 01 Košice (Slovakia)
2015-06-15
Magnetization process and adiabatic demagnetization of the antiferromagnetic Ising spin clusters with the shape of regular polyhedra (Platonic solids) are exactly examined within the framework of a simple graph-theoretical approach. While the Ising cube as the only unfrustrated (bipartite) spin cluster shows just one trivial plateau at zero magnetization, the other regular Ising polyhedra (tetrahedron, octahedron, icosahedron and dodecahedron) additionally display either one or two intermediate plateaux at fractional values of the saturation magnetization. The nature of highly degenerate ground states emergent at intermediate plateaux owing to a geometric frustration is clarified. It is evidenced that the regular Ising polyhedra exhibit a giant magnetocaloric effect in a vicinity of magnetization jumps, whereas the Ising octahedron and dodecahedron belong to the most prominent geometrically frustrated spin clusters that enable an efficient low-temperature refrigeration by the process of adiabatic demagnetization.
Giant magnetocaloric effect, magnetization plateaux and jumps of the regular Ising polyhedra
Strečka, Jozef; Karľová, Katarína; Madaras, Tomáš
2015-06-01
Magnetization process and adiabatic demagnetization of the antiferromagnetic Ising spin clusters with the shape of regular polyhedra (Platonic solids) are exactly examined within the framework of a simple graph-theoretical approach. While the Ising cube as the only unfrustrated (bipartite) spin cluster shows just one trivial plateau at zero magnetization, the other regular Ising polyhedra (tetrahedron, octahedron, icosahedron and dodecahedron) additionally display either one or two intermediate plateaux at fractional values of the saturation magnetization. The nature of highly degenerate ground states emergent at intermediate plateaux owing to a geometric frustration is clarified. It is evidenced that the regular Ising polyhedra exhibit a giant magnetocaloric effect in a vicinity of magnetization jumps, whereas the Ising octahedron and dodecahedron belong to the most prominent geometrically frustrated spin clusters that enable an efficient low-temperature refrigeration by the process of adiabatic demagnetization.
Kawakatsu, T.; Matsuyama, A.; Ohta, T.; Tanaka, H.; Tanaka, S.
2011-07-01
, Culture, Sports, Science and Technology (MEXT) of Japan. We thank those who contributed to this symposium as well as members of the 'Soft Matter Physics' project for their valuable discussions and collaborations. Non-equilibrium soft matter contents Insights on raft behavior from minimal phenomenological models G Garbès Putzel and M Schick Dynamical membrane curvature instability controlled by intermonolayer friction Anne-Florence Bitbol, Jean-Baptiste Fournier, Miglena I Angelova and Nicolas Puff Numerical investigations of the dynamics of two-component vesicles Takashi Taniguchi, Miho Yanagisawa and Masayuki Imai Asymmetric distribution of cone-shaped lipids in a highly curved bilayer revealed by a small angle neutron scattering technique Y Sakuma, N Urakami, T Taniguchi and M Imai Hydration, phase separation and nonlinear rheology of temperature-sensitive water-soluble polymers Fumihiko Tanaka, Tsuyoshi Koga, Isamu Kaneda and Françoise M Winnik Morphology and rheology of an immiscible polymer blend subjected to a step electric field under shear flow H Orihara, Y Nishimoto, K Aida, Y H Na, T Nagaya and S Ujiie Surfactant-induced friction reduction for hydrogels in the boundary lubrication regime Kosuke Kamada, Hidemitsu Furukawa, Takayuki Kurokawa, Tomohiro Tada, Taiki Tominaga, Yukihiro Nakano and Jian Ping Gong Fabrication and structural analysis of polyrotaxane fibers and films Yasuhiro Sakai, Kentaro Ueda, Naoya Katsuyama, Koji Shimizu, Shunya Sato, Jun Kuroiwa, Jun Araki, Akira Teramoto, Koji Abe, Hideaki Yokoyama and Kohzo Ito Micellization kinetics of diblock copolymers in a homopolymer matrix: a self-consistent field study Raghuram Thiagarajan and David C Morse Hierarchical self-assembly of two-length-scale multiblock copolymers Gerrit ten Brinke, Katja Loos, Ivana Vukovic and Gerrit Gobius du Sart Kaleidoscopic morphologies from ABC star-shaped terpolymers Yushu Matsushita, Kenichi Hayashida, Tomonari Dotera and Atsushi Takano Direct and inverted nematic
Mechanochemically driven nonequilibrium processes in MNH2-CaH2 systems (M = Li or Na)
International Nuclear Information System (INIS)
Dolotko, Oleksandr; Zhang Haiqiao; Li Sa; Jena, Puru; Pecharsky, Vitalij
2010-01-01
Mechanochemical transformations of lithium and sodium amides with calcium hydride have been investigated using gas volumetric analysis, X-ray powder diffraction, and residual gas analysis. The overall mechanochemical transformations are equimolar, and they proceed as the following solid state reaction: MNH 2 + CaH 2 → CaNH + MH + H 2 , where M = Li or Na. The transformation kinetics of the lithium containing system is markedly faster compared to the system with sodium. The difference in the rates of solid state transformations, and therefore, in hydrogen release kinetics can be explained by difference in mobility of lithium and sodium atoms. Total energies and enthalpies of formation for different reaction products during the dehydrogenation of CaH 2 -MNH 2 mixtures were calculated using density functional theory. Compared to thermochemical transformations, which proceed in accordance with thermodynamic equilibrium, reactions induced by mechanical energy drive the MNH 2 -CaH 2 systems to nonequilibrium configurations with different final products.
Nonequilibrium dynamics in an interacting Fe-C nanoparticle system
DEFF Research Database (Denmark)
Jönsson, P.; Hansen, Mikkel Fougt; Nordblad, P.
2000-01-01
Nonequilibrium dynamics in an interacting Fe-C nanoparticle sample, exhibiting a low-temperature spin-glass-like phase, has been studied by low-frequency ac susceptibility and magnetic relaxation experiments. The nonequilibrium behavior shows characteristic spin-glass features, but some qualitative...
Exploring Chemical and Thermal Non-equilibrium in Nitrogen Arcs
International Nuclear Information System (INIS)
Ghorui, S; Das, A K
2012-01-01
Plasma torches operating with nitrogen are of special importance as they can operate with usual tungsten based refractory electrodes and offer radical rich non-oxidizing high temperature environment for plasma chemistry. Strong gradients in temperature as well as species densities and huge convective fluxes lead to varying degrees of chemical non-equilibrium in associated regions. An axi-symmetric two-temperature chemical non-equilibrium model of a nitrogen plasma torch has been developed to understand the effects of thermal and chemical non-equilibrium in arcs. A 2-D finite volume CFD code in association with a non-equilibrium property routine enabled extraction of steady state self-consistent distributions of various plasma quantities inside the torch under various thermal and chemical non-equilibrium conditions. Chemical non-equilibrium has been incorporated through computation of diffusive and convective fluxes in each finite volume cell in every iteration and associating corresponding thermodynamic and transport properties through the scheme of 'chemical non-equilibrium parameter' introduced by Ghorui et. al. Recombination coefficient data from Nahar et. al. and radiation data from Krey and Morris have been used in the simulation. Results are presented for distributions of temperature, pressure, velocity, current density, electric potential, species densities and chemical non-equilibrium effects. Obtained results are compared with similar results under LTE.
Qin, Tao; Hofstetter, Walter
2018-03-01
Time-periodically driven systems are a versatile toolbox for realizing interesting effective Hamiltonians. Heating, caused by excitations to high-energy states, is a challenge for experiments. While most setups so far address the relatively weakly interacting regime, it is of general interest to study heating in strongly correlated systems. Using Floquet dynamical mean-field theory, we study nonequilibrium steady states (NESS) in the Falicov-Kimball model, with time-periodically driven kinetic energy or interaction. We systematically investigate the nonequilibrium properties of the NESS. For a driven kinetic energy, we show that resonant tunneling, where the interaction is an integer multiple of the driving frequency, plays an important role in the heating. In the strongly correlated regime, we show that this can be well understood using Fermi's golden rule and the Schrieffer-Wolff transformation for a time-periodically driven system. We furthermore demonstrate that resonant tunneling can be used to control the population of Floquet states to achieve "photodoping." For driven interactions introduced by an oscillating magnetic field near a widely adopted Feshbach resonance, we find that the double occupancy is strongly modulated. Our calculations apply to shaken ultracold-atom systems and to solid-state systems in a spatially uniform but time-dependent electric field. They are also closely related to lattice modulation spectroscopy. Our calculations are helpful to understand the latest experiments on strongly correlated Floquet systems.
Nonequilibrium dynamical mean-field theory
International Nuclear Information System (INIS)
Eckstein, Martin
2009-01-01
The aim of this thesis is the investigation of strongly interacting quantum many-particle systems in nonequilibrium by means of the dynamical mean-field theory (DMFT). An efficient numerical implementation of the nonequilibrium DMFT equations within the Keldysh formalism is provided, as well a discussion of several approaches to solve effective single-site problem to which lattice models such as the Hubbard-model are mapped within DMFT. DMFT is then used to study the relaxation of the thermodynamic state after a sudden increase of the interaction parameter in two different models: the Hubbard model and the Falicov-Kimball model. In the latter case an exact solution can be given, which shows that the state does not even thermalize after infinite waiting times. For a slow change of the interaction, a transition to adiabatic behavior is found. The Hubbard model, on the other hand, shows a very sensitive dependence of the relaxation on the interaction, which may be called a dynamical phase transition. Rapid thermalization only occurs at the interaction parameter which corresponds to this transition. (orig.)
Nonequilibrium dynamical mean-field theory
Energy Technology Data Exchange (ETDEWEB)
Eckstein, Martin
2009-12-21
The aim of this thesis is the investigation of strongly interacting quantum many-particle systems in nonequilibrium by means of the dynamical mean-field theory (DMFT). An efficient numerical implementation of the nonequilibrium DMFT equations within the Keldysh formalism is provided, as well a discussion of several approaches to solve effective single-site problem to which lattice models such as the Hubbard-model are mapped within DMFT. DMFT is then used to study the relaxation of the thermodynamic state after a sudden increase of the interaction parameter in two different models: the Hubbard model and the Falicov-Kimball model. In the latter case an exact solution can be given, which shows that the state does not even thermalize after infinite waiting times. For a slow change of the interaction, a transition to adiabatic behavior is found. The Hubbard model, on the other hand, shows a very sensitive dependence of the relaxation on the interaction, which may be called a dynamical phase transition. Rapid thermalization only occurs at the interaction parameter which corresponds to this transition. (orig.)
Nonequilibrium free diffusion in seed leachate
Ortiz G., Luis; Riquelme P., Pablo; Guzmán, R.
2013-11-01
In this work, we use a Schlieren-like Near Field Scattering (SNFS) setup to study nonequilibrium free diffusion behavior of a colloidal solution obtained from seeds leachate. The main objective is to compare the temporal behavior of the diffusion coefficient of seed leachate with an electric conductivity based vigor test. SNFS sizing measurements, based on Mie theory, were carried out to ensure its reliability and sensitivity. Then, we performed a typical nonequilibrium free diffusion experiment of a glycerol-water mixture. In this way, we confirmed that SNFS setup is sensitive to giant concentration fluctuations of nanocolloidal solutions. The results obtained in this stage reproduce properly the data reported elsewhere in literature. Moreover, seed leachate diffuse, in water, in a similar way that glycerol does. In both cases we used the same method (dynamic structure factor) to determine thermo-physical properties. We show that time evolution of diffusion coefficient of Lupinus Albus leachate exhibits three defined regimes as electric conductivity measurements. The results also exhibit a correspondence between the behavior of the diffusion coefficient and electric conductivity values of the two regions in the temporal range studied. Finally, we discuss biological processes involved in germination that could modulate this dependence, and the role played by the electrolytic nature of solutes.
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.
Non-equilibrium many body dynamics
International Nuclear Information System (INIS)
Creutz, M.; Gyulassy, M.
1997-01-01
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
Toward an Ising model of cancer and beyond
Torquato, Salvatore
2011-02-01
The holy grail of tumor modeling is to formulate theoretical and computational tools that can be utilized in the clinic to predict neoplastic progression and propose individualized optimal treatment strategies to control cancer growth. In order to develop such a predictive model, one must account for the numerous complex mechanisms involved in tumor growth. Here we review the research work that we have done toward the development of an 'Ising model' of cancer. The Ising model is an idealized statistical-mechanical model of ferromagnetism that is based on simple local-interaction rules, but nonetheless leads to basic insights and features of real magnets, such as phase transitions with a critical point. The review begins with a description of a minimalist four-dimensional (three dimensions in space and one in time) cellular automaton (CA) model of cancer in which cells transition between states (proliferative, hypoxic and necrotic) according to simple local rules and their present states, which can viewed as a stripped-down Ising model of cancer. This model is applied to study the growth of glioblastoma multiforme, the most malignant of brain cancers. This is followed by a discussion of the extension of the model to study the effect on the tumor dynamics and geometry of a mutated subpopulation. A discussion of how tumor growth is affected by chemotherapeutic treatment, including induced resistance, is then described. We then describe how to incorporate angiogenesis as well as the heterogeneous and confined environment in which a tumor grows in the CA model. The characterization of the level of organization of the invasive network around a solid tumor using spanning trees is subsequently discussed. Then, we describe open problems and future promising avenues for future research, including the need to develop better molecular-based models that incorporate the true heterogeneous environment over wide range of length and time scales (via imaging data), cell motility
Simple method to calculate percolation, Ising and Potts clusters
International Nuclear Information System (INIS)
Tsallis, C.
1981-01-01
A procedure ('break-collapse method') is introduced which considerably simplifies the calculation of two - or multirooted clusters like those commonly appearing in real space renormalization group (RG) treatments of bond-percolation, and pure and random Ising and Potts problems. The method is illustrated through two applications for the q-state Potts ferromagnet. The first of them concerns a RG calculation of the critical exponent ν for the isotropic square lattice: numerical consistence is obtained (particularly for q→0) with den Nijs conjecture. The second application is a compact reformulation of the standard star-triangle and duality transformations which provide the exact critical temperature for the anisotropic triangular and honeycomb lattices. (Author) [pt
Ising model with long range correlated disorder on hierarchical lattices
Andrade, Roberto F. S.; Cason, Daniel
2010-01-01
A next-neighbor Ising model with disordered but long range correlated coupling constants is investigated. The model is built on a hierarchical lattice and the correlation strength depends on a tuning parameter α . The results are obtained within a transfer-matrix framework, which allows for the evaluation of the properties of individual samples. Collective behavior is computed by averaging over a large number of independent realizations. The dependence of the thermodynamic and magnetic functions with respect to the temperature is investigated for each value of α . Phase diagrams in the (α,T) plane are constructed for two distinct versions of the model, indicating the existence of regions of paramagnetic and ordered phases. Critical values αc , below which the system always assumes the paramagnetic phase, are found for both versions.
The dynamics of the Frustrated Ising Lattice Gas
International Nuclear Information System (INIS)
Arenzon, J.J.; Stariolo, D.A.; Ricci-Tersenghi, F.
2000-04-01
The dynamical properties of a three dimensional model glass, the Frustrated Ising Lattice Gas (FILG) are studied by Monte Carlo simulations. We present results of compression experiments, where the chemical potential is either slowly or abruptly changed, as well as simulations at constant density. One-time quantities like density and two-times ones as correlations, responses and mean square displacements are measured, and the departure from equilibrium clearly characterized. The aging scenario, particularly in the case of the density autocorrelations, is reminiscent of spin glass phenomenology with violations of the fluctuation-dissipation theorem, typical of systems with one replica symmetry breaking. The FILG, as a valid on-lattice model of structural glasses, can be described with tools developed in spin glass theory and, being a finite dimensional model, can open the way for a systematic study of activated processes in glasses. (author)
On the phase transition nature in compressible Ising models
International Nuclear Information System (INIS)
Ota, A.T.
1985-01-01
The phase transition phenomenon is analysed in a compressible ferromagnetic Ising model at null field, through the mean-field approximation. The model studied is d-dimensional under the magnetic point of view and one-dimensional under the elastic point of view. This is achieved keeping the compressive interactions among the ions and rejecting annealing forces completely. The exchange parameter J is linear and the elastic potential quadratic in relation to the microscopic shifts of the lattice. In the one-dimensional case, this model shows no phase transition. In the two-dimensional case, the role of the S i spin of the i-the ion is crucial: a) for spin 1/2 the transitions are of second order; b) for spin 1, desides the second order transitions there is a three-critical point and a first-order transitions line. (L.C.) [pt
Noise as a Probe of Ising Spin Glass Transitions
Chen, Zhi; Yu, Clare
2009-03-01
Noise is ubiquitous and and is often viewed as a nuisance. However, we propose that noise can be used as a probe of the fluctuations of microscopic entities, especially in the vicinity of a phase transition. In recent work we have used simulations to show that the noise increases in the vicinity of phase transitions of ordered systems. We have recently turned our attention to noise near the phase transitions of disordered systems. In particular, we are studying the noise near Ising spin glass transitions using Monte Carlo simulations. We monitor the system as a function of temperature. At each temperature, we obtain the time series of quantities characterizing the properties of the system, i.e., the energy and magnetization. We look at different quantities, such as the noise power spectrum and the second spectrum of the noise, to analyze the fluctuations.
Antiferromagnetic Ising model with transverse and longitudinal field
International Nuclear Information System (INIS)
Kischinhevsky, M.
1985-01-01
We study the quantum hamiltonian version of the Ising Model in one spacial dimension under an external longitudinal (uniform) field at zero temperature. A phenomenological renormalization group procedure is used to obtain the phase diagram; the transverse and longitudinal zero field limits are studied and we verify the validity of universality at non zero transverse fields, where two-dimensional critical behaviour is obtained. To perform the numerical calculations we use the Lanczos scheme, which gives highly precise results with rather short processing times. We also analyse the possibility of using these techniques to extend the present work to the quantum hamiltonian version of the q-state Potts Model (q>2) in larger system. (author) [pt
Interfaces in confined Ising models: Kawasaki, Glauber and sheared dynamics
International Nuclear Information System (INIS)
Smith, Thomas H R; Schmidt, Matthias; Vasilyev, Oleg; Maciolek, Anna; Abraham, Douglas B
2008-01-01
We study interfacial properties of the phase-separated two-dimensional Ising model. The interface between coexisting phases is stabilized by two parallel walls with opposing surface fields. A driving field parallel to the walls is applied which (i) either acts locally at the walls or (ii) varies linearly with distance across the strip. Using computer simulations with Kawasaki dynamics, we found (Smith et al 2008 Phys. Rev. Lett. 101 067203) that the system reaches a steady state with a sharper magnetization profile, reduced interfacial width, and faster decay of correlations along the interface, as compared to the equilibrium case. Here we present new results for the bond energy profile, providing further evidence for the picture wherein shear acts as effective confinement in this system. As a prerequisite for understanding the driven system, we investigate the pronounced differences between Kawasaki (spin-exchange) and Glauber (spin-flip) dynamics in the confined equilibrium system.
Magnetic properties of Ising thin films with cubic lattices
Laosiritaworn, Y.; Poulter, J.; Staunton, J. B.
2004-09-01
We have used Monte Carlo simulations and mean-field analysis to observe the magnetic behavior of Ising thin films with cubic lattice structures as a function of temperature and thickness, especially in the critical region. Magnetization and magnetic susceptibility, including layer variation, are investigated. We find that the magnetic behavior changes from two-dimensional to three-dimensional character with increasing film thickness. Both the crossover of the critical temperature from a two-dimensional to a bulk value and the shift exponent are observed. Nevertheless, with support from a scaling function, the simulations show that the effective critical exponents for films with large enough layer extents only vary a little from their two-dimensional values. This, in particular, provides an indication of two-dimensional universality in the thin films.
Status of Four-Junction Cell Development at Fraunhofer ISE
Directory of Open Access Journals (Sweden)
Lackner D.
2017-01-01
Full Text Available Four-junction solar cells are being developed for space applications as they promise higher efficiencies compared to the present GaInP/GaInAs/Ge triple-junction industry standard. There are multiple technological routes to achieve four-junction cells with the ideal bandgap combination of 1.9 eV, 1.4 eV 1.05 eV and 0.7 eV. This includes metamorphic growth concepts and direct semiconductor wafer bonded technology. All cell designs have their specific advantages and challenges. Therefore, at Fraunhofer ISE a plurality of different four-junction cell concepts is under investigation. The current status of the development and a discussion of so far achieved characteristics are presented in this work.
Ising Models on Power-Law Random Graphs
Dommers, Sander; Giardinà, Cristian; van der Hofstad, Remco
2010-11-01
We study a ferromagnetic Ising model on random graphs with a power-law degree distribution and compute the thermodynamic limit of the pressure when the mean degree is finite (degree exponent τ>2), for which the random graph has a tree-like structure. For this, we closely follow the analysis by Dembo and Montanari (Ann. Appl. Probab. 20(2):565-592, 2010) which assumes finite variance degrees ( τ>3), adapting it when necessary and also simplifying it when possible. Our results also apply in cases where the degree distribution does not obey a power law. We further identify the thermodynamic limits of various physical quantities, such as the magnetization and the internal energy.
Large-scale Ising-machines composed of magnetic neurons
Mizushima, Koichi; Goto, Hayato; Sato, Rie
2017-10-01
We propose Ising-machines composed of magnetic neurons, that is, magnetic bits in a recording track. In large-scale machines, the sizes of both neurons and synapses need to be reduced, and neat and smart connections among neurons are also required to achieve all-to-all connectivity among them. These requirements can be fulfilled by adopting magnetic recording technologies such as race-track memories and skyrmion tracks because the area of a magnetic bit is almost two orders of magnitude smaller than that of static random access memory, which has normally been used as a semiconductor neuron, and the smart connections among neurons are realized by using the read and write methods of these technologies.
Restoration of dimensional reduction in the random-field Ising model at five dimensions
Fytas, Nikolaos G.; Martín-Mayor, Víctor; Picco, Marco; Sourlas, Nicolas
2017-04-01
The random-field Ising model is one of the few disordered systems where the perturbative renormalization group can be carried out to all orders of perturbation theory. This analysis predicts dimensional reduction, i.e., that the critical properties of the random-field Ising model in D dimensions are identical to those of the pure Ising ferromagnet in D -2 dimensions. It is well known that dimensional reduction is not true in three dimensions, thus invalidating the perturbative renormalization group prediction. Here, we report high-precision numerical simulations of the 5D random-field Ising model at zero temperature. We illustrate universality by comparing different probability distributions for the random fields. We compute all the relevant critical exponents (including the critical slowing down exponent for the ground-state finding algorithm), as well as several other renormalization-group invariants. The estimated values of the critical exponents of the 5D random-field Ising model are statistically compatible to those of the pure 3D Ising ferromagnet. These results support the restoration of dimensional reduction at D =5 . We thus conclude that the failure of the perturbative renormalization group is a low-dimensional phenomenon. We close our contribution by comparing universal quantities for the random-field problem at dimensions 3 ≤D <6 to their values in the pure Ising model at D -2 dimensions, and we provide a clear verification of the Rushbrooke equality at all studied dimensions.
Ising formulation of associative memory models and quantum annealing recall
Santra, Siddhartha; Shehab, Omar; Balu, Radhakrishnan
2017-12-01
Associative memory models, in theoretical neuro- and computer sciences, can generally store at most a linear number of memories. Recalling memories in these models can be understood as retrieval of the energy minimizing configuration of classical Ising spins, closest in Hamming distance to an imperfect input memory, where the energy landscape is determined by the set of stored memories. We present an Ising formulation for associative memory models and consider the problem of memory recall using quantum annealing. We show that allowing for input-dependent energy landscapes allows storage of up to an exponential number of memories (in terms of the number of neurons). Further, we show how quantum annealing may naturally be used for recall tasks in such input-dependent energy landscapes, although the recall time may increase with the number of stored memories. Theoretically, we obtain the radius of attractor basins R (N ) and the capacity C (N ) of such a scheme and their tradeoffs. Our calculations establish that for randomly chosen memories the capacity of our model using the Hebbian learning rule as a function of problem size can be expressed as C (N ) =O (eC1N) , C1≥0 , and succeeds on randomly chosen memory sets with a probability of (1 -e-C2N) , C2≥0 with C1+C2=(0.5-f ) 2/(1 -f ) , where f =R (N )/N , 0 ≤f ≤0.5 , is the radius of attraction in terms of the Hamming distance of an input probe from a stored memory as a fraction of the problem size. We demonstrate the application of this scheme on a programmable quantum annealing device, the D-wave processor.
DEFF Research Database (Denmark)
van Leeuwen, Theo; Djonov, Emilia
2014-01-01
After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images....
DEFF Research Database (Denmark)
van Leeuwen, Theo; Djonov, Emilia
2014-01-01
After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images.......After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images....
Non-equilibrium synergistic effects in atmospheric pressure plasmas.
Guo, Heng; Zhang, Xiao-Ning; Chen, Jian; Li, He-Ping; Ostrikov, Kostya Ken
2018-03-19
Non-equilibrium is one of the important features of an atmospheric gas discharge plasma. It involves complicated physical-chemical processes and plays a key role in various actual plasma processing. In this report, a novel complete non-equilibrium model is developed to reveal the non-equilibrium synergistic effects for the atmospheric-pressure low-temperature plasmas (AP-LTPs). It combines a thermal-chemical non-equilibrium fluid model for the quasi-neutral plasma region and a simplified sheath model for the electrode sheath region. The free-burning argon arc is selected as a model system because both the electrical-thermal-chemical equilibrium and non-equilibrium regions are involved simultaneously in this arc plasma system. The modeling results indicate for the first time that it is the strong and synergistic interactions among the mass, momentum and energy transfer processes that determine the self-consistent non-equilibrium characteristics of the AP-LTPs. An energy transfer process related to the non-uniform spatial distributions of the electron-to-heavy-particle temperature ratio has also been discovered for the first time. It has a significant influence for self-consistently predicting the transition region between the "hot" and "cold" equilibrium regions of an AP-LTP system. The modeling results would provide an instructive guidance for predicting and possibly controlling the non-equilibrium particle-energy transportation process in various AP-LTPs in future.
Testing Lorentz Invariance Emergence in the Ising Model using Monte Carlo simulations
Dias Astros, Maria Isabel
2017-01-01
In the context of the Lorentz invariance as an emergent phenomenon at low energy scales to study quantum gravity a system composed by two 3D interacting Ising models (one with an anisotropy in one direction) was proposed. Two Monte Carlo simulations were run: one for the 2D Ising model and one for the target model. In both cases the observables (energy, magnetization, heat capacity and magnetic susceptibility) were computed for different lattice sizes and a Binder cumulant introduced in order to estimate the critical temperature of the systems. Moreover, the correlation function was calculated for the 2D Ising model.
Thermodynamics of Nonequilibrium Systems with Feedback Control
Sagawa, Takahiro
2015-03-01
In modern nonequilibrium physics, ``Maxwell's demon'' has attracted renewed attentions in both terms of theory and experiment. The demon plays a key role to unify thermodynamics and information theory, which can extract the useful work from a heat bath by using the obtained information via feedback control. In this talk, I will talk about the recent development of thermodynamics of information. In particular, I will focus on the generalizations of the second law of thermodynamics and the Jarzynski equality in the presence of feedback control, where information contents and thermodynamic quantities are treated on an equal footing. I will also discuss recent experimental results that realized Maxwell's demon by colloidal particles and single electrons.
Non-equilibrium in flowing atmospheric plasmas
International Nuclear Information System (INIS)
Haas, J.C.M. de.
1986-01-01
This thesis deals with the fundamental aspects of two different plasmas applied in technological processes. The first one is the cesium seeded argon plasma in a closed cycle Magnetohydrodynamic (MHD) generator, the second is the thermal argon plasma in a cascade arc with an imposed flow. In Chapter 2 the influence of non-equilibrium on the mass and energy balances of a plasma is worked out. The general theory presented there can be applied to both the plasma in an MHD generator and to the cascade arc with imposed flow. Introductions to these plasmas are given in the Chapters 3 and 6 respectively. These chapters are both followed by two chapters which treat the theoretical and the experimental investigations. The results are summarized in Chapter 9. (Auth.)
Non-equilibrium effects in the plasmas
International Nuclear Information System (INIS)
Einfeld, D.
1975-01-01
Radial dependences of non-equilibrium effects of a He plasma were studied in a wall-stabilized short-time discharge. The electron density (nsub(e) = 2.5 x 10 22 m -3 ), the electron temperature and the equilibrium shift were determined by calculations of the continuum beam density and the beam densities of one He-I and one He-II line, respectively. In the discharge axis, the overpopulation factors of the ground state of He-I and He-II are about 75. As the distance to the axis increases, they increase for He-I and decrease for He-II. Except for the usual errors of measurement, the overpopulation factors found here correspond to those calculated from the balance equations (Drawin). (orig./AK) [de
Nonequilibrium work relation in a macroscopic system
International Nuclear Information System (INIS)
Sughiyama, Yuki; Ohzeki, Masayuki
2013-01-01
We reconsider a well-known relationship between the fluctuation theorem and the second law of thermodynamics by evaluating stochastic evolution of the density field (probability measure valued process). In order to establish a bridge between microscopic and macroscopic behaviors, we must take the thermodynamic limit of a stochastic dynamical system following the standard procedure in statistical mechanics. The thermodynamic path characterizing a dynamical behavior in the macroscopic scale can be formulated as an infimum of the action functional for the stochastic evolution of the density field. In our formulation, the second law of thermodynamics can be derived only by symmetry of the action functional without recourse to the Jarzynski equality. Our formulation leads to a nontrivial nonequilibrium work relation for metastable (quasi-stationary) states, which are peculiar in the macroscopic system. We propose a prescription for computing the free energy for metastable states based on the resultant work relation. (paper)
Magnetic polarons in a nonequilibrium polariton condensate
Mietki, Paweł; Matuszewski, Michał
2017-09-01
We consider a condensate of exciton polaritons in a diluted magnetic semiconductor microcavity. Such a system may exhibit magnetic self-trapping in the case of sufficiently strong coupling between polaritons and magnetic ions embedded in the semiconductor. We investigate the effect of the nonequilibrium nature of exciton polaritons on the physics of the resulting self-trapped magnetic polarons. We find that multiple polarons can exist at the same time, and we derive a critical condition for self-trapping that is different from the one predicted previously in the equilibrium case. Using the Bogoliubov-de Gennes approximation, we calculate the excitation spectrum and provide a physical explanation in terms of the effective magnetic attraction between polaritons, mediated by the ion subsystem.
Shortcuts to isothermality and nonequilibrium work relations.
Li, Geng; Quan, H T; Tu, Z C
2017-07-01
In conventional thermodynamics, it is widely acknowledged that the realization of an isothermal process for a system requires a quasistatic controlling protocol. Here we propose and design a strategy to realize a finite-rate isothermal transition from an equilibrium state to another one at the same temperature, which is named the "shortcut to isothermality." By using shortcuts to isothermality, we derive three nonequilibrium work relations, including an identity between the free-energy difference and the mean work due to the potential of the original system, a Jarzynski-like equality, and the inverse relationship between the dissipated work and the total driving time. We numerically test these three relations by considering the motion of a Brownian particle trapped in a harmonic potential and dragged by a time-dependent force.
Nanoscale hotspots due to nonequilibrium thermal transport
International Nuclear Information System (INIS)
Sinha, Sanjiv; Goodson, Kenneth E.
2004-01-01
Recent experimental and modeling efforts have been directed towards the issue of temperature localization and hotspot formation in the vicinity of nanoscale heat generating devices. The nonequilibrium transport conditions which develop around these nanoscale devices results in elevated temperatures near the heat source which can not be predicted by continuum diffusion theory. Efforts to determine the severity of this temperature localization phenomena in silicon devices near and above room temperature are of technological importance to the development of microelectronics and other nanotechnologies. In this work, we have developed a new modeling tool in order to explore the magnitude of the additional thermal resistance which forms around nanoscale hotspots from temperatures of 100-1000K. The models are based on a two fluid approximation in which thermal energy is transferred between ''stationary'' optical phonons and fast propagating acoustic phonon modes. The results of the model have shown excellent agreement with experimental results of localized hotspots in silicon at lower temperatures. The model predicts that the effect of added thermal resistance due to the nonequilibrium phonon distribution is greatest at lower temperatures, but is maintained out to temperatures of 1000K. The resistance predicted by the numerical code can be easily integrated with continuum models in order to predict the temperature distribution around nanoscale heat sources with improved accuracy. Additional research efforts also focused on the measurements of the thermal resistance of silicon thin films at higher temperatures, with a focus on polycrystalline silicon. This work was intended to provide much needed experimental data on the thermal transport properties for micro and nanoscale devices built with this material. Initial experiments have shown that the exposure of polycrystalline silicon to high temperatures may induce recrystallization and radically increase the thermal
Cross-coupling effects in chemically non-equilibrium viscous compressible flows
International Nuclear Information System (INIS)
Kustova, E.V.; Giordano, D.
2011-01-01
Graphical abstract: Self-cosistent kinetic-theory description of chemical-reaction rates and mean normal stress in one-temperature viscous compressible gas flows. Reaearch highlights: → In chemically non-equilibrium viscous compressible flows, the rate of each reaction depends on the velocity divergence and rates of all other reactions. → Cross effects between the rates of chemical reactions and normal mean stress can be found in the symmetric form and expressed in terms of the reaction affinities. → In the case of small affinities, the entropy production is unconditionally non-negative; in the case of finite affinities, the entropy production related to the scalar forces has no definite sign. - Abstract: A closed self-consistent description of a one-temperature non-equilibrium reacting flow is presented on the basis of the kinetic theory methods. A general case including internal degrees of freedom, dissociation-recombination and exchange reactions, and arbitrary values of affinities of chemical reactions is considered. Chemical-reaction rates and mean normal stress in viscous compressible flows are studied and a symmetric cross coupling between these terms is found. It is shown that the rate of each chemical reaction and the mean normal stress depend on velocity divergence and affinities of all chemical reactions; the law of mass action is violated in viscous flows. The results obtained in the frame of linear irreversible thermodynamics can be deduced from the proposed model for the particular case of small affinities. The reciprocal Onsager-Casimir relations are verified, the symmetry of kinetic coefficients is demonstrated, and the entropy production in a viscous flow is studied.
Nonequilibrium phenomena in chiral physics and hot gauge theories
Sivaramakrishnan, Prem Kumar
We develop and implement a consistent quantum field theory framework for analysing a variety of non- equilibrium, non-perturbative phenomena associated with the Chiral Phase transition and gauge theories at finite temperature. We present a first principles calculation (within the framework of the gauged linear sigma-model) of the photon production rate during this phase transition and in the process we develop a new, improved approach towards quantum kinetics which goes far beyond standard Boltzmann-like equations. We also study the anomalous coupling of the neutral pion field to electromagnetism and find that under certain conditions, this coupling can lead to photon production via a process of parametric amplification which is intrinsically a non- perturbative phenomenon. The resulting spectrum of photons has very distinctive peaks and exhibits a polarisation asymmetry. We argue that these electromagnetic signals could be striking signatures of the Chiral Phase transition out-of-equilibrium. Motivated by certain issues associated with baryogenesis in the hot electroweak theory and with a view towards gaining an understanding of the dynamics of soft collective excitations in the Quark-Gluon Plasma, we turn our attention to the nonequilibrium dynamics of soft gauge field configurations in hot scalar QED. We argue that the dynamics of the long-wavelength excitations is determined by the Hard Thermal Loop self-energy which has the same form in both scalar QED and the non-Abelian case. We find that the relaxation of these excitations proceeds via power laws which are completely determined by the spectral density at the thresholds of Landau damping cuts. We then show that a Markovian approximation fails to describe the dynamics both at short and long times. We also introduce a new kinetic approach that goes beyond the standard Boltzmann equation by incorporating off-shell processes and find that the distribution function for soft quasiparticles relaxes with a power law
On the Ising model with competing interactions on a Cayley tree: Gibbs measures, free energy
International Nuclear Information System (INIS)
Mukhamedov, Farruh; Rozikov, Utkir
2003-05-01
In the present paper the Ising model with competing binary J and J 1 interactions with spin values ± 1, on a Cayley tree is considered. We study translation-invariant Gibbs measures and corresponding free energies ones. (author)
Kuum IT-trend 2007 - see oled sina ise! / Andrus Hiiepuu, Ants Sild
Hiiepuu, Andrus, 1966-
2007-01-01
Ajakiri Time kuulutas aasta inimeseks tavalise arvutikasutaja, autorid arutlevad, mida see sina ise IT-vallas võiks tähendada. Infotainment - infotehnoloogia -ja kommunikatsioonivahendite ning meelelahutuse sulandumine
Spin waves treatment of the antiferromagnetic ground state of two Ising-like systems
Directory of Open Access Journals (Sweden)
Adegoke Kunle
2014-01-01
Full Text Available Using Anderson's spin wave theory, we derive expressions for the ground state energy of two Ising-like systems. Antiferromagnetic long range order is predicted for one of the systems.
The Influence of Participation in Sustainability Index (ISE in the Financial Performance of Business
Directory of Open Access Journals (Sweden)
Juliana Tatiane Vital
2009-12-01
Full Text Available This article aims to compare the performance, through certain financial indicators, including companies in the guide of the 500 biggest and best companies of Exame Magazine, forming part of the Corporate Sustainability Index (ISE and companies who do not. The primary purpose of ISE is to see the return of a portfolio composed of shares of companies committed to social responsibility and corporate sustainability. This research is classified as being descriptive and largely qualitative. The financial indicators examined in this study were: sales (value and growth, Net Income, Profitability, Net Working Capital, Liquidity, General Debt, Long Term Debt, EBITA and Indicators of export. After the analysis we can conclude that the companies participating in the ISE have greater potential for sales and exports. Companies that are not part of the ISE have better financial performance.
Nonequilibrium electron transport through quantum dots in the Kondo regime
DEFF Research Database (Denmark)
Wölfle, Peter; Paaske, Jens; Rosch, Achim
2005-01-01
Electron transport at large bias voltage through quantum dots in the Kondo regime is described within the perturbative renormalization group extended to nonequilibrium. The conductance, local magnetization, dynamical spin susceptibility and local spectral function are calculated. We show how the ...
Nonequilibrium structure of colloidal dumbbells under oscillatory shear.
Heptner, Nils; Chu, Fangfang; Lu, Yan; Lindner, Peter; Ballauff, Matthias; Dzubiella, Joachim
2015-11-01
We investigate the nonequilibrium behavior of dense, plastic-crystalline suspensions of mildly anisotropic colloidal hard dumbbells under the action of an oscillatory shear field by employing Brownian dynamics computer simulations. In particular, we extend previous investigations, where we uncovered nonequilibrium phase transitions, to other aspect ratios and to a larger nonequilibrium parameter space, that is, a wider range of strains and shear frequencies. We compare and discuss selected results in the context of scattering and rheological experiments. Both simulations and experiments demonstrate that the previously found transitions from the plastic crystal phase with increasing shear strain also occur at other aspect ratios. We explore the transition behavior in the strain-frequency phase and summarize it in a nonequilibrium phase diagram. Additionally, the experimental rheology results hint at a slowing down of the colloidal dynamics with higher aspect ratio.
Electrolytes: transport properties and non-equilibrium thermodynamics
International Nuclear Information System (INIS)
Miller, D.G.
1980-12-01
This paper presents a review on the application of non-equilibrium thermodynamics to transport in electrolyte solutions, and some recent experimental work and results for mutual diffusion in electrolyte solutions
Nonequilibrium phonon effects in midinfrared quantum cascade lasers
Energy Technology Data Exchange (ETDEWEB)
Shi, Y. B., E-mail: yshi9@wisc.edu; Knezevic, I., E-mail: knezevic@engr.wisc.edu [Department of Electrical and Computer Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706-1691 (United States)
2014-09-28
We investigate the effects of nonequilibrium phonon dynamics on the operation of a GaAs-based midinfrared quantum cascade laser over a range of temperatures (77–300 K) via a coupled ensemble Monte Carlo simulation of electron and optical-phonon systems. Nonequilibrium phonon effects are shown to be important below 200 K. At low temperatures, nonequilibrium phonons enhance injection selectivity and efficiency by drastically increasing the rate of interstage electron scattering from the lowest injector state to the next-stage upper lasing level via optical-phonon absorption. As a result, the current density and modal gain at a given field are higher and the threshold current density lower and considerably closer to experiment than results obtained with thermal phonons. By amplifying phonon absorption, nonequilibrium phonons also hinder electron energy relaxation and lead to elevated electronic temperatures.
Effective field treatment of the annealed bond-dilute transverse Ising model
International Nuclear Information System (INIS)
Silva, P.R.; Sa Barreto, F.C. de
1983-01-01
The dilution of the spin-1/2 transverse Ising Model is studied by means of an effective field type treatment based on an extension of Callen's relation to the present model. The thermodynamics of the diluted model is obtained and the results are shown to be an improvement over the standard mean field treatment. The results are also compared with the Monte Carlo calculation for the spin-infinite transverse Ising Model. (Author) [pt
A Comparison of Conditional Volatility Estimators for the ISE National 100 Index Returns
Köksal, Bülent
2009-01-01
We compare more than 1000 different volatility models in terms of their fit to the historical ISE-100 Index data and their forecasting performance of the conditional variance in an out-of-sample setting. Exponential GARCH model of Nelson (1991) with “constant mean, t-distribution, one lag moving average term” specification achieves the best overall performance for modeling the ISE-100 return volatility. The t-distribution seems to characterize the distribution of the heavy tailed returns bett...
Nonequilibrium flow calculations for the hydrogen constricted arc
Scott, R. K.; Incropera, F. P.
1973-01-01
A nonequilibrium flow model has been formulated and solved numerically for conditions in an atomic hydrogen cascade arc. Solutions show that although thermal nonequilibrium effects are minor, the departure from chemical equilibrium is significant. Comparisons with results obtained from an equilibrium flow model reveal the deficiencies associated with such a model and parametric calculations reveal the effect of current, pressure, and radius on arc behavior.
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(t 4 ) and O(t 1 ), respectively; for the position-autocorrelation function associated with an initial momentum impulse, RPMD and CMD agree with Matsubara dynamics up to O(t 5 ) and O(t 2 ), 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.
Semiconductor of spinons: from Ising band insulator to orthogonal band insulator.
Farajollahpour, T; Jafari, S A
2018-01-10
We use the ionic Hubbard model to study the effects of strong correlations on a two-dimensional semiconductor. The spectral gap in the limit where on-site interactions are zero is set by the staggered ionic potential, while in the strong interaction limit it is set by the Hubbard U. Combining mean field solutions of the slave spin and slave rotor methods, we propose two interesting gapped phases in between: (i) the insulating phase before the Mott phase can be viewed as gapping a non-Fermi liquid state of spinons by the staggered ionic potential. The quasi-particles of underlying spinons are orthogonal to physical electrons, giving rise to the 'ARPES-dark' state where the ARPES gap will be larger than the optical and thermal gap. (ii) The Ising insulator corresponding to ordered phase of the Ising variable is characterized by single-particle excitations whose dispersion is controlled by Ising-like temperature and field dependences. The temperature can be conveniently employed to drive a phase transition between these two insulating phases where Ising exponents become measurable by ARPES and cyclotron resonance. The rare earth monochalcogenide semiconductors where the magneto-resistance is anomalously large can be a candidate system for the Ising band insulator. We argue that the Ising and orthogonal insulating phases require strong enough ionic potential to survive the downward renormalization of the ionic potential caused by Hubbard U.
Semiconductor of spinons: from Ising band insulator to orthogonal band insulator
Farajollahpour, T.; Jafari, S. A.
2018-01-01
We use the ionic Hubbard model to study the effects of strong correlations on a two-dimensional semiconductor. The spectral gap in the limit where on-site interactions are zero is set by the staggered ionic potential, while in the strong interaction limit it is set by the Hubbard U. Combining mean field solutions of the slave spin and slave rotor methods, we propose two interesting gapped phases in between: (i) the insulating phase before the Mott phase can be viewed as gapping a non-Fermi liquid state of spinons by the staggered ionic potential. The quasi-particles of underlying spinons are orthogonal to physical electrons, giving rise to the ‘ARPES-dark’ state where the ARPES gap will be larger than the optical and thermal gap. (ii) The Ising insulator corresponding to ordered phase of the Ising variable is characterized by single-particle excitations whose dispersion is controlled by Ising-like temperature and field dependences. The temperature can be conveniently employed to drive a phase transition between these two insulating phases where Ising exponents become measurable by ARPES and cyclotron resonance. The rare earth monochalcogenide semiconductors where the magneto-resistance is anomalously large can be a candidate system for the Ising band insulator. We argue that the Ising and orthogonal insulating phases require strong enough ionic potential to survive the downward renormalization of the ionic potential caused by Hubbard U.
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.
Nonequilibrium emergent phenomena in organic molecular solids
Energy Technology Data Exchange (ETDEWEB)
Mitrano, Matteo
2015-07-15
The manipulation of matter with ultrashort laser pulses is a relevant research field from both a fundamental and an applied perspective, owing to the efficient coupling to the electronic degrees of freedom on femtosecond timescales and the ability to induce transient phases that cannot be realized in equilibrium scenarios. Strongly correlated materials are a natural environment for the observation of such novel and emergent out-of-equilibrium physics because small modifications to the electron-electron interactions can induce transitions between remarkably different macroscopic phases. One of the most effective means of modifying the effective electron-electron interactions is to perturb the crystal structure through pressure, strain or even light. However, it remains largely unexplored how perturbing the structural degrees of freedom affects the electron dynamics of the transiently driven states and how the interplay of correlations and electron-lattice interactions determine the intrinsic timescales of these nonequilibrium states. This thesis investigates how to control the light-induced nonequilibrium electronic properties in strongly correlated organics, that are highly tunable with moderate variations of external parameters, by perturbing their structural degrees of freedom, either via static pressures or vibrational excitation. We study the role of correlations in determining the relaxation rate of holes (holons) and double occupancies (doublons) in a solid state Mott insulator, the ET-F{sub 2}TCNQ, driven across a transient insulator-to-metal transition. By mapping holon-doublon lifetimes onto the ground-state electronic interactions, we found that the decay rate of the photoinjected quasiparticles depends on the degree of correlation between carriers and is affected by the presence of a competition between local recombination and delocalization of holon-doublon pairs. By optically controlling the effective correlations in organic molecular crystals through
Complex Dynamics in Nonequilibrium Economics and Chemistry
Wen, Kehong
Complex dynamics provides a new approach in dealing with economic complexity. We study interactively the empirical and theoretical aspects of business cycles. The way of exploring complexity is similar to that in the study of an oscillatory chemical system (BZ system)--a model for modeling complex behavior. We contribute in simulating qualitatively the complex periodic patterns observed from the controlled BZ experiments to narrow the gap between modeling and experiment. The gap between theory and reality is much wider in economics, which involves studies of human expectations and decisions, the essential difference from natural sciences. Our empirical and theoretical studies make substantial progress in closing this gap. With the help from the new development in nonequilibrium physics, i.e., the complex spectral theory, we advance our technique in detecting characteristic time scales from empirical economic data. We obtain correlation resonances, which give oscillating modes with decays for correlation decomposition, from different time series including S&P 500, M2, crude oil spot prices, and GNP. The time scales found are strikingly compatible with business experiences and other studies in business cycles. They reveal the non-Markovian nature of coherent markets. The resonances enhance the evidence of economic chaos obtained by using other tests. The evolving multi-humped distributions produced by the moving-time -window technique reveal the nonequilibrium nature of economic behavior. They reproduce the American economic history of booms and busts. The studies seem to provide a way out of the debate on chaos versus noise and unify the cyclical and stochastic approaches in explaining business fluctuations. Based on these findings and new expectation formulation, we construct a business cycle model which gives qualitatively compatible patterns to those found empirically. The soft-bouncing oscillator model provides a better alternative than the harmonic oscillator
Joneta Witabora; Jonata Witabora
2014-01-01
Kinetic Sculpture was born from a long process of searching new approach in sculpture. The artists tried to escape from 'static' paradigm and tried to implement movement into their works: a sculpture that is mobile. Movement is always a fascinating phenomenon to eyes. Kinetic sculpture strength lies in its unique character in combining science and art. Kinetic Sculptures are really interesting pieces of art. It succeeds to fascinate human everytime.
International Nuclear Information System (INIS)
Koffi-Kpante, Kossi
1996-01-01
Inviscid flow of the N 2 -CH 4 -Ar gas mixture in thermochemical nonequilibrium has been studied. We have specially modelled the thermal and the chemical processes, such as vibrational excitation, dissociation, ionization and radiation which can occur in the hypersonic flows. Different vibrational models are tested and the effects of kinetic-vibration coupling modeling are studied on the flow-field properties. Therefore, the intensity of spontaneous emission of CN molecule from B 2 Σ + → X 2 Σ + electronic transition of the violet band, where Δν = 0 is computed. So, comparison is made between experimental and numerical results on: 1) The spontaneous emission of CN, 2) the rotational temperature of CN B state and 3) the vibrational temperature of CN B state. Because of the profiles of the measured intensity and the disagreement between numerical results and measurements, especially on the spontaneous emission and in the thermodynamic size, the inviscid flow and the unsteady boundary layer interaction study is made. Last, the thermal and the chemical processes models described in the first part of this thesis are used to compute the inviscid nonequilibrium flow around the Huygens probe. The equations system has been solved with a finite volume method, in with the fluxes have been split with Van-Leer methods. (author) [fr
The second-order description of rotational non-equilibrium effects in polyatomic gases
Myong, Rho Shin
2017-11-01
The conventional description of gases is based on the physical laws of conservation (mass, momentum, and energy) in conjunction with the first-order constitutive laws, the two-century old so-called Navier-Stokes-Fourier (NSF) equation based on a critical assumption made by Stokes in 1845 that the bulk viscosity vanishes. While the Stokes' assumption is certainly legitimate in the case of dilute monatomic gases, ever increasing evidences, however, now indicate that such is not the case, in particular, in the case of polyatomic gases-like nitrogen and carbon dioxide-far-from local thermal equilibrium. It should be noted that, from room temperature acoustic attenuation data, the bulk viscosity for carbon dioxide is three orders of magnitude larger than its shear viscosity. In this study, this fundamental issue in compressible gas dynamics is revisited and the second-order constitutive laws are derived by starting from the Boltzmann-Curtiss kinetic equation. Then the topology of the second-order nonlinear coupled constitutive relations in phase space is investigated. Finally, the shock-vortex interaction problem where the strong interaction of two important thermal (translational and rotational) non-equilibrium phenomena occurs is considered in order to highlight the rotational non-equilibrium effects in polyatomic gases. This work was supported by the National Research Foundation of South Korea (NRF 2017-R1A2B2-007634).
Non-equilibrium QCD of high-energy multi-gluon dynamics
International Nuclear Information System (INIS)
A non-equilibrium QCD description of multiparticle dynamics in space-time is of both fundamental and phenomenological interest. Here the authors discusses an attempt to derive from first principles, a real-time formalism to study the dynamical interplay of quantum and statistical-kinetic properties of non-equilibrium multi-parton systems produced in high-energy QCD processes. The ultimate goal (from which one is still far away) is to have a practically applicable description of the space-time evolution of a general initial system of gluons and quarks, characterized by some large energy or momentum scale, that expands, diffuses and dissipates according to the self- and mutual-interactions, and eventually converts dynamically into final state hadrons. For example, the evolution of parton showers in the mechanism of parton-hadron conversion in high-energy hadronic collisions, or, the description of formation, evolution and freezeout of a quark-gluon plasma, in ultra-relativistic heavy-ion collisions
Garny, M.; Hohenegger, A.; Kartavtsev, A.; Lindner, M.
2009-12-01
The generation of a baryon asymmetry via leptogenesis is usually studied by means of classical kinetic equations whose applicability to processes in the hot and expanding early universe is questionable. The approximations implied by the state-of-the-art description can be tested in a first-principle approach based on nonequilibrium field theory techniques. Here, we apply the Schwinger-Keldysh/Kadanoff-Baym formalism to a simple toy model of leptogenesis. We find that, within the toy model, medium effects increase the vertex contribution to the CP-violating parameter. At high temperatures it is a few times larger than in vacuum and asymptotically reaches the vacuum value as the temperature decreases. Contrary to the results obtained earlier in the framework of thermal field theory, the corrections are only linear in the particle number densities. An important feature of the Kadanoff-Baym formalism is that it is free of the double-counting problem, i.e. no need for real intermediate state subtraction arises. In particular, this means that the structure of the equations automatically ensures that the asymmetry vanishes in equilibrium. These results give a first glimpse into a number of new and interesting effects that can be studied in the framework of nonequilibrium field theory.
Critical behavior of the Ising model on random fractals.
Monceau, Pascal
2011-11-01
We study the critical behavior of the Ising model in the case of quenched disorder constrained by fractality on random Sierpinski fractals with a Hausdorff dimension d(f) is approximately equal to 1.8928. This is a first attempt to study a situation between the borderline cases of deterministic self-similarity and quenched randomness. Intensive Monte Carlo simulations were carried out. Scaling corrections are much weaker than in the deterministic cases, so that our results enable us to ensure that finite-size scaling holds, and that the critical behavior is described by a new universality class. The hyperscaling relation is compatible with an effective dimension equal to the Hausdorff one; moreover the two eigenvalues exponents of the renormalization flows are shown to be different from the ones calculated from ε expansions, and from the ones obtained for fourfold symmetric deterministic fractals. Although the space dimensionality is not integer, lack of self-averaging properties exhibits some features very close to the ones of a random fixed point associated with a relevant disorder.
Reconstructing the Hopfield network as an inverse Ising problem
International Nuclear Information System (INIS)
Huang Haiping
2010-01-01
We test four fast mean-field-type algorithms on Hopfield networks as an inverse Ising problem. The equilibrium behavior of Hopfield networks is simulated through Glauber dynamics. In the low-temperature regime, the simulated annealing technique is adopted. Although performances of these network reconstruction algorithms on the simulated network of spiking neurons are extensively studied recently, the analysis of Hopfield networks is lacking so far. For the Hopfield network, we found that, in the retrieval phase favored when the network wants to memory one of stored patterns, all the reconstruction algorithms fail to extract interactions within a desired accuracy, and the same failure occurs in the spin-glass phase where spurious minima show up, while in the paramagnetic phase, albeit unfavored during the retrieval dynamics, the algorithms work well to reconstruct the network itself. This implies that, as an inverse problem, the paramagnetic phase is conversely useful for reconstructing the network while the retrieval phase loses all the information about interactions in the network except for the case where only one pattern is stored. The performances of algorithms are studied with respect to the system size, memory load, and temperature; sample-to-sample fluctuations are also considered.
Microscopic energy flows in disordered Ising spin systems
International Nuclear Information System (INIS)
Agliari, E; Casartelli, M; Vezzani, A
2010-01-01
An efficient microcanonical dynamics has been recently introduced for Ising spin models embedded in a generic connected graph even in the presence of disorder, i.e. with the spin couplings chosen from a random distribution. Such a dynamics allows a coherent definition of local temperatures also when open boundaries are coupled to thermostats, imposing an energy flow. Within this framework, here we introduce a consistent definition for local energy currents and we study their dependence on the disorder. In the linear response regime, when the global gradient between thermostats is small, we also define local conductivities following a Fourier discretized picture. Then, we work out a linearized 'mean-field approximation', where local conductivities are supposed to depend on local couplings and temperatures only. We compare the approximated currents with the exact results of the nonlinear system, showing the reliability range of the mean-field approach, which proves very good at high temperatures and not so efficient in the critical region. In the numerical studies we focus on the disordered cylinder but our results could be extended to an arbitrary, disordered spin model on generic discrete structures
Reconstructing the Hopfield network as an inverse Ising problem
Huang, Haiping
2010-03-01
We test four fast mean-field-type algorithms on Hopfield networks as an inverse Ising problem. The equilibrium behavior of Hopfield networks is simulated through Glauber dynamics. In the low-temperature regime, the simulated annealing technique is adopted. Although performances of these network reconstruction algorithms on the simulated network of spiking neurons are extensively studied recently, the analysis of Hopfield networks is lacking so far. For the Hopfield network, we found that, in the retrieval phase favored when the network wants to memory one of stored patterns, all the reconstruction algorithms fail to extract interactions within a desired accuracy, and the same failure occurs in the spin-glass phase where spurious minima show up, while in the paramagnetic phase, albeit unfavored during the retrieval dynamics, the algorithms work well to reconstruct the network itself. This implies that, as an inverse problem, the paramagnetic phase is conversely useful for reconstructing the network while the retrieval phase loses all the information about interactions in the network except for the case where only one pattern is stored. The performances of algorithms are studied with respect to the system size, memory load, and temperature; sample-to-sample fluctuations are also considered.
Fusco, L.; Pigeon, S.; Apollaro, T. J. G.; Xuereb, A.; Mazzola, L.; Campisi, M.; Ferraro, A.; Paternostro, M.; De Chiara, G.
2014-07-01
We analyze the nature of the statistics of the work done on or by a quantum many-body system brought out of equilibrium. We show that, for the sudden quench and for an initial state that commutes with the initial Hamiltonian, it is possible to retrieve the whole nonequilibrium thermodynamics via single projective measurements of observables. We highlight, in a physically clear way, the qualitative implications for the statistics of work coming from considering processes described by operators that either commute or do not commute with the unperturbed Hamiltonian of a given system. We consider a quantum many-body system and derive an expression that allows us to give a physical interpretation, for a thermal initial state, to all of the cumulants of the work in the case of quenched operators commuting with the unperturbed Hamiltonian. In the commuting case, the observables that we need to measure have an intuitive physical meaning. Conversely, in the noncommuting case, we show that, although it is possible to operate fully within the single-measurement framework irrespectively of the size of the quench, some difficulties are faced in providing a clear-cut physical interpretation to the cumulants. This circumstance makes the study of the physics of the system nontrivial and highlights the nonintuitive phenomenology of the emergence of thermodynamics from the fully quantum microscopic description. We illustrate our ideas with the example of the Ising model in a transverse field showing the interesting behavior of the high-order statistical moments of the work distribution for a generic thermal state and linking them to the critical nature of the model itself.
Nonequilibrium landscape theory of neural networks
Yan, Han; Zhao, Lei; Hu, Liang; Wang, Xidi; Wang, Erkang; Wang, Jin
2013-01-01
The brain map project aims to map out the neuron connections of the human brain. Even with all of the wirings mapped out, the global and physical understandings of the function and behavior are still challenging. Hopfield quantified the learning and memory process of symmetrically connected neural networks globally through equilibrium energy. The energy basins of attractions represent memories, and the memory retrieval dynamics is determined by the energy gradient. However, the realistic neural networks are asymmetrically connected, and oscillations cannot emerge from symmetric neural networks. Here, we developed a nonequilibrium landscape–flux theory for realistic asymmetrically connected neural networks. We uncovered the underlying potential landscape and the associated Lyapunov function for quantifying the global stability and function. We found the dynamics and oscillations in human brains responsible for cognitive processes and physiological rhythm regulations are determined not only by the landscape gradient but also by the flux. We found that the flux is closely related to the degrees of the asymmetric connections in neural networks and is the origin of the neural oscillations. The neural oscillation landscape shows a closed-ring attractor topology. The landscape gradient attracts the network down to the ring. The flux is responsible for coherent oscillations on the ring. We suggest the flux may provide the driving force for associations among memories. We applied our theory to rapid-eye movement sleep cycle. We identified the key regulation factors for function through global sensitivity analysis of landscape topography against wirings, which are in good agreements with experiments. PMID:24145451
Nonequilibrium in a low power arcjet nozzle
Zube, Dieter M.; Myers, Roger M.
1991-01-01
Emission spectroscopy measurements were made of the plasma flow inside the nozzle of a 1 kW class arcjet thruster. The thruster propellant was a hydrogen-nitrogen mixture used to simulate fully decomposed hydrazine. The 0.25 mm diameter holes were drilled into the diverging section of the tungsten thruster nozzle to provide optical access to the internal flow. Atomic electron excitation, vibrational, and rotational temperatures were determined for the expanding plasma using relative line intensity techniques. The atomic excitation temperatures decreased from 18,000K at a location 3 mm downstream of the constrictor to 9,000K at a location 9 mm from the constrictor, while the molecular vibrational and rotational temperatures decreased from 6,500K to 2,500K and from 8,000K to 3,000K, respectively, between the same locations. The electron density measured using hydrogen H line Stark broadening decreased from about 10(exp 15) cm(-3) to about 2 times 10(exp 14) cm(-3) during the expansion. The results show that the plasma is highly nonequilibrium throughout the nozzle, with most relaxation times equal or exceeding the particle residence time.
Gibbsian Stationary Non-equilibrium States
De Carlo, Leonardo; Gabrielli, Davide
2017-09-01
We study the structure of stationary non-equilibrium states for interacting particle systems from a microscopic viewpoint. In particular we discuss two different discrete geometric constructions. We apply both of them to determine non reversible transition rates corresponding to a fixed invariant measure. The first one uses the equivalence of this problem with the construction of divergence free flows on the transition graph. Since divergence free flows are characterized by cyclic decompositions we can generate families of models from elementary cycles on the configuration space. The second construction is a functional discrete Hodge decomposition for translational covariant discrete vector fields. According to this, for example, the instantaneous current of any interacting particle system on a finite torus can be canonically decomposed in a gradient part, a circulation term and an harmonic component. All the three components are associated with functions on the configuration space. This decomposition is unique and constructive. The stationary condition can be interpreted as an orthogonality condition with respect to an harmonic discrete vector field and we use this decomposition to construct models having a fixed invariant measure.
Stress-induced non-equilibrium grain boundary segregation of phosphorus in a Cr-Mo low alloy steel
International Nuclear Information System (INIS)
Song, S.-H.; Wu, J.; Wang, D.-Y.; Weng, L.-Q.; Zheng, L.
2006-01-01
Grain boundary segregation of phosphorus under a 40 MPa tensile stress at 520 deg. C in a 0.025 wt.% P-doped 2.25Cr1Mo steel, which has already been thermally equilibrated, is examined using Auger electron spectroscopy. The segregation of phosphorus during stress-ageing has a non-equilibrium characteristic, i.e. it is non-equilibrium segregation. The segregation level first increases with increasing stress-ageing time until about 0.5 h and then diminishes with further increasing stress-ageing time, leading the boundary concentration of phosphorus to return to its thermal equilibrium value after ageing for about 15 h. Therefore, the critical time for this non-equilibrium grain boundary segregation of phosphorus is about 0.5 h at which the segregation is peaked. At this critical time, the boundary concentration of phosphorus is about 20.5 at.%, which is about 4.5 at.% higher than its thermal equilibrium level. Xu's kinetic model for stress-induced grain boundary segregation [T.D. Xu, Philos. Mag. 83 (2003) 889-899; T.D. Xu, B.-Y. Cheng, Prog. Mater. Sci. 49 (2) (2004) 109-208] is used to analyse the experimental results, demonstrating that the measured data may be well simulated by the model
Indian Academy of Sciences (India)
Collapse of a Bose gas: Kinetic approach ... Thermodynamical, statistical and static properties of condensates; Ultracold and trapped gases; matter waves. ... of a harmonically trapped attractively interacting Bose gas below the condensation point by introducing a kinetic approach within the Hartee-Fock approximation.
Modelling and simulation of equilibrium and non-equilibrium solidification in laser spot welding
Reddy, Pradeep; Patel, Virendra; Yadav, Anshul; Patel, Sushil; Kumar, Arvind
2018-02-01
In this work, rapid solidification in laser welding is studied by solving transient, coupled, governing equations of mass, momentum and energy conservation using a fixed-grid, finite volume methodology. The solidification process in laser welding occurs with high cooling rates involving rapid solidification kinetics. The non-equilibrium phase change is accounted at the solid-liquid interface of the weld pool and it is assumed that heterogeneous nucleation occurs instantaneously when the temperature in the melt pool reaches the nucleation temperature. Simulation results of laser welding with undercooling and without undercooling are compared. It is found that the melt pool width is larger in the case of undercooling case, however, the maximum temperature in the weld pool is higher in the case of without undercooling case.
Morphological instability of a non-equilibrium ice-colloid interface
Peppin, S. S. L.
2009-10-02
We assess the morphological stability of a non-equilibrium ice-colloidal suspension interface, and apply the theory to bentonite clay. An experimentally convenient scaling is employed that takes advantage of the vanishing segregation coefficient at low freezing velocities, and when anisotropic kinetic effects are included, the interface is shown to be unstable to travelling waves. The potential for travelling-wave modes reveals a possible mechanism for the polygonal and spiral ice lenses observed in frozen clays. A weakly nonlinear analysis yields a long-wave evolution equation for the interface shape containing a new parameter related to the highly nonlinear liquidus curve in colloidal systems. We discuss the implications of these results for the frost susceptibility of soils and the fabrication of microtailored porous materials. © 2009 The Royal Society.
Models of fluidized granular materials: examples of non-equilibrium stationary states
Energy Technology Data Exchange (ETDEWEB)
Puglisi, Andrea [Laboratoire de Physique Theorique Batiment 210, Universite de Paris-Sud, 91405 Orsay Cedex (France); Cecconi, Fabio [INFM Center for Statistical Mechanics and Complexity and Dipartimento di Fisica, Universita ' La Sapienza' , Piazzale A Moro 2, I-00185 Rome (Italy); Vulpiani, Angelo [Dipartimento di Fisica, Universita ' La Sapienza' , INFM Center for Statistical Mechanics and Complexity (SMC), INFN Sezione di Roma-1 ' La Sapienza' , Piazzale A Moro 2, I-00185, Rome (Italy)
2005-06-22
We review some models of granular materials fluidized by means of external forces, such as random homogeneous forcing with damping, vibrating plates, flow in an inclined channel and flow in a double well potential. All these systems show the presence of density correlations and non-Gaussian velocity distributions. These models are useful in understanding the role of a kinetically defined 'temperature' (in this case the so-called granular temperature) in a non-equilibrium stationary state. In the homogeneously randomly driven gas the granular temperature is different from that of the driving bath. Moreover, two different granular materials mixed together may stay in a stationary state with different temperatures. At the same time, the granular temperature determines (as in equilibrium systems) the escape time in a double well potential.
Directory of Open Access Journals (Sweden)
A.I.Sokolovsky
2006-01-01
Full Text Available A complete theory for investigation of time correlation functions is developed on the basis of the Bogolyubov reduced description method proceeding from his functional hypothesis. The problem of convergence in the theory of nonequilibrium processes and its relation to the non-analytic dependence of basic values of the theory on a small parameter of the perturbation theory are discussed. A natural regularization of integral equations of the theory is proposed. In the framework of a model of slow variables (hydrodynamics of a fluid, kinetics of a gas a generalized perturbation theory without divergencies is constructed corresponding to a partial summation in a usual perturbation theory. Properties of Green functions are discussed on the basis of resolvent formalism for the Liouville operator. A generalized Ernst and Dorfman theory is elaborated allowing to study the peculiarities of correlation and Green functions and to solve the convergence problem in the reduced description method.
Nonequilibrium absorption in semiconductors and the dynamical Franz-Keldysh effect
DEFF Research Database (Denmark)
Johnsen, Kristinn; Jauho, Antti-Pekka
1997-01-01
systems. Modulation above the band gap is weak in the 3D case but considerable fine structure is predicted for 1D and 2D systems. A characteristic feature of the dynamical Franz-Keldysh effect is that the absorption edge will be shifted up by an amount corresponding to the average kinetic energy......We theoretically study free electron light absorption for a sample which is placed in a strong, time-dependent uniform electric field. In the case of static fields one observes the Franz-Keldysh effect: finite absorption for photon energies below the band gap. We refer to this phenomenon...... as the Franz-Keldysh tail. Modulation of the spectra above the band gap is also found. These static effects are observed in both 3D, 2D and 1D systems. Our analysis, based on nonequilibrium Green function techniques, shows that an analogous effect takes place in time-dependent fields: the dynamical Franz...
International Nuclear Information System (INIS)
Swart, C.A.M. de.
1983-01-01
The author has studied the kinetics of heparin and heparin fractions after intravenous administration in humans and in this thesis the results of this study are reported. Basic knowledge about the physico-chemical properties of heparin and its interactions with proteins resulting in anticoagulant and lipolytic effects are discussed in a review (chapter II), which also comprises some clinical aspects of heparin therapy. In chapter III the kinetics of the anticoagulant effect are described after intravenous administration of five commercial heparin preparations. A mathematical model is presented that fits best to these kinetics. The kinetics of the anticoagulant and lipolytic effects after intravenous injection of various 35 S-radiolabelled heparin fractions and their relationship with the disappearance of the radiolabel are described in chapter IV. Chapter V gives a description of the kinetics of two radiolabels after injection of in vitro formed complexes consisting of purified, 125 I-radiolabelled antithrombin III and various 35 S-radiolabelled heparin fractions. (Auth.)
Kinetic theory for interacting Luttinger liquids
Buchhold, Michael; Diehl, Sebastian
2015-10-01
We derive a closed set of equations for the kinetics and non-equilibrium dynamics of interacting Luttinger Liquids with cubic resonant interactions. In the presence of these interactions, the Luttinger phonons become dressed but still well defined quasi-particles, characterized by a life-time much larger then the inverse energy. This enables the separation of forward time dynamics and relative time dynamics into slow and fast dynamics and justifies the so-called Wigner approximation, which can be seen as a "local-time approximation" for the relative dynamics. Applying field theoretical methods in the Keldysh framework, i.e. kinetic and Dyson-Schwinger equations, we derive a closed set of dynamic equations, describing the kinetics of normal and anomalous phonon densities, the phonon self-energy and vertex corrections for a Gaussian non-equilibrium initial state. In the limit of low phonon densities, the results from self-consistent Born approximation are recaptured, including Andreev's scaling solution for the quasi-particle life-time in a thermal state. As an application, we compute the relaxation of an excited state to its thermal equilibrium. While the intermediate time dynamics displays exponentially fast relaxation, the last stages of thermalization are governed by algebraic laws. This can be traced back to the importance of energy and momentum conservation at the longest times, which gives rise to dynamical slow modes.
A constitutive rheological model for agglomerating blood derived from nonequilibrium thermodynamics
Tsimouri, Ioanna Ch.; Stephanou, Pavlos S.; Mavrantzas, Vlasis G.
2018-03-01
Red blood cells tend to aggregate in the presence of plasma proteins, forming structures known as rouleaux. Here, we derive a constitutive rheological model for human blood which accounts for the formation and dissociation of rouleaux using the generalized bracket formulation of nonequilibrium thermodynamics. Similar to the model derived by Owens and co-workers ["A non-homogeneous constitutive model for human blood. Part 1. Model derivation and steady flow," J. Fluid Mech. 617, 327-354 (2008)] through polymer network theory, each rouleau in our model is represented as a dumbbell; the corresponding structural variable is the conformation tensor of the dumbbell. The kinetics of rouleau formation and dissociation is treated as in the work of Germann et al. ["Nonequilibrium thermodynamic modeling of the structure and rheology of concentrated wormlike micellar solutions," J. Non-Newton. Fluid Mech. 196, 51-57 (2013)] by assuming a set of reversible reactions, each characterized by a forward and a reverse rate constant. The final set of evolution equations for the microstructure of each rouleau and the expression for the stress tensor turn out to be very similar to those of Owens and co-workers. However, by explicitly considering a mechanism for the formation and breakage of rouleaux, our model further provides expressions for the aggregation and disaggregation rates appearing in the final transport equations, which in the kinetic theory-based network model of Owens were absent and had to be specified separately. Despite this, the two models are found to provide similar descriptions of experimental data on the size distribution of rouleaux.
Exact solutions for Ising-model correlations in the 3-12 (extended kagome´) lattice
Barry, J. H.; Khatun, M.
1995-03-01
The 3-12 (or extended kagomé) lattice is a three-coordinated irregular planar lattice having physical applications. Viewing its sites as the decoration sites of a doubly decorated honeycomb lattice, one proves via local star-triangle and double decoration-decimation transformations that 3-12 Ising correlations can be conveniently represented as linear combinations of honeycomb Ising correlations. Existent knowledge of all honeycomb Ising correlations upon a select (spatially compact) 10-site cluster is thus sufficient to determine all 3-12 Ising correlations upon an associated 18-site cluster. The total number of 3-12 Ising correlations defined upon this 18-site cluster is exceedingly large, but their actual count is less significant than the realization that each can now be found in a systematic and efficient fashion. Examples of resulting exact solutions for both even- and odd-number multisite correlations of the 3-12 Ising ferromagnet are presented at all temperatures. A simple scaling relationship is established between the asymptotic forms of the pair correlation in the 3-12 and honeycomb Ising models. Besides providing relatively direct derivations (no explicit magnetic fields or field derivatives) for the spontaneous magnetization and internal energy of the 3-12 Ising model, the mapping methods may be repeated recursively to secure Ising multisite correlations upon various other irregular planar lattices.
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Z Jalali mola
2011-12-01
Full Text Available The Ising model is one of the simplest models describing the interacting particles. In this work, we calculate the high temperature series expansions of zero field susceptibility of ising model with ferromagnetic, antiferromagnetic and one antiferromagnetic interactions on two dimensional kagome lattice. Using the Pade´ approximation, we calculate the susceptibility of critical exponent of ferromagnetic ising model γ ≈ 1.75, which is consistent with universality hypothesis. However, antiferromagnetic and one antiferromagnetic interaction ising model doesn’t show any transition at finite temperature because of the effect of magnetic frustration.
Bimodal and Gaussian Ising spin glasses in dimension two
Lundow, P. H.; Campbell, I. A.
2016-02-01
An analysis is given of numerical simulation data to size L =128 on the archetype square lattice Ising spin glasses (ISGs) with bimodal (±J ) and Gaussian interaction distributions. It is well established that the ordering temperature of both models is zero. The Gaussian model has a nondegenerate ground state and thus a critical exponent η ≡0 , and a continuous distribution of energy levels. For the bimodal model, above a size-dependent crossover temperature T*(L ) there is a regime of effectively continuous energy levels; below T*(L ) there is a distinct regime dominated by the highly degenerate ground state plus an energy gap to the excited states. T*(L ) tends to zero at very large L , leaving only the effectively continuous regime in the thermodynamic limit. The simulation data on both models are analyzed with the conventional scaling variable t =T and with a scaling variable τb=T2/(1 +T2) suitable for zero-temperature transition ISGs, together with appropriate scaling expressions. The data for the temperature dependence of the reduced susceptibility χ (τb,L ) and second moment correlation length ξ (τb,L ) in the thermodynamic limit regime are extrapolated to the τb=0 critical limit. The Gaussian critical exponent estimates from the simulations, η =0 and ν =3.55 (5 ) , are in full agreement with the well-established values in the literature. The bimodal critical exponents, estimated from the thermodynamic limit regime analyses using the same extrapolation protocols as for the Gaussian model, are η =0.20 (2 ) and ν =4.8 (3 ) , distinctly different from the Gaussian critical exponents.
Kinetic theory of two-temperature polyatomic plasmas
Orlac'h, Jean-Maxime; Giovangigli, Vincent; Novikova, Tatiana; Roca i Cabarrocas, Pere
2018-03-01
We investigate the kinetic theory of two-temperature plasmas for reactive polyatomic gas mixtures. The Knudsen number is taken proportional to the square root of the mass ratio between electrons and heavy-species, and thermal non-equilibrium between electrons and heavy species is allowed. The kinetic non-equilibrium framework also requires a weak coupling between electrons and internal energy modes of heavy species. The zeroth-order and first-order fluid equations are derived by using a generalized Chapman-Enskog method. Expressions for transport fluxes are obtained in terms of macroscopic variable gradients and the corresponding transport coefficients are expressed as bracket products of species perturbed distribution functions. The theory derived in this paper provides a consistent fluid model for non-thermal multicomponent plasmas.
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
Role of non-equilibrium conformations on driven polymer translocation.
Katkar, H H; Muthukumar, M
2018-01-14
One of the major theoretical methods in understanding polymer translocation through a nanopore is the Fokker-Planck formalism based on the assumption of quasi-equilibrium of polymer conformations. The criterion for applicability of the quasi-equilibrium approximation for polymer translocation is that the average translocation time per Kuhn segment, ⟨τ⟩/N K , is longer than the relaxation time τ 0 of the polymer. Toward an understanding of conditions that would satisfy this criterion, we have performed coarse-grained three dimensional Langevin dynamics and multi-particle collision dynamics simulations. We have studied the role of initial conformations of a polyelectrolyte chain (which were artificially generated with a flow field) on the kinetics of its translocation across a nanopore under the action of an externally applied transmembrane voltage V (in the absence of the initial flow field). Stretched (out-of-equilibrium) polyelectrolyte chain conformations are deliberately and systematically generated and used as initial conformations in translocation simulations. Independent simulations are performed to study the relaxation behavior of these stretched chains, and a comparison is made between the relaxation time scale and the mean translocation time (⟨τ⟩). For such artificially stretched initial states, ⟨τ⟩/N K equilibrium approximation. Nevertheless, we observe a scaling of ⟨τ⟩ ∼ 1/V over the entire range of chain stretching studied, in agreement with the predictions of the Fokker-Planck model. On the other hand, for realistic situations where the initial artificially imposed flow field is absent, a comparison of experimental data reported in the literature with the theory of polyelectrolyte dynamics reveals that the Zimm relaxation time (τ Zimm ) is shorter than the mean translocation time for several polymers including single stranded DNA (ssDNA), double stranded DNA (dsDNA), and synthetic polymers. Even when these data are rescaled
Inferring structural connectivity using Ising couplings in models of neuronal networks.
Kadirvelu, Balasundaram; Hayashi, Yoshikatsu; Nasuto, Slawomir J
2017-08-15
Functional connectivity metrics have been widely used to infer the underlying structural connectivity in neuronal networks. Maximum entropy based Ising models have been suggested to discount the effect of indirect interactions and give good results in inferring the true anatomical connections. However, no benchmarking is currently available to assess the performance of Ising couplings against other functional connectivity metrics in the microscopic scale of neuronal networks through a wide set of network conditions and network structures. In this paper, we study the performance of the Ising model couplings to infer the synaptic connectivity in in silico networks of neurons and compare its performance against partial and cross-correlations for different correlation levels, firing rates, network sizes, network densities, and topologies. Our results show that the relative performance amongst the three functional connectivity metrics depends primarily on the network correlation levels. Ising couplings detected the most structural links at very weak network correlation levels, and partial correlations outperformed Ising couplings and cross-correlations at strong correlation levels. The result was consistent across varying firing rates, network sizes, and topologies. The findings of this paper serve as a guide in choosing the right functional connectivity tool to reconstruct the structural connectivity.
Emergent Ising degrees of freedom above a double-stripe magnetic ground state
Zhang, Guanghua; Flint, Rebecca
2017-12-01
Double-stripe magnetism [Q =(π /2 ,π /2 )] has been proposed as the magnetic ground state for both the iron-telluride and BaTi2Sb2O families of superconductors. Double-stripe order is captured within a J1-J2-J3 Heisenberg model in the regime J3≫J2≫J1 . Intriguingly, besides breaking spin-rotational symmetry, the ground-state manifold has three additional Ising degrees of freedom associated with bond ordering. Via their coupling to the lattice, they give rise to an orthorhombic distortion and to two nonuniform lattice distortions with wave vector (π ,π ) . Because the ground state is fourfold degenerate, modulo rotations in spin space, only two of these Ising bond order parameters are independent. Here, we introduce an effective field theory to treat all Ising order parameters, as well as magnetic order, and solve it within a large-N limit. All three transitions, corresponding to the condensations of two Ising bond order parameters and one magnetic order parameter are simultaneous and first order in three dimensions, but lower dimensionality, or equivalently weaker interlayer coupling, and weaker magnetoelastic coupling can split the three transitions, and in some cases allows for two separate Ising phase transitions above the magnetic one.
Investigation of binary solid phases by calorimetry and kinetic modelling
Matovic, M.
2007-01-01
The traditional methods for the determination of liquid-solid phase diagrams are based on the assumption that the overall equilibrium is established between the phases. However, the result of the crystallization of a liquid mixture will typically be a non-equilibrium or metastable state of the solid. For a proper description of the crystallization process the equilibrium approach is insufficient and a kinetic approach is actually required. In this work, we show that during slow crystallizatio...
Qorbani, Khadijeh; Kvamme, Bjørn
2016-04-01
Natural gas hydrates (NGHs) in nature are formed from various hydrate formers (i.e. aqueous, gas, and adsorbed phases). As a result, due to Gibbs phase rule and the combined first and second laws of thermodynamics CH4-hydrate cannot reach thermodynamic equilibrium in real reservoir conditions. CH4 is the dominant component in NGH reservoirs. It is formed as a result of biogenic degradation of biological material in the upper few hundred meters of subsurface. It has been estimated that the amount of fuel-gas reserve in NGHs exceed the total amount of fossil fuel explored until today. Thus, these reservoirs have the potential to satisfy the energy requirements of the future. However, released CH4 from dissociated NGHs could find its way to the atmosphere and it is a far more aggressive greenhouse gas than CO2, even though its life-time is shorter. Lack of reliable field data makes it difficult to predict the production potential, as well as safety of CH4 production from NGHs. Computer simulations can be used as a tool to investigate CH4 production through different scenarios. Most hydrate simulators within academia and industry treat hydrate phase transitions as an equilibrium process and those which employ the kinetic approach utilize simple laboratory data in their models. Furthermore, it is typical to utilize a limited thermodynamic description where only temperature and pressure projections are considered. Another widely used simplification is to assume only a single route for the hydrate phase transitions. The non-equilibrium nature of hydrate indicates a need for proper kinetic models to describe hydrate dissociation and reformation in the reservoir with respect to thermodynamics variables, CH4 mole-fraction, pressure and temperature. The RetrasoCodeBright (RCB) hydrate simulator has previously been extended to model CH4-hydrate dissociation towards CH4 gas and water. CH4-hydrate is added to the RCB data-base as a pseudo mineral. Phase transitions are treated
Bose, Deepak
2012-01-01
The design of entry vehicles requires predictions of aerothermal environment during the hypersonic phase of their flight trajectories. These predictions are made using computational fluid dynamics (CFD) codes that often rely on physics and chemistry models of nonequilibrium processes. The primary processes of interest are gas phase chemistry, internal energy relaxation, electronic excitation, nonequilibrium emission and absorption of radiation, and gas-surface interaction leading to surface recession and catalytic recombination. NASAs Hypersonics Project is advancing the state-of-the-art in modeling of nonequilibrium phenomena by making detailed spectroscopic measurements in shock tube and arcjets, using ab-initio quantum mechanical techniques develop fundamental chemistry and spectroscopic databases, making fundamental measurements of finite-rate gas surface interactions, implementing of detailed mechanisms in the state-of-the-art CFD codes, The development of new models is based on validation with relevant experiments. We will present the latest developments and a roadmap for the technical areas mentioned above
Work fluctuation and total entropy production in nonequilibrium processes.
Funo, Ken; Shitara, Tomohiro; Ueda, Masahito
2016-12-01
Work fluctuation and total entropy production play crucial roles in small thermodynamic systems subject to large thermal fluctuations. We investigate a trade-off relation between them in a nonequilibrium situation in which a system starts from an arbitrary nonequilibrium state. We apply a variational method to study this problem and find a stationary solution against variations over protocols that describe the time dependence of the Hamiltonian of the system. Using the stationary solution, we find the minimum of the total entropy production for a given amount of work fluctuation. An explicit protocol that achieves this is constructed from an adiabatic process followed by a quasistatic process. The obtained results suggest how one can control the nonequilibrium dynamics of the system while suppressing its work fluctuation and total entropy production.
Nonequilibrium Dynamical Mean-Field Theory for Bosonic Lattice Models
Directory of Open Access Journals (Sweden)
Hugo U. R. Strand
2015-03-01
Full Text Available We develop the nonequilibrium extension of bosonic dynamical mean-field theory and a Nambu real-time strong-coupling perturbative impurity solver. In contrast to Gutzwiller mean-field theory and strong-coupling perturbative approaches, nonequilibrium bosonic dynamical mean-field theory captures not only dynamical transitions but also damping and thermalization effects at finite temperature. We apply the formalism to quenches in the Bose-Hubbard model, starting from both the normal and the Bose-condensed phases. Depending on the parameter regime, one observes qualitatively different dynamical properties, such as rapid thermalization, trapping in metastable superfluid or normal states, as well as long-lived or strongly damped amplitude oscillations. We summarize our results in nonequilibrium “phase diagrams” that map out the different dynamical regimes.
DEFF Research Database (Denmark)
2009-01-01
A kinetic interface for orientation detection in a video training system is disclosed. The interface includes a balance platform instrumented with inertial motion sensors. The interface engages a participant's sense of balance in training exercises.......A kinetic interface for orientation detection in a video training system is disclosed. The interface includes a balance platform instrumented with inertial motion sensors. The interface engages a participant's sense of balance in training exercises....
Chapman, Brian
2017-06-01
This paper seeks to develop a more thermodynamically sound pedagogy for students of biological transport than is currently available from either of the competing schools of linear non-equilibrium thermodynamics (LNET) or Michaelis-Menten kinetics (MMK). To this end, a minimal model of facilitated diffusion was constructed comprising four reversible steps: cis- substrate binding, cis → trans bound enzyme shuttling, trans -substrate dissociation and trans → cis free enzyme shuttling. All model parameters were subject to the second law constraint of the probability isotherm, which determined the unidirectional and net rates for each step and for the overall reaction through the law of mass action. Rapid equilibration scenarios require sensitive 'tuning' of the thermodynamic binding parameters to the equilibrium substrate concentration. All non-equilibrium scenarios show sigmoidal force-flux relations, with only a minority of cases having their quasi -linear portions close to equilibrium. Few cases fulfil the expectations of MMK relating reaction rates to enzyme saturation. This new approach illuminates and extends the concept of rate-limiting steps by focusing on the free energy dissipation associated with each reaction step and thereby deducing its respective relative chemical impedance. The crucial importance of an enzyme's being thermodynamically 'tuned' to its particular task, dependent on the cis- and trans- substrate concentrations with which it deals, is consistent with the occurrence of numerous isoforms for enzymes that transport a given substrate in physiologically different circumstances. This approach to kinetic modelling, being aligned with neither MMK nor LNET, is best described as intuitive non-equilibrium thermodynamics, and is recommended as a useful adjunct to the design and interpretation of experiments in biotransport.
Inviscid flux-splitting algorithms for real gases with non-equilibrium chemistry
Shuen, Jian-Shun; Liou, Meng-Sing; Van Leer, Bram
1990-01-01
Formulations of inviscid flux splitting algorithms for chemical nonequilibrium gases are presented. A chemical system for air dissociation and recombination is described. Numerical results for one-dimensional shock tube and nozzle flows of air in chemical nonequilibrium are examined.
Polychromatic Arm Exponents for the Critical Planar FK-Ising Model
Wu, Hao
2018-03-01
Schramm-Loewner evolution (SLE) is a one-parameter family of random planar curves introduced by Schramm in 1999 as the candidates for the scaling limits of the interfaces in the planar critical lattice models. This is the only possible process with conformal invariance and a certain "domain Markov property". In 2010, Chelkak and Smirnov proved the conformal invariance of the scaling limits of the critial planar FK-Ising model which gave the convergence of the interface to {SLE}_{16/3}. We derive the arm exponents of {SLE}_{κ } for κ \\in (4,8). Combining with the convergence of the interface, we derive the arm exponents of the critical FK-Ising model. We obtain six different patterns of boundary arm exponents and three different patterns of interior arm exponents of the critical planar FK-Ising model on the square lattice.
WEAK EFFICIENCY ON THE STOCK EXCHANGE MARKET: AN EMPIRICAL STUDY ON ISE
Directory of Open Access Journals (Sweden)
SİBEL DUMAN ATAN
2013-06-01
Full Text Available Markets which returns of share certificate are reflected completely whole information, describe as effective. In a weak-form efficiency market, all past price activity were reflected with current price and it isn’t obtaining an above the normal return to use with past price activity in markets. In this paper, we aim to provide the efficiency level of ISE market using fifteen minutes and session frequency data for the 03 January 2003 – 30 December 2005 period. In order to test the efficiency of ISE we use firstly ADF and KPSS unit root tests and secondly ELW fractionally integrated estimator developed by Shimotsu and Philips (2005. According to application we found that ISE is weakly efficient market.
On the Ising character of the quantum-phase transition in LiHoF4
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R. Skomski
2016-05-01
Full Text Available It is investigated how a transverse magnetic field affects the quantum-mechanical character of LiHoF4, a system generally considered as a textbook example for an Ising-like quantum-phase transition. In small magnetic fields, the low-temperature behavior of the ions is Ising-like, involving the nearly degenerate low-lying Jz = ± 8 doublet. However, as the transverse field increases, there is a substantial admixture of states having |Jz| < 8. Near the quantum-phase-transition field, the system is distinctively non-Ising like, and all Jz eigenstates yield ground-state contributions of comparable magnitude. A classical analog to this mechanism is the micromagnetic single point in magnets with uniaxial anisotropy. Since Ho3+ has J = 8, the ion’s behavior is reminiscent of the classical limit (J = ∞, but quantum corrections remain clearly visible.
Fang, Wen; Wang, Jun
2013-09-01
We develop a financial market model using an Ising spin system on a Sierpinski carpet lattice that breaks the equal status of each spin. To study the fluctuation behavior of the financial model, we present numerical research based on Monte Carlo simulation in conjunction with the statistical analysis and multifractal analysis of the financial time series. We extract the multifractal spectra by selecting various lattice size values of the Sierpinski carpet, and the inverse temperature of the Ising dynamic system. We also investigate the statistical fluctuation behavior, the time-varying volatility clustering, and the multifractality of returns for the indices SSE, SZSE, DJIA, IXIC, S&P500, HSI, N225, and for the simulation data derived from the Ising model on the Sierpinski carpet lattice. A numerical study of the model’s dynamical properties reveals that this financial model reproduces important features of the empirical data.
Volatility behavior of visibility graph EMD financial time series from Ising interacting system
Zhang, Bo; Wang, Jun; Fang, Wen
2015-08-01
A financial market dynamics model is developed and investigated by stochastic Ising system, where the Ising model is the most popular ferromagnetic model in statistical physics systems. Applying two graph based analysis and multiscale entropy method, we investigate and compare the statistical volatility behavior of return time series and the corresponding IMF series derived from the empirical mode decomposition (EMD) method. And the real stock market indices are considered to be comparatively studied with the simulation data of the proposed model. Further, we find that the degree distribution of visibility graph for the simulation series has the power law tails, and the assortative network exhibits the mixing pattern property. All these features are in agreement with the real market data, the research confirms that the financial model established by the Ising system is reasonable.
Nonequilibrium Energetics of Single Molecule Motor, Kinesin-1
Ariga, Takayuki; Tomishige, Michio; Mizuno, Daisuke
2018-02-01
Molecular motors are nonequilibrium open systems that convert chemical energy to mechanical work. Here we investigate the nonequilibrium energetics of a single molecule kinesin by measuring the motion of an attached probe particle and its response to external forces with optical tweezers. The sum of the heat dissipation estimated from the violation of the fluctuation-response relation and the output power was inconsistent with the input free energy rate, implying that internal dissipation is dominant. By using a two-state Markov model, we discuss the energy flow of the kinesin motor.
Generalization of the second law for a nonequilibrium initial state
Energy Technology Data Exchange (ETDEWEB)
Hasegawa, H.-H., E-mail: hhh@mx.ibaraki.ac.j [Department of Mathematical Sciences, Ibaraki University, Bunkyo, Mito 310-8512 (Japan); Ishikawa, J.; Takara, K. [Department of Mathematical Sciences, Ibaraki University, Bunkyo, Mito 310-8512 (Japan); Driebe, D.J. [Division of Math, Science and Technology, Nova Southeastern University, Fort Lauderdale, FL 33314 (United States)
2010-02-08
We generalize the second law of thermodynamics in its maximum work formulation for a nonequilibrium initial distribution. It is found that in an isothermal process, the Boltzmann relative entropy (H-function) is not just a Lyapunov function but also tells us the maximum work that may be gained from a nonequilibrium initial state. The generalized second law also gives a fundamental relation between work and information. It is valid even for a small Hamiltonian system not in contact with a heat reservoir but with an effective temperature determined by the isentropic condition. Our relation can be tested in the Szilard engine, which will be realized in the laboratory.
Imaginary-time formulation of strongly correlated nonequilibrium
Heary, Ryan Joseph
Strongly correlated nanostructures and lattices of electrons are studied when these systems reside in a steady-state nonequilibrium. Much of the work done to date has made use of the nonequilibrium real-time Keldysh Green function technique. These methods include: the Keldysh Green function perturbation theory, time-dependent numerical renormalization group, density matrix renormalization group, and diagrammatic quantum Monte Carlo. In the special case of steady-state nonequilibrium we construct an imaginary-time theory. The motivation to do this is simple: there exist an abundant number of well-established strongly correlated computational solvers for imaginary-time theory and perturbation theory on the imaginary-time contour is much more straightforward than that of the real-time contour. The first model system we focus on is a strongly interacting quantum dot situated between source and drain electron reservoirs. The steady-state nonequilibrium boundary condition is established by applying a voltage bias phi across the reservoirs, in turn modifying the chemical potentials of the leads. For a symmetric voltage drop we have mu source = phi/2 and mudrain = -phi/2. The dynamics of the electrons are governed by the Hamiltonian Ĥ which is inherently independent of the imbalance in the source and drain chemical potentials. The statistics though are determined by the operator Ĥ-Ŷ , where Ŷ imposes the nonequilibrium boundary condition. We show that it is possible to construct a single effective Hamiltonian K̂ able to describe both the dynamics and statistics of the system. Upon formulating the theory we explicitly show that it is consistent with the real-time Keldysh theory both formally and through an example using perturbation theory. In these systems there exists a strong interplay between the interactions and nonequilibrium leading to novel nonperturbative phenomena. Therefore, we combine our theory with the Hirsch-Fye quantum Monte Carlo algorithm to study
Nonequilibrium work energy relation for non-Hamiltonian dynamics.
Mandal, Dibyendu; DeWeese, Michael R
2016-04-01
Recent years have witnessed major advances in our understanding of nonequilibrium processes. The Jarzynski equality, for example, provides a link between equilibrium free energy differences and finite-time nonequilibrium dynamics. We propose a generalization of this relation to non-Hamiltonian dynamics, relevant for active matter systems, continuous feedback, and computer simulation. Surprisingly, this relation allows us to calculate the free energy difference between the desired initial and final equilibrium states using arbitrary dynamics. As a practical matter, this dissociation between the dynamics and the initial and final states promises to facilitate a range of techniques for free energy estimation in a single universal expression.
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.
Monte Carlo Simulations of Compressible Ising Models: Do We Understand Them?
Landau, D. P.; Dünweg, B.; Laradji, M.; Tavazza, F.; Adler, J.; Cannavaccioulo, L.; Zhu, X.
Extensive Monte Carlo simulations have begun to shed light on our understanding of phase transitions and universality classes for compressible Ising models. A comprehensive analysis of a Landau-Ginsburg-Wilson hamiltonian for systems with elastic degrees of freedom resulted in the prediction that there should be four distinct cases that would have different behavior, depending upon symmetries and thermodynamic constraints. We shall provide an account of the results of careful Monte Carlo simulations for a simple compressible Ising model that can be suitably modified so as to replicate all four cases.
Ground-state candidate for the classical dipolar kagome Ising antiferromagnet
Chioar, I. A.; Rougemaille, N.; Canals, B.
2016-06-01
We have investigated the low-temperature thermodynamic properties of the classical dipolar kagome Ising antiferromagnet using Monte Carlo simulations, in the quest for the ground-state manifold. In spite of the limitations of a single-spin-flip approach, we managed to identify certain ordering patterns in the low-temperature regime and we propose a candidate for this unknown state. This configuration presents some intriguing features and is fully compatible with the extrapolations of the at-equilibrium thermodynamic behavior sampled so far, making it a very likely choice for the dipolar long-range ordered state of the classical kagome Ising antiferromagnet.
Canonical vs. micro-canonical sampling methods in a 2D Ising model
International Nuclear Information System (INIS)
Kepner, J.
1990-12-01
Canonical and micro-canonical Monte Carlo algorithms were implemented on a 2D Ising model. Expressions for the internal energy, U, inverse temperature, Z, and specific heat, C, are given. These quantities were calculated over a range of temperature, lattice sizes, and time steps. Both algorithms accurately simulate the Ising model. To obtain greater than three decimal accuracy from the micro-canonical method requires that the more complicated expression for Z be used. The overall difference between the algorithms is small. The physics of the problem under study should be the deciding factor in determining which algorithm to use. 13 refs., 6 figs., 2 tabs
Probabilistic image processing by means of the Bethe approximation for the Q-Ising model
International Nuclear Information System (INIS)
Tanaka, Kazuyuki; Inoue, Jun-ichi; Titterington, D M
2003-01-01
The framework of Bayesian image restoration for multi-valued images by means of the Q-Ising model with nearest-neighbour interactions is presented. Hyperparameters in the probabilistic model are determined so as to maximize the marginal likelihood. A practical algorithm is described for multi-valued image restoration based on the Bethe approximation. The algorithm corresponds to loopy belief propagation in artificial intelligence. We conclude that, in real world grey-level images, the Q-Ising model can give us good results
Exact solutions to plaquette Ising models with free and periodic boundaries
Directory of Open Access Journals (Sweden)
Marco Mueller
2017-01-01
We clarify the exact relation between partition functions with free and periodic boundary conditions expressed in terms of original and product spin variables for the 2d plaquette and 3d fuki-nuke models, noting that the differences are already present in the 1d Ising model. In addition, we solve the 2d plaquette Ising model with helical boundary conditions. The various exactly solved examples illustrate how correlations can be induced in finite systems as a consequence of the choice of boundary conditions.
The Validity of Cost Stickiness in Turkey: A Panel Data Analysis in Istanbul Stock Exchange (ISE)
Celik, Muhsin; Kok, Dundar
2013-01-01
The goal of this study is to test the cost stickiness for some firms in Istanbul Stock Exchange (ISE) by panel data analysis. The study is based on 2023 observations of 119 firms whose stocks were in process uninterruptedly in the period of 1995-2011 in ISE. As a result of the study, it is proven that proportional increase in sales resulted in proportional increase in costs to some extent, but proportional decrease in sales resulted in less proportional decrease in costs when compared to the ...
Absence of Replica Symmetry Breaking in the Transverse and Longitudinal Random Field Ising Model
Itoi, C.
2018-02-01
It is proved that replica symmetry is not broken in the transverse and longitudinal random field Ising model. In this model, the variance of spin overlap of any component vanishes in any dimension almost everywhere in the coupling constant space in the infinite volume limit. The weak Fortuin-Kasteleyn-Ginibre property in this model and the Ghirlanda-Guerra identities in artificial models in a path integral representation based on the Lie-Trotter-Suzuki formula enable us to extend Chatterjee's proof for the random field Ising model to the quantum model.
Petrović, Z. Lj; Malović, G.; Tasić, M.; Nikitović, Ž.
2007-06-01
from many different standpoints. A special case of non-equilibrium is that of non-neutral plasmas, i.e. plasmas devoid of ions, as described in the lecture and paper by J Marler (Appleton, USA). Physics of swarms (the low space charge limit of ionized gases) is similar to the previous study in the fact that we may have only one group of charged particles electrons (or ions). But the difference is that the latter has a much higher pressure and therefore number of collisions. In the lecture on one aspect of the application of swarm data (transport coefficients) to determine the electron scattering cross sections R White (Townsville, Australia) addresses a long standing controversy in the vibrational excitation of H2 of an unacceptable discrepancy between swarm results and binary collision experiments and theories, (a problem that has been of particular importance to the host Laboratory). The lecture of N Dyatko (Troitsk, Russian Federation) tackles one of the most interesting recent problems in the transport theory of ionized gases, that of the negative absolute conductivity and attempts to translate it to solid state physics where the stakes are much higher. The swarm studies were always based on excellent experimental data and the leading experimental group today is that of J de Urquijo (Cuernavaca, Mexico) who presents a review of a wide range of transport data that his group obtained in fluorinated gases. The gas breakdown in dc and high frequency fields was addressed by M Radmilović-Rađenović (Belgrade, Serbia) by applying a detailed secondary electron production model in Particle in Cell (PIC) code and comparing the results to a broad range of experimental data. The hybrid (fluid-Monte Carlo) model has been applied in the study by Z Donko and K Kutasi (Budapest, Hungary) of low pressure obstructed glow discharges to decribe the effect of fast neutrals on gas discharges. A study of kinetics of negative ions of hydrogen in glow discharges with positive column and
Directory of Open Access Journals (Sweden)
Mojtaba Ahmadi
2016-11-01
Full Text Available The aqueous degradation of Reactive Yellow 84 (RY84 by potassium peroxydisulfate (K2S2O8 has been studied in laboratory scale experiments. The effect of the initial concentrations of potassium peroxydisulfate and RY84, pH and temperature on RY84 degradation were also examined. Experimental data were analyzed using first and second-order kinetics. The degradation kinetics of RY84 of the potassium peroxydisulfate process followed the second-order reaction kinetics. These rate constants have an extreme values similar to of 9.493 mM−1min−1 at a peroxydisulfate dose of 4 mmol/L. Thermodynamic parameters such as activation (Ea and Gibbs free energy (ΔG° were also evaluated. The negative value of ΔGo and Ea shows the spontaneous reaction natural conditions and exothermic nature.
Some recent developments in non-equilibrium statistical physics
Indian Academy of Sciences (India)
for molecular motors and the asymmetric exclusion process which is a basic example of a driven lattice gas. Keywords. Thermodynamics; non-equilibrium mechanics; Brownian motion; molecular motors; Gallavotti–Cohen fluctuation theorem; Jarzynski's work relation. PACS Nos 05.70.Ln; 05.40.-a; 87.16.Nn. 1. Introduction.
Conserving GW scheme for nonequilibrium quantum transport in molecular contacts
DEFF Research Database (Denmark)
Thygesen, Kristian Sommer; Rubio, Angel
2008-01-01
We give a detailed presentation of our recent scheme to include correlation effects in molecular transport calculations using the nonequilibrium Keldysh formalism. The scheme is general and can be used with any quasiparticle self-energy, but for practical reasons, we mainly specialize to the so-c...
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.
Canonical structure of dynamical fluctuations in mesoscopic nonequilibrium steady states
Czech Academy of Sciences Publication Activity Database
Maes, C.; Netočný, Karel
2008-01-01
Roč. 82, č. 3 (2008), 30003/1-30003/6 ISSN 0295-5075 R&D Projects: GA ČR GC202/07/J051 Institutional research plan: CEZ:AV0Z10100520 Keywords : nonequilibrium fluctuations * steady state * Onsager- Machlup theory Subject RIV: BE - Theoretical Physics Impact factor: 2.203, year: 2008
Fluctuations and large deviations in non-equilibrium systems
Indian Academy of Sciences (India)
a possible way of extending the notion of free energy to non-equilibrium systems. This large deviation function of the density can be calculated explicitly for exclusion models in one dimension with open boundary conditions. For these models, one can also obtain the distribution of the current of particles flowing through the ...
Nonequilibrium relaxation method – An alternative simulation strategy
Indian Academy of Sciences (India)
the results to infinite system. This equilibrium method traces over the standard theory of the thermal statistical mechanics, and over the idea of the thermodynamic limit. Recently, an alternative simulation strategy has been developed, which analyzes the nonequilibrium relaxation (NER) process. It is called the NER method.
Nonequilibrium Enhances Adaptation Efficiency of Stochastic Biochemical Systems.
Directory of Open Access Journals (Sweden)
Chen Jia
Full Text Available Adaptation is a crucial biological function possessed by many sensory systems. Early work has shown that some influential equilibrium models can achieve accurate adaptation. However, recent studies indicate that there are close relationships between adaptation and nonequilibrium. In this paper, we provide an explanation of these two seemingly contradictory results based on Markov models with relatively simple networks. We show that as the nonequilibrium driving becomes stronger, the system under consideration will undergo a phase transition along a fixed direction: from non-adaptation to simple adaptation then to oscillatory adaptation, while the transition in the opposite direction is forbidden. This indicates that although adaptation may be observed in equilibrium systems, it tends to occur in systems far away from equilibrium. In addition, we find that nonequilibrium will improve the performance of adaptation by enhancing the adaptation efficiency. All these results provide a deeper insight into the connection between adaptation and nonequilibrium. Finally, we use a more complicated network model of bacterial chemotaxis to validate the main results of this paper.
Fluctuations and large deviations in non-equilibrium systems
Indian Academy of Sciences (India)
For systems in contact with two reservoirs at different densities or with two thermostats at different temperatures, the large deviation function of the density gives a possible way of extending the notion of free energy to non-equilibrium systems. This large deviation function of the density can be calculated explicitly for ...
Principle of Entropy Maximization for Nonequilibrium Steady States
DEFF Research Database (Denmark)
Shapiro, Alexander; Stenby, Erling Halfdan
2002-01-01
The goal of this contribution is to find out to what extent the principle of entropy maximization, which serves as a basis for the equilibrium thermodynamics, may be generalized onto non-equilibrium steady states. We prove a theorem that, in the system of thermodynamic coordinates, where entropy...
Coherence enhanced quantum metrology in a nonequilibrium optical molecule
Wang, Zhihai; Wu, Wei; Cui, Guodong; Wang, Jin
2018-03-01
We explore the quantum metrology in an optical molecular system coupled to two environments with different temperatures, using a quantum master equation beyond secular approximation. We discover that the steady-state coherence originating from and sustained by the nonequilibrium condition can enhance quantum metrology. We also study the quantitative measures of the nonequilibrium condition in terms of the curl flux, heat current and entropy production at the steady state. They are found to grow with temperature difference. However, an apparent paradox arises considering the contrary behaviors of the steady-state coherence and the nonequilibrium measures in relation to the inter-cavity coupling strength. This paradox is resolved by decomposing the heat current into a population part and a coherence part. Only the latter, the coherence part of the heat current, is tightly connected to the steady-state coherence and behaves similarly with respect to the inter-cavity coupling strength. Interestingly, the coherence part of the heat current flows from the low-temperature reservoir to the high-temperature reservoir, opposite to the direction of the population heat current. Our work offers a viable way to enhance quantum metrology for open quantum systems through steady-state coherence sustained by the nonequilibrium condition, which can be controlled and manipulated to maximize its utility. The potential applications go beyond quantum metrology and extend to areas such as device designing, quantum computation and quantum technology in general.
D.C.-arc plasma generator for nonequilibrium plasmachemical processes
International Nuclear Information System (INIS)
Kvaltin, J.
1990-06-01
The analysis is made of the conditions for generation of nonequilibrium plasma in a plasmachemical reactor, and the design is described of a d.c. arc plasma generator based on the integral criterion. Results of measuring potentials on the plasma column of this generator are presented. (author)
Electron systems out of equilibrium: nonequilibrium Green's function approach
Czech Academy of Sciences Publication Activity Database
Špička, Václav; Velický, Bedřich; Kalvová, Anděla
2014-01-01
Roč. 28, č. 23 (2014), "1430013-1"-"1430013-103" ISSN 0217-9792 R&D Projects: GA ČR GAP204/12/0897 Institutional support: RVO:68378271 Keywords : nonequilibrium statistical physics * transients * quantum transport theory Subject RIV: BE - Theoretical Physics Impact factor: 0.937, year: 2014
Classical Orbital Paramagnetism in Non-equilibrium Steady State
Indian Academy of Sciences (India)
Avinash A. Deshpande
2017-09-12
Sep 12, 2017 ... Classical Orbital Paramagnetism in Non-equilibrium Steady State. AVINASH A. DESHPANDE. ∗ and N. KUMAR. Raman Research Institute, Bangalore 560 080, India. ∗. Corresponding author. E-mail: desh@rri.res.in. MS received 25 March 2017; accepted 31 July 2017; published online 12 September ...
Fluctuation theorems and orbital magnetism in nonequilibrium state
Indian Academy of Sciences (India)
We study Langevin dynamics of a driven charged particle in the presence as well as in the absence of magnetic field. We discuss the validity of various work fluctuation theorems using different model potentials and external drives. We also show that one can generate an orbital magnetic moment in a nonequilibrium state ...
Fluctuation theorems and orbital magnetism in nonequilibrium state
Indian Academy of Sciences (India)
Fluctuation theorem; Jarzynski equality; orbital magnetism. PACS Nos 05.70.Ln; 05.40.Jc; 05.40.-a; 05.40.Ca. 1. Introduction. Recent developments in nonequilibrium statistical mechanics has led to the discov- ery of several rigorous theorems for systems far away from equilibrium [1–10]. The fluctuation theorems describe ...
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, ...
On the forces and fluxes in non-equilibrium thermodynamics
International Nuclear Information System (INIS)
Kitahara, Kazuo
1986-01-01
A formulation of non-equilibrium thermodynamics of continuum systems based on local equilibrium assumption is reported. Thermodynamic forces are defined from a generalized local entropy and irreversible fluxes are defined as non-advective parts of fluxes of conservative quantities. The validity of the general evolution criterion and its generalization is discussed. (author)
Nonequilibrium clumped isotope signals in microbial methane
Wang, David T.; Gruen, Danielle S.; Lollar, Barbara Sherwood; Hinrichs, Kai-Uwe; Stewart, Lucy C.; Holden, James F.; Hristov, Alexander N.; Pohlman, John W.; Morrill, Penny L.; Könneke, Martin; Delwiche, Kyle B.; Reeves, Eoghan P.; Sutcliffe, Chelsea N.; Ritter, Daniel J.; Seewald, Jeffrey S.; McIntosh, Jennifer C.; Hemond, Harold F.; Kubo, Michael D.; Cardace, Dawn; Hoehler, Tori M.; Ono, Shuhei
2015-01-01
Methane is a key component in the global carbon cycle with a wide range of anthropogenic and natural sources. Although isotopic compositions of methane have traditionally aided source identification, the abundance of its multiply-substituted “clumped” isotopologues, e.g., 13CH3D, has recently emerged as a proxy for determining methane-formation temperatures; however, the impact of biological processes on methane’s clumped isotopologue signature is poorly constrained. We show that methanogenesis proceeding at relatively high rates in cattle, surface environments, and laboratory cultures exerts kinetic control on 13CH3D abundances and results in anomalously elevated formation temperature estimates. We demonstrate quantitatively that H2 availability accounts for this effect. Clumped methane thermometry can therefore provide constraints on the generation of methane in diverse settings, including continental serpentinization sites and ancient, deep groundwaters.
Energy Technology Data Exchange (ETDEWEB)
Haschke, J M; Siekhaus, W J
2009-02-11
Static concentrations of plutonium oxidation states in solution and at surfaces in oxide-water systems are identified as non-equilibrium steady states. These kinetically controlled systems are described by redox cycles based on irreversible disproportionation of Pu(IV), Pu(V), and Pu(VI) in OH-bridged intermediate complexes and at OH-covered oxide surfaces. Steady state is fixed by continuous redox cycles driven by radioactivity-promoted electron-transfer and energetically favorable reactions of Pu(III) and Pu(VII) disproportionation products with H2O. A model based on the redox cycles accounts for the high steady-state [Pu] coexisting with Pu(IV) hydrous oxide at pH 0-15 and for predominance of Pu(V) and Pu(VI) in solution. The steady-state [Pu] depends on pH and the surface area of oxide in solution, but not on the initial Pu oxidation state. PuO{sub 2+x} formation is attributed to high Pu(V) concentrations existing at water-exposed oxide surfaces. Results infer that migration of Pu in an aqueous environment is controlled by kinetic factors unique to that site and that the predominant oxidation states in solution are Pu(V) and Pu(VI).
International Nuclear Information System (INIS)
Haschke, J.M.; Siekhaus, W.J.
2009-01-01
Static concentrations of plutonium oxidation states in solution and at surfaces in oxide-water systems are identified as non-equilibrium steady states. These kinetically controlled systems are described by redox cycles based on irreversible disproportionation of Pu(IV), Pu(V), and Pu(VI) in OH-bridged intermediate complexes and at OH-covered oxide surfaces. Steady state is fixed by continuous redox cycles driven by radioactivity-promoted electron-transfer and energetically favorable reactions of Pu(III) and Pu(VII) disproportionation products with H2O. A model based on the redox cycles accounts for the high steady-state (Pu) coexisting with Pu(IV) hydrous oxide at pH 0-15 and for predominance of Pu(V) and Pu(VI) in solution. The steady-state (Pu) depends on pH and the surface area of oxide in solution, but not on the initial Pu oxidation state. PuO 2+x formation is attributed to high Pu(V) concentrations existing at water-exposed oxide surfaces. Results infer that migration of Pu in an aqueous environment is controlled by kinetic factors unique to that site and that the predominant oxidation states in solution are Pu(V) and Pu(VI)
Futera, Zdenek; English, Niall J.
2017-07-01
The response of water to externally applied electric fields is of central relevance in the modern world, where many extraneous electric fields are ubiquitous. Historically, the application of external fields in non-equilibrium molecular dynamics has been restricted, by and large, to relatively inexpensive, more or less sophisticated, empirical models. Here, we report long-time non-equilibrium ab initio molecular dynamics in both static and oscillating (time-dependent) external electric fields, therefore opening up a new vista in rigorous studies of electric-field effects on dynamical systems with the full arsenal of electronic-structure methods. In so doing, we apply this to liquid water with state-of-the-art non-local treatment of dispersion, and we compute a range of field effects on structural and dynamical properties, such as diffusivities and hydrogen-bond kinetics.
Stimulated wave of polarization in a one-dimensional Ising chain
International Nuclear Information System (INIS)
Lee, Jae-Seung; Khitrin, A.K.
2005-01-01
It is demonstrated that in a one-dimensional Ising chain with nearest-neighbor interactions, irradiated by a weak resonant transverse field, a stimulated wave of flipped spins can be triggered by a flip of a single spin. This analytically solvable model illustrates mechanisms of quantum amplification and quantum measurement
Coherent Ising machines—optical neural networks operating at the quantum limit
Yamamoto, Yoshihisa; Aihara, Kazuyuki; Leleu, Timothee; Kawarabayashi, Ken-ichi; Kako, Satoshi; Fejer, Martin; Inoue, Kyo; Takesue, Hiroki
2017-12-01
In this article, we will introduce the basic concept and the quantum feature of a novel computing system, coherent Ising machines, and describe their theoretical and experimental performance. We start with the discussion how to construct such physical devices as the quantum analog of classical neuron and synapse, and end with the performance comparison against various classical neural networks implemented in CPU and supercomputers.
Density of zeros of the ferromagnetic Ising model on a family of fractals.
Knežević, Milan; Knežević, Dragica
2012-06-01
We studied distribution of zeros of the partition function of the ferromagnetic Ising model near the Yang-Lee edge on a family of Sierpinski gasket lattices whose members are labeled by an integer b (2 ≤ bfractal lattices become almost compact.
Diluted Ising spin 1/2 lattice with an arbitrary coordination number
International Nuclear Information System (INIS)
Bach Thanh Cong; El Amraoui, Y.
1993-01-01
A useful representation for the Callen identity in the case of spin 1/2 is introduced by a simple technique. The phase diagrams, percolation problems of the diluted Ising lattice with arbitrary coordination number z are also discussed. (author). 12 refs, 5 figs
The Ising model and its applications to a phase transition of biological interest
International Nuclear Information System (INIS)
Cabrera, G.G.; Stein-Barana, A.M.; Zuckermann, M.J.
1984-01-01
It is investigated a gel-liquid crystal phase transition employing a two-state model equivalent to the Spin 1/2 Ising Model with applied magnetic field. The model is studied from the standpoint of the cluster variational method of Kikuchi for cooperative phenomena. (M.W.O.) [pt
The Multisite Antiferromagnetic Ising Spin Model and Universality of Feigenbaum Constants
Ananikian, N. S.; Lusiniants, R. R.; Oganessyan, K. A.
1994-01-01
The Feigenbaum constants $\\alpha$ and $\\delta$ for the three-site antiferromagnetic Ising spin model on Husimi tree are calculated. It is shown that the numerical values of these constants for this real physical system coincide with the famous universal Feigenbaum constants with high accuracy. The quantitative description from ordering to chaos is also obtained.
Physics and financial economics (1776–2014): puzzles, Ising and agent-based models
International Nuclear Information System (INIS)
Sornette, Didier
2014-01-01
This short review presents a selected history of the mutual fertilization between physics and economics—from Isaac Newton and Adam Smith to the present. The fundamentally different perspectives embraced in theories developed in financial economics compared with physics are dissected with the examples of the volatility smile and of the excess volatility puzzle. The role of the Ising model of phase transitions to model social and financial systems is reviewed, with the concepts of random utilities and the logit model as the analog of the Boltzmann factor in statistical physics. Recent extensions in terms of quantum decision theory are also covered. A wealth of models are discussed briefly that build on the Ising model and generalize it to account for the many stylized facts of financial markets. A summary of the relevance of the Ising model and its extensions is provided to account for financial bubbles and crashes. The review would be incomplete if it did not cover the dynamical field of agent-based models (ABMs), also known as computational economic models, of which the Ising-type models are just special ABM implementations. We formulate the ‘Emerging Intelligence Market Hypothesis’ to reconcile the pervasive presence of ‘noise traders’ with the near efficiency of financial markets. Finally, we note that evolutionary biology, more than physics, is now playing a growing role to inspire models of financial markets. (key issues reviews)
Effects of the amorphization on hysteresis loops of the amorphous spin-1/2 Ising system
International Nuclear Information System (INIS)
Essaoudi, I.; Ainane, A.; Saber, M.; Miguel, J.J. de
2009-01-01
We examine the effects of the amorphization on the hysteresis loops of the amorphous spin-1/2 Ising system using the effective field theory within a probability distribution technique that accounts for the self-spin correlation functions. The magnetization, the transverse and longitudinal susceptibilities, and pyromagnetic coefficient are also studied in detail
Physics and financial economics (1776-2014): puzzles, Ising and agent-based models
Sornette, Didier
2014-06-01
This short review presents a selected history of the mutual fertilization between physics and economics—from Isaac Newton and Adam Smith to the present. The fundamentally different perspectives embraced in theories developed in financial economics compared with physics are dissected with the examples of the volatility smile and of the excess volatility puzzle. The role of the Ising model of phase transitions to model social and financial systems is reviewed, with the concepts of random utilities and the logit model as the analog of the Boltzmann factor in statistical physics. Recent extensions in terms of quantum decision theory are also covered. A wealth of models are discussed briefly that build on the Ising model and generalize it to account for the many stylized facts of financial markets. A summary of the relevance of the Ising model and its extensions is provided to account for financial bubbles and crashes. The review would be incomplete if it did not cover the dynamical field of agent-based models (ABMs), also known as computational economic models, of which the Ising-type models are just special ABM implementations. We formulate the ‘Emerging Intelligence Market Hypothesis’ to reconcile the pervasive presence of ‘noise traders’ with the near efficiency of financial markets. Finally, we note that evolutionary biology, more than physics, is now playing a growing role to inspire models of financial markets.
Study on non-universal critical behaviour in Ising model with defects
International Nuclear Information System (INIS)
Guimaraes, L.G.
1986-01-01
One-dimensional quantum analogous of two-dimensional Ising models with line and step type linear defects are studied. The phenomenological renormalization group was approached using conformal invariance for relating critical exponent N sup(*) sub(H). Aiming to obtain the Hamiltonian diagonal, Lanczos tridiagonal method was used. (H.C.K.)
Specific heat of the Ising linear chain in a Random field
International Nuclear Information System (INIS)
Silva, P.R.; Sa Barreto, F.C. de
1984-01-01
Starting from correlation identities for the Ising model the effect of a random field on the one dimension version of the model is studied. Explicit results for the magnetization, the two-particle correlation function and the specific heat are obtained for an uncorrelated distribution of the random fields. (Author) [pt
Trajectories and orbital maneuvers for the ISEE-3/ICE comet mission
Farquhar, R.; Muhonen, D.; Church, L. C.
1984-01-01
The ISEE-3/ICE spacecraft, (launched in 1978), and expected to obtain the first measurements of comet Giacobinni-Zinner in September 1985, has undertaken a combination of propulsive maneuvers, lunar swing-bys, and solar perturbations to produce its present trajectory profile. ISEE-3 is a drum-shaped, spin-stabilized spacecraft equipped with a redundant pair of high-resolution sun sensors, a medium-gain S-band antenna, a hydrazine propulsion system and a science experiment payload. After being placed into a sun-earth libration halo orbit in late 1978, ISEE-3 was retargeted to the geomagnetotail in mid-1982 and became the first spacecraft to explore the geomagnetic tail between 80 and 237 earth radii in 1983. These types of maneuvers may prove important for future scientific missions planned as follow-ons to ISEE-3/ICE, such as a joint NASA/ISAS project spacecraft scheduled for Shuttle launch in 1991, and a possible encounter with two comets in 1996 anad 1998.
The exact solution of the Ising quantum chain with alternating single and sector defects
International Nuclear Information System (INIS)
Zhang Degang; Li Bozang; Li Yun
1992-10-01
The Ising quantum chain with alternating single and sector defects is solved exactly by using the technique of Lieb, Schultz and Mattis. The energy spectrum of this model is shown to have a tower structure if and only if these defects constitute a commensurate configuration. This means that conformal invariance is preserved under these circumstances. (author). 13 refs
Dynamic of Ising model with transverse field for two coupled sublattices in disordered phase
International Nuclear Information System (INIS)
Sa Motta, C.E.H. de.
1984-02-01
The dynamics of the two coupled sublattices tridimensional Ising model in a transverse field was studied by means of a continued fraction expansion for coupled operators. The static Correlation Functions necessary for studying the dynamics were calculated with the Green's Functions Method in the Random Phase Approximation (RPA). The spectral function was calculated in the region T c → . (Author) [pt
A theory of solving TAP equations for Ising models with general invariant random matrices
DEFF Research Database (Denmark)
Opper, Manfred; Çakmak, Burak; Winther, Ole
2016-01-01
We consider the problem of solving TAP mean field equations by iteration for Ising models with coupling matrices that are drawn at random from general invariant ensembles. We develop an analysis of iterative algorithms using a dynamical functional approach that in the thermodynamic limit yields...
Exact solutions to plaquette Ising models with free and periodic boundaries
International Nuclear Information System (INIS)
Mueller, Marco; Johnston, Desmond A.; Janke, Wolfhard
2017-01-01
An anisotropic limit of the 3d plaquette Ising model, in which the plaquette couplings in one direction were set to zero, was solved for free boundary conditions by Suzuki (1972) , who later dubbed it the fuki-nuke, or “no-ceiling”, model. Defining new spin variables as the product of nearest-neighbour spins transforms the Hamiltonian into that of a stack of (standard) 2d Ising models and reveals the planar nature of the magnetic order, which is also present in the fully isotropic 3d plaquette model. More recently, the solution of the fuki-nuke model was discussed for periodic boundary conditions, which require a different approach to defining the product spin transformation, by Castelnovo et al. (2010) . We clarify the exact relation between partition functions with free and periodic boundary conditions expressed in terms of original and product spin variables for the 2d plaquette and 3d fuki-nuke models, noting that the differences are already present in the 1d Ising model. In addition, we solve the 2d plaquette Ising model with helical boundary conditions. The various exactly solved examples illustrate how correlations can be induced in finite systems as a consequence of the choice of boundary conditions.
Physics and financial economics (1776-2014): puzzles, Ising and agent-based models.
Sornette, Didier
2014-06-01
This short review presents a selected history of the mutual fertilization between physics and economics--from Isaac Newton and Adam Smith to the present. The fundamentally different perspectives embraced in theories developed in financial economics compared with physics are dissected with the examples of the volatility smile and of the excess volatility puzzle. The role of the Ising model of phase transitions to model social and financial systems is reviewed, with the concepts of random utilities and the logit model as the analog of the Boltzmann factor in statistical physics. Recent extensions in terms of quantum decision theory are also covered. A wealth of models are discussed briefly that build on the Ising model and generalize it to account for the many stylized facts of financial markets. A summary of the relevance of the Ising model and its extensions is provided to account for financial bubbles and crashes. The review would be incomplete if it did not cover the dynamical field of agent-based models (ABMs), also known as computational economic models, of which the Ising-type models are just special ABM implementations. We formulate the 'Emerging Intelligence Market Hypothesis' to reconcile the pervasive presence of 'noise traders' with the near efficiency of financial markets. Finally, we note that evolutionary biology, more than physics, is now playing a growing role to inspire models of financial markets.
Modeling and numerical analysis of non-equilibrium two-phase flows
International Nuclear Information System (INIS)
Rascle, P.; El Amine, K.
1997-01-01
We are interested in the numerical approximation of two-fluid models of nonequilibrium two-phase flows described by six balance equations. We introduce an original splitting technique of the system of equations. This technique is derived in a way such that single phase Riemann solvers may be used: moreover, it allows a straightforward extension to various and detailed exchange source terms. The properties of the fluids are first approached by state equations of ideal gas type and then extended to real fluids. For the construction of numerical schemes , the hyperbolicity of the full system is not necessary. When based on suitable kinetic unwind schemes, the algorithm can compute flow regimes evolving from mixture to single phase flows and vice versa. The whole scheme preserves the physical features of all the variables which remain in the set of physical states. Several stiff numerical tests, such as phase separation and phase transition are displayed in order to highlight the efficiency of the proposed method. The document is a PhD thesis divided in 6 chapters and two annexes. They are entitled: 1. - Introduction (in French), 2. - Two-phase flow, modelling and hyperbolicity (in French), 3. - A numerical method using upwind schemes for the resolution of two-phase flows without exchange terms (in English), 4. - A numerical scheme for one-phase flow of real fluids (in English), 5. - An upwind numerical for non-equilibrium two-phase flows (in English), 6. - The treatment of boundary conditions (in English), A.1. The Perthame scheme (in English) and A.2. The Roe scheme (in English)
Simulations of NMR pulse sequences during equilibrium and non-equilibrium chemical exchange
International Nuclear Information System (INIS)
Helgstrand, Magnus; Haerd, Torleif; Allard, Peter
2000-01-01
The McConnell equations combine the differential equations for a simple two-state chemical exchange process with the Bloch differential equations for a classical description of the behavior of nuclear spins in a magnetic field. This equation system provides a useful starting point for the analysis of slow, intermediate and fast chemical exchange studied using a variety of NMR experiments. The McConnell equations are in the mathematical form of an inhomogeneous system of first-order differential equations. Here we rewrite the McConnell equations in a homogeneous form in order to facilitate fast and simple numerical calculation of the solution to the equation system. The McConnell equations can only treat equilibrium chemical exchange. We therefore also present a homogeneous equation system that can handle both equilibrium and non-equilibrium chemical processes correctly, as long as the kinetics is of first-order. Finally, the same method of rewriting the inhomogeneous form of the McConnell equations into a homogeneous form is applied to a quantum mechanical treatment of a spin system in chemical exchange. In order to illustrate the homogeneous McConnell equations, we have simulated pulse sequences useful for measuring exchange rates in slow, intermediate and fast chemical exchange processes. A stopped-flow NMR experiment was simulated using the equations for non-equilibrium chemical exchange. The quantum mechanical treatment was tested by the simulation of a sensitivity enhanced 15 N-HSQC with pulsed field gradients during slow chemical exchange and by the simulation of the transfer efficiency of a two-dimensional heteronuclear cross-polarization based experiment as a function of both chemical shift difference and exchange rate constants
1980-01-01
This report on kinetic bridges is essentially a state-of-the-art study on two types of bridges whose location or physical characteristics are designed to be time dependent. The first type, called a "relocatable bridge", is essentially for use as a te...
Qualitative analysis of a discrete thermostatted kinetic framework modeling complex adaptive systems
Bianca, Carlo; Mogno, Caterina
2018-01-01
This paper deals with the derivation of a new discrete thermostatted kinetic framework for the modeling of complex adaptive systems subjected to external force fields (nonequilibrium system). Specifically, in order to model nonequilibrium stationary states of the system, the external force field is coupled to a dissipative term (thermostat). The well-posedness of the related Cauchy problem is investigated thus allowing the new discrete thermostatted framework to be suitable for the derivation of specific models and the related computational analysis. Applications to crowd dynamics and future research directions are also discussed within the paper.
Directory of Open Access Journals (Sweden)
Ming-guo Xie
2017-05-01
Full Text Available Most lost-foam casting processes involve non-equilibrium solidification dominated by kinetic factors, while construction of a common dynamic solidification curve is based on pure thermodynamics, not applicable for analyses and research of non-equilibrium macro-solidification processes, and the construction mode can not be applied to non-equilibrium solidification process. In this study, the construction of the dynamic solidification curve (DSC for the non-equilibrium macro-solidification process included: a modified method to determine the start temperature of primary austenite precipitation (TAL and the start temperature of eutectic solidification (TES; double curves method to determine the temperature of the dendrite coherency point of primary austenite (TAC and the temperature of eutectic cells collision point (TEC; the “technical solidus” method to determine the end temperature of eutectic reaction (TEN. For this purpose, a comparative testing of the non-equilibrium solidification temperature fields in lost-foam casting and green sand mold casting hypoeutectic gray iron was carried out. The thermal analysis results were used to construct the DSCs of both these casting methods under non-equilibrium solidification conditions. The results show that the transformation rate of non-equilibrium solidification in hypoeutectic gray cast iron is greater than that of equilibrium solidification. The eutectic solidification region presents a typical mushy solidification mode. The results also indicate that the primary austenite precipitation zone of lost-foam casting is slightly larger than that of green sand casting. At the same time, the solid fraction (fs of the dendrite coherency points in lost-foam casting is greater than that in the green sand casting. Therefore, from these two points, lost-foam casting is more preferable for reduction of shrinkage and mechanical burnt-in sand tendency of the hypoeutectic gray cast iron. Due to the fact that
Beretta, G P; Al-Abbasi, Omar; von Spakovsky, M R
2017-04-01
The steepest entropy ascent (SEA) dynamical principle provides a general framework for modeling the dynamics of nonequilibrium (NE) phenomena at any level of description, including the atomistic one. It has recently been shown to provide a precise implementation and meaning to the maximum entropy production principle and to encompass many well-established theories of nonequilibrium thermodynamics into a single unifying geometrical framework. Its original formulation in the framework of quantum thermodynamics (QT) assumes the simplest and most natural Fisher-Rao metric to geometrize from a dynamical standpoint the manifold of density operators, which represent the thermodynamic NE states of the system. This simplest SEAQT formulation is used here to develop a general mathematical framework for modeling the NE time evolution of the quantum state of a chemically reactive mixture at an atomistic level. The method is illustrated for a simple two-reaction kinetic scheme of the overall reaction F+H_{2}⇔HF+F in an isolated tank of fixed volume. However, the general formalism is developed for a reactive system subject to multiple reaction mechanisms. To explicitly implement the SEAQT nonlinear law of evolution for the density operator, both the energy and the particle number eigenvalue problems are set up and solved analytically under the dilute gas approximation. The system-level energy and particle number eigenvalues and eigenstates are used in the SEAQT equation of motion to determine the time evolution of the density operator, thus effectively describing the overall kinetics of the reacting system as it relaxes toward stable chemical equilibrium. The predicted time evolution in the near-equilibrium limit is compared to the reaction rates given by a standard detailed kinetic model so as to extract the single time constant needed by the present SEA model.
On the need for and the possibility of a unified description of kinetic and hydrodynamic processes
International Nuclear Information System (INIS)
Klimontovich, Yu.L.
1993-01-01
The aim of the paper is to demonstrate the possibility of a unified description of kinetic and hydrodynamic processes on the basis of a generalized kinetic equation without the use of perturbation theory with respect to the Knudsen number. The derivation of the generalized kinetic equation is based on a concrete definition of a continuous medium in the kinetic and hydrodynamic description of nonequilibrium processes in a Boltzmann gas and in a fully ionized plasma. The concept of a open-quotes pointclose quotes of a continuous medium is introduced through the definition of corresponding physically infinitesimally small volumes. A definition is given of a Gibbs ensemble to the description of nonequilibrium processes in statistical theory. Boltzmann's H theorem is proven for the generalized kinetic equation. The entropy production is determined by the sum of two positive contributions. The entropy flux also consists of two terms. The presence of the second term makes it possible to give a general definition of a heat flux for arbitrary Knudsen numbers. For small Knudsen numbers and slow processes, it reduces to Fourier's law. The equations of gas dynamics follow from the generalized kinetic equation without the use of perturbation theory with respect to the Knudsen number. The region of applicability of the equations of gas dynamics is discussed. Generalized kinetic equations are obtained for the distribution functions of the states of the electrons and ions of a partly ionized plasma. Kinetic equations for active media and in the theory of Brownian motion are discussed. 29 refs
Greskowiak, J.; Hay, M.B.; Prommer, H.; Liu, C.; Post, V.E.A.; Ma, R.; Davis, J.A.; Zheng, C.; Zachara, J.M.
2011-01-01
Coupled intragrain diffusional mass transfer and nonlinear surface complexation processes play an important role in the transport behavior of U(VI) in contaminated aquifers. Two alternative model approaches for simulating these coupled processes were analyzed and compared: (1) the physical nonequilibrium approach that explicitly accounts for aqueous speciation and instantaneous surface complexation reactions in the intragrain regions and approximates the diffusive mass exchange between the immobile intragrain pore water and the advective pore water as multirate first-order mass transfer and (2) the chemical nonequilibrium approach that approximates the diffusion-limited intragrain surface complexation reactions by a set of multiple first-order surface complexation reaction kinetics, thereby eliminating the explicit treatment of aqueous speciation in the intragrain pore water. A model comparison has been carried out for column and field scale scenarios, representing the highly transient hydrological and geochemical conditions in the U(VI)-contaminated aquifer at the Hanford 300A site, Washington, USA. It was found that the response of U(VI) mass transfer behavior to hydrogeochemically induced changes in U(VI) adsorption strength was more pronounced in the physical than in the chemical nonequilibrium model. The magnitude of the differences in model behavior depended particularly on the degree of disequilibrium between the advective and immobile phase U(VI) concentrations. While a clear difference in U(VI) transport behavior between the two models was noticeable for the column-scale scenarios, only minor differences were found for the Hanford 300A field scale scenarios, where the model-generated disequilibrium conditions were less pronounced as a result of frequent groundwater flow reversals. Copyright 2011 by the American Geophysical Union.
Kreuzer, Hans Jürgen
1986-01-01
This monograph deals with the kinetics of adsorption and desorption of molecules physisorbed on solid surfaces. Although frequent and detailed reference is made to experiment, it is mainly concerned with the theory of the subject. In this, we have attempted to present a unified picture based on the master equation approach. Physisorption kinetics is by no means a closed and mature subject; rather, in writing this monograph we intended to survey a field very much in flux, to assess its achievements so far, and to give a reasonable basis from which further developments can take off. For this reason we have included many papers in the bibliography that are not referred to in the text but are of relevance to physisorption. To keep this monograph to a reasonable size, and also to allow for some unity in the presentation of the material, we had to omit a number of topics related to physisorption kinetics. We have not covered to any extent the equilibrium properties of physisorbed layers such as structures, phase tr...
Potential landscape and flux field theory for turbulence and nonequilibrium fluid systems
Wu, Wei; Zhang, Feng; Wang, Jin
2018-02-01
Turbulence is a paradigm for far-from-equilibrium systems without time reversal symmetry. To capture the nonequilibrium irreversible nature of turbulence and investigate its implications, we develop a potential landscape and flux field theory for turbulent flow and more general nonequilibrium fluid systems governed by stochastic Navier-Stokes equations. We find that equilibrium fluid systems with time reversibility are characterized by a detailed balance constraint that quantifies the detailed balance condition. In nonequilibrium fluid systems with nonequilibrium steady states, detailed balance breaking leads directly to a pair of interconnected consequences, namely, the non-Gaussian potential landscape and the irreversible probability flux, forming a 'nonequilibrium trinity'. The nonequilibrium trinity characterizes the nonequilibrium irreversible essence of fluid systems with intrinsic time irreversibility and is manifested in various aspects of these systems. The nonequilibrium stochastic dynamics of fluid systems including turbulence with detailed balance breaking is shown to be driven by both the non-Gaussian potential landscape gradient and the irreversible probability flux, together with the reversible convective force and the stochastic stirring force. We reveal an underlying connection of the energy flux essential for turbulence energy cascade to the irreversible probability flux and the non-Gaussian potential landscape generated by detailed balance breaking. Using the energy flux as a center of connection, we demonstrate that the four-fifths law in fully developed turbulence is a consequence and reflection of the nonequilibrium trinity. We also show how the nonequilibrium trinity can affect the scaling laws in turbulence.
Computational Tool for Kinetic Modeling of Non-Equilibrium Multiphase Flows in Ablation, Phase I
National Aeronautics and Space Administration — Development of highly accurate tools to predict aerothermal environments and associated effects on vehicles is needed to enable advanced spacecraft for future NASA...
The Effect of Non-equilibrium Kinetics on Oxygen Chemistry in the Interstellar Medium
Naduvalath, Balakrishnan
2006-01-01
It has been suggested that in photon-dominated regions, oxygen chemistry is initiated by the O+H2 yields OH+H reaction. The reaction has an energy barrier of about 0.4 eV with ground state reactants and it is slow at low temperatures. There is strong experimental evidence that vibrational excitation of the H2 molecule increases the reactivity significantly. We present extensive quantum calculations of cross sections and rate coefficients for the O+H2(v) reaction for v = 0 - 3 of the H2 molecule and show that the vibrational excitation of the molecule has a significant effect on reactivity, especially at low temperatures.
On Equivalence of Nonequilibrium Thermodynamic and Statistical Entropies
Directory of Open Access Journals (Sweden)
Purushottam D. Gujrati
2015-02-01
Full Text Available We review the concept of nonequilibrium thermodynamic entropy and observables and internal variables as state variables, introduced recently by us, and provide a simple first principle derivation of additive statistical entropy, applicable to all nonequilibrium states by treating thermodynamics as an experimental science. We establish their numerical equivalence in several cases, which includes the most important case when the thermodynamic entropy is a state function. We discuss various interesting aspects of the two entropies and show that the number of microstates in the Boltzmann entropy includes all possible microstates of non-zero probabilities even if the system is trapped in a disjoint component of the microstate space. We show that negative thermodynamic entropy can appear from nonnegative statistical entropy.
Density-functional method for nonequilibrium electron transport
DEFF Research Database (Denmark)
Brandbyge, Mads; Mozos, J.L.; Ordejon, P.
2002-01-01
We describe an ab initio method for calculating the electronic structure, electronic transport, and forces acting on the atoms, for atomic scale systems connected to semi-infinite electrodes and with an applied voltage bias. Our method is based on the density-functional theory (DFT) as implemented...... in the well tested SIESTA approach (which uses nonlocal norm-conserving pseudopotentials to describe the effect of the core electrons, and linear combination of finite-range numerical atomic orbitals to describe the valence states). We fully deal with the atomistic structure of the whole system, treating both...... the contact and the electrodes on the same footing. The effect of the finite bias (including self-consistency and the solution of the electrostatic problem) is taken into account using nonequilibrium Green's functions. We relate the nonequilibrium Green's function expressions to the more transparent scheme...
Extreme quantum nonequilibrium, nodes, vorticity, drift and relaxation retarding states
Underwood, Nicolas G.
2018-02-01
Consideration is given to the behaviour of de Broglie trajectories that are separated from the bulk of the Born distribution with a view to describing the quantum relaxation properties of more ‘extreme’ forms of quantum nonequilibrium. For the 2D isotropic harmonic oscillator, through the construction of what is termed the ‘drift field’, a description is given of a general mechanism that causes the relaxation of ‘extreme’ quantum nonequilibrium. Quantum states are found which do not feature this mechanism, so that relaxation may be severely delayed or possibly may not take place at all. A method by which these states may be identified, classified and calculated is given in terms of the properties of the nodes of the state. Properties of the nodes that enable this classification are described for the first time.
Non-equilibrium plasma reactor for natrual gas processing
International Nuclear Information System (INIS)
Shair, F.H.; Ravimohan, A.L.
1974-01-01
A non-equilibrium plasma reactor for natural gas processing into ethane and ethylene comprising means of producing a non-equilibrium chemical plasma wherein selective conversion of the methane in natural gas to desired products of ethane and ethylene at a pre-determined ethane/ethylene ratio in the chemical process may be intimately controlled and optimized at a high electrical power efficiency rate by mixing with a recycling gas inert to the chemical process such as argon, helium, or hydrogen, reducing the residence time of the methane in the chemical plasma, selecting the gas pressure in the chemical plasma from a wide range of pressures, and utilizing pulsed electrical discharge producing the chemical plasma. (author)
Construction of a Non-Equilibrium Thermal Boundary Layer Facility
Biles, Drummond; Ebadi, Alireza; Ma, Allen; White, Christopher
2015-11-01
A thermally conductive, electrically heated wall-plate forming the bottom wall of a wind tunnel has been constructed and validation tests have been performed. The wall-plate is a sectioned wall design, where each section is independently heated and controlled. Each section consists of an aluminum 6061 plate, an array of resistive heaters affixed to the bottom of the aluminum plate, and a calcium silicate holder used for thermal isolation. Embedded thermocouples in the aluminum plates are used to monitor the wall temperature and for feedback control of wall heating. The wall-plate is used to investigate thermal transport in both equilibrium and non-equilibrium boundary layers. The non-equilibrium boundary layer flow investigated is oscillatory flow produced by a rotor-stator mechanism placed downstream of the test section of the wind tunnel.
Nonequilibrium 1/f γ noise in conducting films and contacts
International Nuclear Information System (INIS)
Zhigal'skii, Gennadii P
2003-01-01
Work on nonequilibrium flicker-noise (1/f γ noise or NEFN) in conducting films of various materials and in thin-film contacts is reviewed. Experimental methods for studying nonequilibrium flicker fluctuations by separating NEFN from the total noise are suggested. Published results on NEFN in metal and alloy films, Ni/Cr-film and Ta x N y -film resistors, and contacts are systematized. It is shown that various kinds of NEFN occur in conducting films. Depending on test conditions, external influences, and the film microstructure, both stationary and non-stationary NEFNs are observed. The use of 1/f γ noise measurements for nondestructively controlling the quality of thin-film conductors is substantiated. For most of the passive IC components (thin-film conductors, resistive layers, contacts), NEFN makes a much more informative quality indicator than equilibrium flicker-noise. (reviews of topical problems)
14th International Conference on Nonequilibrium Carrier Dynamics in Semiconductors
Saraniti, M; Nonequilibrium Carrier Dynamics in Semiconductors
2006-01-01
International experts gather every two years at this established conference to discuss recent developments in theory and experiment in non-equilibrium transport phenomena. These developments have been the driving force behind the spectacular advances in semiconductor physics and devices over the last few decades. Originally known as "Hot Carriers in Semiconductors," the 14th conference in the series covered a wide spectrum of traditional topics dealing with non-equilibrium phenomena, ranging from quantum transport to optical phenomena in mesoscopic and nano-scale structures. Particular attention was given this time to emerging areas of this rapidly evolving field, with many sessions covering terahertz devices, high field transport in nitride semiconductors, spintronics, molecular electronics, and bioelectronics applications.
Nonequilibrium Thermodynamics of Ion Flux through Membrane Channels
Directory of Open Access Journals (Sweden)
Chi-Pan Hsieh
2017-01-01
Full Text Available Ion flux through membrane channels is passively driven by the electrochemical potential differences across the cell membrane. Nonequilibrium thermodynamics has been successful in explaining transport mechanisms, including the ion transport phenomenon. However, physiologists may not be familiar with biophysical concepts based on the view of entropy production. In this paper, I have reviewed the physical meanings and connections between nonequilibrium thermodynamics and the expressions commonly used in describing ion fluxes in membrane physiology. The fluctuation theorem can be applied to interpret the flux ratio in the small molecular systems. The multi-ion single-file feature of the ion channel facilitates the utilization of the natural tendency of electrochemical driving force to couple specific biophysical processes and biochemical reactions on the membrane.