Augusiak, R; Cucchietti, F M; Lewenstein, M; Haake, F
2010-01-01
In this paper, we introduce a quantum generalization of classical kinetic Ising models (KIM), described by a certain class of quantum many-body master equations. Similarly to KIMs with detailed balance that are equivalent to certain Hamiltonian systems, our models reduce to a set of Hamiltonian systems determining the dynamics of the elements of the many-body density matrix. The ground states of these Hamiltonians are well described by the matrix product, or pair entangled projected states. We discuss critical properties of such Hamiltonians, as well as entanglement properties of their low-energy states.
Bona Fide Thermodynamic Temperature in Nonequilibrium Kinetic Ising Models
Sastre, Francisco; Dornic, Ivan; Chaté, Hugues
2003-01-01
We show that a nominal temperature can be consistently and uniquely defined everywhere in the phase diagram of large classes of nonequilibrium kinetic Ising spin models. In addition, we confirm the recent proposal that, at critical points, the large-time ``fluctuation-dissipation ratio'' $X_\\infty$ is a universal amplitude ratio and find in particular $X_\\infty \\approx 0.33(2)$ and $X_\\infty = 1/2$ for the magnetization in, respectively, the two-dimensional Ising and voter universality classes.
Effective-field theory on the kinetic Ising model
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)
Lifshitz-Allen-Cahn domain-growth kinetics of Ising models with conserved density
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-nei...
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)
Battistin, C; Roudi, Y; Hertz, J; Tyrcha, J
2015-01-01
We propose a new algorithm for inferring the state of hidden spins and reconstructing the connections in a synchronous kinetic Ising model, given the observed history. Focusing on the case in which the hidden spins are conditionally independent of each other given the state of observable spins, we show that calculating the likelihood of the data can be simplified by introducing a set of replicated auxiliary spins. Belief propagation (BP) and susceptibility propagation (SusP) can then be used to infer the states of hidden variables and to learn the couplings. We study the convergence and performance of this algorithm for networks with both Gaussian-distributed and binary bonds. We also study how the algorithm behaves as the fraction of hidden nodes and the amount of data are changed, showing that it outperforms the Thouless–Anderson–Palmer (TAP) equations for reconstructing the connections. (paper)
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...
Kinetic Ising model in a time-dependent oscillating external magnetic field: effective-field theory
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)
Dynamics of asymmetric kinetic Ising systems revisited
Huang, Haiping; Kabashima, Yoshiyuki
2014-01-01
The dynamics of an asymmetric kinetic Ising model is studied. Two schemes for improving the existing mean-field description are proposed. In the first scheme, we derive the formulas for instantaneous magnetization, equal-time correlation, and time-delayed correlation, considering the correlation between different local fields. To derive the time-delayed correlation, we emphasize that the small-correlation assumption adopted in previous work (Mézard and Sakellariou, 2011 J. Stat. Mech. L07001) is in fact not required. To confirm the prediction efficiency of our method, we perform extensive simulations on single instances with either temporally constant external driving fields or sinusoidal external fields. In the second scheme, we develop an improved mean-field theory for instantaneous magnetization prediction utilizing the notion of the cavity system in conjunction with a perturbative expansion approach. Its efficiency is numerically confirmed by comparison with the existing mean-field theory when partially asymmetric couplings are present. (paper)
Kinetics of a mixed spin-1/2 and spin-3/2 Ising ferrimagnetic model
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
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.
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.
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.
Fermions as generalized Ising models
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.
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.
Oh, Suhk Kun [Chungbuk National University, Chungbuk (Korea, Republic of)
2006-01-15
As an extension of our previous work on the relationship between time in Monte Carlo simulation and time in the continuous master equation in the infinit-range Glauber kinetic Ising model in the absence of any magnetic field, we explored the same model in the presence of a static magnetic field. Monte Carlo steps per spin as time in the MC simulations again turns out to be proportional to time in the master equation for the model in relatively larger static magnetic fields at any temperature. At and near the critical point in a relatively smaller magnetic field, the model exhibits a significant finite-size dependence, and the solution to the Suzuki-Kubo differential equation stemming from the master equation needs to be re-scaled to fit the Monte Carlo steps per spin for the system with different numbers of spins.
Ising models and soliton equations
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
Roudi, Yasser; Tyrcha, Joanna; Hertz, John
2009-01-01
(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...... extract the optimal couplings for subsets of size up to $200$ neurons, essentially exactly, using Boltzmann learning. We then study the quality of several approximate methods for finding the couplings by comparing their results with those found from Boltzmann learning. Two of these methods -- inversion...... 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...
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.
Ising model for packet routing control
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
Statistical mechanics of the cluster Ising model
Smacchia, Pietro; Amico, Luigi; Facchi, Paolo; Fazio, Rosario; Florio, Giuseppe; Pascazio, Saverio; Vedral, Vlatko
2011-01-01
We study a Hamiltonian system describing a three-spin-1/2 clusterlike interaction competing with an Ising-like antiferromagnetic interaction. We compute free energy, spin-correlation functions, and entanglement both in the ground and in thermal states. The model undergoes a quantum phase transition between an Ising phase with a nonvanishing magnetization and a cluster phase characterized by a string order. Any two-spin entanglement is found to vanish in both quantum phases because of a nontrivial correlation pattern. Nevertheless, the residual multipartite entanglement is maximal in the cluster phase and dependent on the magnetization in the Ising phase. We study the block entropy at the critical point and calculate the central charge of the system, showing that the criticality of the system is beyond the Ising universality class.
Statistical mechanics of the cluster Ising model
Smacchia, Pietro [SISSA - via Bonomea 265, I-34136, Trieste (Italy); Amico, Luigi [CNR-MATIS-IMM and Dipartimento di Fisica e Astronomia Universita di Catania, C/O ed. 10, viale Andrea Doria 6, I-95125 Catania (Italy); Facchi, Paolo [Dipartimento di Matematica and MECENAS, Universita di Bari, I-70125 Bari (Italy); INFN, Sezione di Bari, I-70126 Bari (Italy); Fazio, Rosario [NEST, Scuola Normale Superiore and Istituto Nanoscienze - CNR, 56126 Pisa (Italy); Center for Quantum Technology, National University of Singapore, 117542 Singapore (Singapore); Florio, Giuseppe; Pascazio, Saverio [Dipartimento di Fisica and MECENAS, Universita di Bari, I-70126 Bari (Italy); INFN, Sezione di Bari, I-70126 Bari (Italy); Vedral, Vlatko [Center for Quantum Technology, National University of Singapore, 117542 Singapore (Singapore); Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117542 (Singapore); Department of Physics, University of Oxford, Clarendon Laboratory, Oxford, OX1 3PU (United Kingdom)
2011-08-15
We study a Hamiltonian system describing a three-spin-1/2 clusterlike interaction competing with an Ising-like antiferromagnetic interaction. We compute free energy, spin-correlation functions, and entanglement both in the ground and in thermal states. The model undergoes a quantum phase transition between an Ising phase with a nonvanishing magnetization and a cluster phase characterized by a string order. Any two-spin entanglement is found to vanish in both quantum phases because of a nontrivial correlation pattern. Nevertheless, the residual multipartite entanglement is maximal in the cluster phase and dependent on the magnetization in the Ising phase. We study the block entropy at the critical point and calculate the central charge of the system, showing that the criticality of the system is beyond the Ising universality class.
Transverse Ising spin-glass model
Santos, Raimundo R. dos; Santos, R.M.Z. dos.
1984-01-01
The zero temperature behavior of the Transverse Ising spin-glass (+-J 0 ) model is discussed. The d-dimensional quantum model is shown to be equivalent to a classical (d + 1)- dimensional Ising spin-glass with correlated disorder. An exact Renormalization Group treatment of the one-dimensional quantum model indicates the existence of a spin-glass phase. The Migdal-Kadanoff approximation is used to obtain the phase diagram of the quantum spin-glass in two-dimensions. (Author) [pt
Localized endomorphisms of the chiral Ising model
Boeckenhauer, J.
1994-07-01
In the frame of the treatment of the chiral Ising model by Mack and Schomerus, examples of localized endomorphisms ρ 1 loc and ρ 1/2 loc are presented. It is shown that they lead to the same superselection sectors as the global ones in the sense that π 0 oρ 1 log ≅π 1 and π 0 pρ 1/2 loc ≅π 1/2 holds. For proving the latter unitary equivalence, Arakis formalism of the selfdual CAR algebra is used. Further it is shown that the localized endomorphisms obey the Ising fusion rules. (orig.)
Effective Hamiltonian for 2-dimensional arbitrary spin Ising model
Sznajd, J.; Polska Akademia Nauk, Wroclaw. Inst. Niskich Temperatur i Badan Strukturalnych)
1983-08-01
The method of the reduction of the generalized arbitrary-spin 2-dimensional Ising model to spin-half Ising model is presented. The method is demonstrated in detail by calculating the effective interaction constants to the third order in cumulant expansion for the triangular spin-1 Ising model (the Blume-Emery-Griffiths model). (author)
Thue-Morse quantum Ising model
Doria, M.M.; Nori, F.; Satija, I.I.
1989-01-01
We study the one-dimensional quantum Ising model in a transverse magnetic field where the exchange couplings are ordered according to the Thue-Morse (TM) sequence. At zero temperature, this model is equivalent to a two-dimensional classical Ising model in a magnetic field with TM aperiodicity along one direction. We compute the order parameter (magnetization) of the chain and the scaling behavior of the energy spectrum when the system undergoes a phase transition. Analogous to the quasiperiodic (QP) quantum Ising chain, the onset of long-range order is signaled by a nonanaliticity in the exponent δ which describes the scaling of the total bandwidth with the size of the chain. The critical spin-coupling can be computed analytically and it is found to be lower than the QP case. Furthermore, the energy bands are found to be narrower than the corresponding QP chain. The former and latter results are consistent with the fact that the present structure has a degree of ordering intermediate between QP and random
Monte Carlo technique for very large ising models
Kalle, C.; Winkelmann, V.
1982-08-01
Rebbi's multispin coding technique is improved and applied to the kinetic Ising model with size 600*600*600. We give the central part of our computer program (for a CDC Cyber 76), which will be helpful also in a simulation of smaller systems, and describe the other tricks necessary to go to large lattices. The magnetization M at T=1.4* T c is found to decay asymptotically as exp(-t/2.90) if t is measured in Monte Carlo steps per spin, and M( t = 0) = 1 initially.
Tricritical Ising model with a boundary
De Martino, A.; Moriconi, M.
1998-03-01
We study the integrable and supersymmetric massive φ (1,3) deformation of the tricritical Ising model in the presence of a boundary. We use constraints from supersymmetry in order to compute the exact boundary S-matrices, which turn out to depend explicitly on the topological charge of the supersymmetry algebra. We also solve the general boundary Yang-Baxter equation and show that in appropriate limits the general reflection matrices go over the supersymmetry preserving solutions. Finally, we briefly discuss the possible connection between our reflection matrices and boundary perturbations within the framework of perturbed boundary conformal field theory. (author)
Exact sampling hardness of Ising spin models
Fefferman, B.; Foss-Feig, M.; Gorshkov, A. V.
2017-09-01
We study the complexity of classically sampling from the output distribution of an Ising spin model, which can be implemented naturally in a variety of atomic, molecular, and optical systems. In particular, we construct a specific example of an Ising Hamiltonian that, after time evolution starting from a trivial initial state, produces a particular output configuration with probability very nearly proportional to the square of the permanent of a matrix with arbitrary integer entries. In a similar spirit to boson sampling, the ability to sample classically from the probability distribution induced by time evolution under this Hamiltonian would imply unlikely complexity theoretic consequences, suggesting that the dynamics of such a spin model cannot be efficiently simulated with a classical computer. Physical Ising spin systems capable of achieving problem-size instances (i.e., qubit numbers) large enough so that classical sampling of the output distribution is classically difficult in practice may be achievable in the near future. Unlike boson sampling, our current results only imply hardness of exact classical sampling, leaving open the important question of whether a much stronger approximate-sampling hardness result holds in this context. The latter is most likely necessary to enable a convincing experimental demonstration of quantum supremacy. As referenced in a recent paper [A. Bouland, L. Mancinska, and X. Zhang, in Proceedings of the 31st Conference on Computational Complexity (CCC 2016), Leibniz International Proceedings in Informatics (Schloss Dagstuhl-Leibniz-Zentrum für Informatik, Dagstuhl, 2016)], our result completes the sampling hardness classification of two-qubit commuting Hamiltonians.
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.
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.
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.
The susceptibilities in the spin-S Ising model
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
Ordering kinetics in quasi-one-dimensional Ising-like systems
Mueller, M.; Paul, W.
1993-01-01
Results are presented of a Monte Carlo simulation of the kinetics of ordering in the two-dimensional nearest-neighbor Ising model in an L x M geometry with two free boundaries of length M much-gt L. This model can be viewed as representing an adsorbant on a stepped surface with mean terrace width L. The authors follow the ordering kinetics after quenches to temperatures 0.25 ≤T/T c ≤1 starting from a random initial configuration at a coverage of Θ=0.5 in the corresponding lattice gas picture. The systems evolve in time according to a Glauber kinetics with nonconserved order parameter. The equilibrium structure is given by a one-dimensional sequence of ordered domains. The ordering process evolves from a short initial two-dimensional ordering process through a crossover region to a quasi-one-dimensional behavior. The whole process is diffusive (inverse half-width of the structure factor peak 1/Δq parallel ∝ √t), in contrast to a model proposed by Kawasaki et al., where an intermediate logarithmic growth law is expected. All results are completely describable in the picture of an annihilating random walk (ARW) of domain walls. 36 refs., 16 figs
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....... For systems in the weak-field ''stochastic region,'' where magnetization switching is on average effected by the nucleation and growth of a single droplet, the simulation results can be explained by a simple model in which the free energy is a function only of magnetization. In the intermediate......-field ''multidroplet region,'' a generalization of Avrami's law involving a magnetization-dependent effective magnetic field gives good agreement with the simulations. The effects of the demagnetizing field do not qualitatively change the droplet-theoretical picture of magnetization switching in highly anisotropic...
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 Peierls argument for higher dimensional Ising models
Bonati, Claudio
2014-01-01
The Peierls argument is a mathematically rigorous and intuitive method to show the presence of a non-vanishing spontaneous magnetization in some lattice models. This argument is typically explained for the D = 2 Ising model in a way which cannot be easily generalized to higher dimensions. The aim of this paper is to present an elementary discussion of the Peierls argument for the general D-dimensional Ising model. (paper)
Particles and scaling for lattice fields and Ising models
Glimm, J.; Jaffe, A.
1976-01-01
The conjectured inequality GAMMA 6 4 -fields and the scaling limit for d-dimensional Ising models. Assuming GAMMA 6 = 6 these phi 4 fields are free fields unless the field strength renormalization Z -1 diverges. (orig./BJ) [de
The ising model on the dynamical triangulated random surface
Aleinov, I.D.; Migelal, A.A.; Zmushkow, U.V.
1990-01-01
The critical properties of Ising model on the dynamical triangulated random surface embedded in D-dimensional Euclidean space are investigated. The strong coupling expansion method is used. The transition to thermodynamical limit is performed by means of continuous fractions
Quantum Ising model on hierarchical structures
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
The Ising model coupled to 2d orders
Glaser, Lisa
2018-04-01
In this article we make first steps in coupling matter to causal set theory in the path integral. We explore the case of the Ising model coupled to the 2d discrete Einstein Hilbert action, restricted to the 2d orders. We probe the phase diagram in terms of the Wick rotation parameter β and the Ising coupling j and find that the matter and the causal sets together give rise to an interesting phase structure. The couplings give rise to five different phases. The causal sets take on random or crystalline characteristics as described in Surya (2012 Class. Quantum Grav. 29 132001) and the Ising model can be correlated or uncorrelated on the random orders and correlated, uncorrelated or anti-correlated on the crystalline orders. We find that at least one new phase transition arises, in which the Ising spins push the causal set into the crystalline phase.
An extended chain Ising model and its Glauber dynamics
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)
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.
Universal amplitude ratios in the 3D Ising model
Caselle, M.; Hasenbusch, M.
1998-01-01
We present a high precision Monte Carlo study of various universal amplitude ratios of the three dimensional Ising spin model. Using state of the art simulation techniques we studied the model close to criticality in both phases. Great care was taken to control systematic errors due to finite size effects and correction to scaling terms. We obtain C + /C - =4.75(3), f +,2nd /f -,2nd =1.95(2) and u * =14.3(1). Our results are compatible with those obtained by field theoretic methods applied to the φ 4 theory and high and low temperature series expansions of the Ising model. (orig.)
Zeros of the partition function for some generalized Ising models
Dunlop, F.
1981-01-01
The author considers generalized Ising Models with two and four body interactions in a complex external field h such that Re h>=mod(Im h) + C, where C is an explicit function of the interaction parameters. The partition function Z(h) is then shown to satisfy mod(Z(h))>=Z(c), so that the pressure is analytic in h inside the given region. The method is applied to specific examples: the gauge invariant Ising Model, and the Widom Rowlinson model on the lattice. (Auth.)
Conformal Invariance in the Long-Range Ising Model
Paulos, Miguel F; van Rees, Balt C; Zan, Bernardo
2016-01-01
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.
Conformal invariance in the long-range Ising model
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.
Conformal invariance in the long-range Ising model
Paulos, Miguel F. [CERN, Theory Group, Geneva (Switzerland); Rychkov, Slava, E-mail: slava.rychkov@lpt.ens.fr [CERN, Theory Group, Geneva (Switzerland); Laboratoire de Physique Théorique de l' École Normale Supérieure (LPTENS), Paris (France); Faculté de Physique, Université Pierre et Marie Curie (UPMC), Paris (France); Rees, Balt C. van [CERN, Theory Group, Geneva (Switzerland); Zan, Bernardo [Institute of Physics, Universiteit van Amsterdam, Amsterdam (Netherlands)
2016-01-15
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.
New relation for critical exponents in the Ising model
Pishtshev, A.
2007-01-01
The Ising model in a transverse field is considered at T=0. From the analysis of the power low behaviors of the energy gap and the order parameter as functions of the field a new relation between the respective critical exponents, β>=1/(8s 2 ), is derived. By using the Suzuki equivalence from this inequality a new relation for critical exponents in the Ising model, β>=1/(8ν 2 ), is obtained. A number of numerical examples for different cases illustrates the generality and validity of the relation. By applying this relation the estimation ν=(1/4) 1/3 ∼0.62996 for the 3D-Ising model is proposed
One-dimensional Ising model with multispin interactions
Turban, Loïc
2016-09-01
We study the spin-1/2 Ising chain with multispin interactions K involving the product of m successive spins, for general values of m. Using a change of spin variables the zero-field partition function of a finite chain is obtained for free and periodic boundary conditions and we calculate the two-spin correlation function. When placed in an external field H the system is shown to be self-dual. Using another change of spin variables the one-dimensional Ising model with multispin interactions in a field is mapped onto a zero-field rectangular Ising model with first-neighbour interactions K and H. The 2D system, with size m × N/m, has the topology of a cylinder with helical BC. In the thermodynamic limit N/m\\to ∞ , m\\to ∞ , a 2D critical singularity develops on the self-duality line, \\sinh 2K\\sinh 2H=1.
The square Ising model with second-neighbor interactions and the Ising chain in a transverse field
Grynberg, M.D.; Tanatar, B.
1991-06-01
We consider the thermal and critical behaviour of the square Ising lattice with frustrated first - and second-neighbor interactions. A low-temperature domain wall analysis including kinks and dislocations shows that there is a close relation between this classical model and the Hamiltonian of an Ising chain in a transverse field provided that the ratio of the next-nearest to nearest-neighbor coupling, is close to 1/2. Due to the field inversion symmetry of the Ising chain Hamiltonian, the thermal properties of the classical system are symmetrical with respect to this coupling ratio. In the neighborhood of this regime critical exponents of the model turn out to belong to the Ising universality class. Our results are compared with previous Monte Carlo simulations. (author). 23 refs, 6 figs
Specific heat of the simple-cubic Ising model
Feng, X.; Blöte, H.W.J.
2010-01-01
We provide an expression quantitatively describing the specific heat of the Ising model on the simple-cubic lattice in the critical region. This expression is based on finite-size scaling of numerical results obtained by means of a Monte Carlo method. It agrees satisfactorily with series expansions
Correlation effects in the Ising model in an external field
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 spin S quantum Ising model at T=0
Kamieniarz, G.; Kowalewski, L.; Piechocki, W.
1982-09-01
The Ising model with a transverse field for a general spin S is investigated within the framework of the Green-function method in the paramagnetic region at T=0. The analysis of selfconsistent equations gives a description of softmode phase transition as well as extrapolated values of critical fields and critical energy gap exponents. (author)
Susceptibility and magnetization of a random Ising model
Kumar, D; Srivastava, V [Roorkee Univ. (India). Dept. of Physics
1977-08-01
The susceptibility of a bond disordered Ising model is calculated by configurationally averaging an Ornstein-Zernike type of equation for the two spin correlation function. The equation for the correlation function is derived using a diagrammatic method due to Englert. The averaging is performed using bond CPA. The magnetization is also calculated by averaging in a similar manner a linearised molecular field equation.
The dilute random field Ising model by finite cluster approximation
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
Multiple Time Series Ising Model for Financial Market Simulations
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
Dynamical quantum phase transitions in extended transverse Ising models
Bhattacharjee, Sourav; Dutta, Amit
2018-04-01
We study the dynamical quantum phase transitions (DQPTs) manifested in the subsequent unitary dynamics of an extended Ising model with an additional three spin interactions following a sudden quench. Revisiting the equilibrium phase diagram of the model, where different quantum phases are characterized by different winding numbers, we show that in some situations the winding number may not change across a gap closing point in the energy spectrum. Although, usually there exists a one-to-one correspondence between the change in winding number and the number of critical time scales associated with DQPTs, we show that the extended nature of interactions may lead to unusual situations. Importantly, we show that in the limit of the cluster Ising model, three critical modes associated with DQPTs become degenerate, thereby leading to a single critical time scale for a given sector of Fisher zeros.
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.
Computational Analysis of 3D Ising Model Using Metropolis Algorithms
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)
The transverse spin-1 Ising model with random interactions
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}.
Precision islands in the Ising and O(N) models
Kos, Filip [Department of Physics, Yale University, New Haven, CT 06520 (United States); Poland, David [Department of Physics, Yale University, New Haven, CT 06520 (United States); School of Natural Sciences, Institute for Advanced Study, Princeton, New Jersey 08540 (United States); Simmons-Duffin, David [School of Natural Sciences, Institute for Advanced Study, Princeton, New Jersey 08540 (United States); Vichi, Alessandro [Theory Division, CERN, Geneva (Switzerland)
2016-08-04
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, (Δ{sub σ},Δ{sub ϵ},λ{sub σσϵ},λ{sub ϵϵϵ})=(0.5181489(10),1.412625(10),1.0518537(41),1.532435(19)), give the most precise determinations of these quantities to date.
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.
Genus-two characters of the Ising model
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
Ising model on tangled chain - 1: Free energy and entropy
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
Tricriticality in the q-neighbor Ising model on a partially duplex clique.
Chmiel, Anna; Sienkiewicz, Julian; Sznajd-Weron, Katarzyna
2017-12-01
We analyze a modified kinetic Ising model, a so-called q-neighbor Ising model, with Metropolis dynamics [Phys. Rev. E 92, 052105 (2015)PLEEE81539-375510.1103/PhysRevE.92.052105] on a duplex clique and a partially duplex clique. In the q-neighbor Ising model each spin interacts only with q spins randomly chosen from its whole neighborhood. In the case of a duplex clique the change of a spin is allowed only if both levels simultaneously induce this change. Due to the mean-field-like nature of the model we are able to derive the analytic form of transition probabilities and solve the corresponding master equation. The existence of the second level changes dramatically the character of the phase transition. In the case of the monoplex clique, the q-neighbor Ising model exhibits a continuous phase transition for q=3, discontinuous phase transition for q≥4, and for q=1 and q=2 the phase transition is not observed. On the other hand, in the case of the duplex clique continuous phase transitions are observed for all values of q, even for q=1 and q=2. Subsequently we introduce a partially duplex clique, parametrized by r∈[0,1], which allows us to tune the network from monoplex (r=0) to duplex (r=1). Such a generalized topology, in which a fraction r of all nodes appear on both levels, allows us to obtain the critical value of r=r^{*}(q) at which a tricriticality (switch from continuous to discontinuous phase transition) appears.
Learning and inference in a nonequilibrium Ising model with hidden nodes.
Dunn, Benjamin; Roudi, Yasser
2013-02-01
We study inference and reconstruction of couplings in a partially observed kinetic Ising model. With hidden spins, calculating the likelihood of a sequence of observed spin configurations requires performing a trace over the configurations of the hidden ones. This, as we show, can be represented as a path integral. Using this representation, we demonstrate that systematic approximate inference and learning rules can be derived using dynamical mean-field theory. Although naive mean-field theory leads to an unstable learning rule, taking into account Gaussian corrections allows learning the couplings involving hidden nodes. It also improves learning of the couplings between the observed nodes compared to when hidden nodes are ignored.
Heat fluctuations in Ising models coupled with two different heat baths
Piscitelli, A; Gonnella, G [Dipartimento di Fisica, Universita di Bari and Istituto Nazionale di Fisica Nucleare, Sezione di Bari, via Amendola 173, 70126 Bari (Italy); Corberi, F [Dipartimento di Matematica ed Informatica, via Ponte don Melillo, Universita di Salerno, 84084 Fisciano (Italy)
2008-08-22
Monte Carlo simulations of Ising models coupled to heat baths at two different temperatures are used to study a fluctuation relation for the heat exchanged between the two thermostats in a time {tau}. Different kinetics (single-spin-flip or spin-exchange Kawasaki dynamics), transition rates (Glauber or Metropolis), and couplings between the system and the thermostats have been considered. In every case the fluctuation relation is verified in the large {tau} limit, both in the disordered and in the low temperature phase. Finite-{tau} corrections are shown to obey a scaling behavior. (fast track communication)
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.
Recurrence relations in the three-dimensional Ising model
Yukhnovskij, I.R.; Kozlovskij, M.P.
1977-01-01
Recurrence relations between the coefficients asub(2)sup((i)), asub(4)sup((i)) and Psub(2)sup((i)), Psub(4)sup((i)) which characterize the probabilities of distribution for the three-dimensional Ising model are studied. It is shown that for large arguments z of the Makdonald functions Ksub(ν)(z) the recurrence relations correspond to the known Wilson relations. But near the critical point for small values of the transfer momentum k this limit case does not take place. In the pointed region the argument z tends to zero, and new recurrence relations take place
Decorated Ising models with competing interactions and modulated structures
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
Ising tricriticality in the extended Hubbard model with bond dimerization
Fehske, Holger; Ejima, Satoshi; Lange, Florian; Essler, Fabian H. L.
We explore the quantum phase transition between Peierls and charge-density-wave insulating states in the one-dimensional, half-filled, extended Hubbard model with explicit bond dimerization. We show that the critical line of the continuous Ising transition terminates at a tricritical point, belonging to the universality class of the tricritical Ising model with central charge c=7/10. Above this point, the quantum phase transition becomes first order. Employing a numerical matrix-product-state based (infinite) density-matrix renormalization group method we determine the ground-state phase diagram, the spin and two-particle charge excitations gaps, and the entanglement properties of the model with high precision. Performing a bosonization analysis we can derive a field description of the transition region in terms of a triple sine-Gordon model. This allows us to derive field theory predictions for the power-law (exponential) decay of the density-density (spin-spin) and bond-order-wave correlation functions, which are found to be in excellent agreement with our numerical results. This work was supported by Deutsche Forschungsgemeinschaft (Germany), SFB 652, project B5, and by the EPSRC under Grant No. EP/N01930X/1 (FHLE).
Ising percolation in a three-state majority vote model
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.
Ising percolation in a three-state majority vote model
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.
Ising and Potts models: binding disorder-and dimension effects
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
On the quantum symmetry of the chiral Ising model
Vecsernyés, Peter
1994-03-01
We introduce the notion of rational Hopf algebras that we think are able to describe the superselection symmetries of rational quantum field theories. As an example we show that a six-dimensional rational Hopf algebra H can reproduce the fusion rules, the conformal weights, the quantum dimensions and the representation of the modular group of the chiral Ising model. H plays the role of the global symmetry algebra of the chiral Ising model in the following sense: (1) a simple field algebra F and a representation π on Hπ of it is given, which contains the c = {1}/{2} unitary representations of the Virasoro algebra as subrepresentations; (2) the embedding U: H → B( Hπ) is such that the observable algebra π( A) - is the invariant subalgebra of B( Hπ) with respect to the left adjoint action of H and U(H) is the commutant of π( A); (3) there exist H-covariant primary fields in B( Hπ), which obey generalized Cuntz algebra properties and intertwine between the inequivalent sectors of the observables.
On the phase transition nature in compressible Ising models
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
Quasi-realistic distribution of interaction fields leading to a variant of Ising spin glass model
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
High temperature limit of the order parameter correlation functions in the quantum Ising model
Reyes, S. A.; Tsvelik, A. M.
2006-06-01
In this paper we use the exact results for the anisotropic two-dimensional Ising model obtained by Bugrii and Lisovyy [A.I. Bugrii, O.O. Lisovyy, Theor. Math. Phys. 140 (2004) 987] to derive the expressions for dynamical correlation functions for the quantum Ising model in one dimension at high temperatures.
High temperature limit of the order parameter correlation functions in the quantum Ising model
Reyes, S.A. [Department of Physics and Astronomy, SUNY at Stony Brook, Stony Brook, NY 11794-3840 (United States); Department of Condensed Matter Physics and Materials Science, Brookhaven National Laboratory, Upton, NY 11973-5000 (United States); Tsvelik, A.M. [Department of Physics and Astronomy, SUNY at Stony Brook, Stony Brook, NY 11794-3840 (United States) and Department of Condensed Matter Physics and Materials Science, Brookhaven National Laboratory, Upton, NY 11973-5000 (United States)]. E-mail tsvelik@bnl.gov
2006-06-12
In this paper we use the exact results for the anisotropic two-dimensional Ising model obtained by Bugrii and Lisovyy [A.I. Bugrii, O.O. Lisovyy, Theor. Math. Phys. 140 (2004) 987] to derive the expressions for dynamical correlation functions for the quantum Ising model in one dimension at high temperatures.
String effects in the 3d gauge Ising model
Caselle, Michele; Panero, Marco; Hasenbusch, Martin
2003-01-01
We compare the predictions of the effective string description of confinement with a set of Monte Carlo data for the 3d gauge Ising model at finite temperature. Thanks to a new algorithm which makes use of the dual symmetry of the model we can reach very high precisions even for large quark-antiquark distances. We are thus able to explore the large R regime of the effective string. We find that for large enough distances and low enough temperature the data are well described by a pure bosonic string. As the temperature increases higher order corrections become important and cannot be neglected even at large distances. These higher order corrections seem to be well described by the Nambu-Goto action truncated at the first perturbative order. (author)
History of the Lenz–Ising model 1965–1971
Niss, Martin
2011-01-01
when it was realized that the Lenz–Ising model is actually relevant for the understanding of phase transitions. In this article, which is self-contained, I study how this realization affected attempts to understand critical phenomena, which can be understood as limiting cases of (first-order) phase...... of critical phenomena, for example that diverse physical systems exhibit similar behavior close to a critical point. Later, a more systematic program of understanding critical phenomena emerged that involved an explicit formulation of what it means to understand critical phenomena, namely, the elucidation...... of what features of the Hamiltonian of models lead to what kinds of behavior close to critical points. Attempts to accomplish this program culminated with the so-called hypothesis of universality, put forward independently by Robert B. Griffiths and Leo P. Kadanoff in 1970. They divided critical phenomena...
Antiferromagnetic Ising model with transverse and longitudinal field
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
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.
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.
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.
Effective field treatment of the annealed bond-dilute transverse Ising model
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
Two dimensional kicked quantum Ising model: dynamical phase transitions
Pineda, C; Prosen, T; Villaseñor, E
2014-01-01
Using an efficient one and two qubit gate simulator operating on graphical processing units, we investigate ergodic properties of a quantum Ising spin 1/2 model on a two-dimensional lattice, which is periodically driven by a δ-pulsed transverse magnetic field. We consider three different dynamical properties: (i) level density, (ii) level spacing distribution of the Floquet quasienergy spectrum, and (iii) time-averaged autocorrelation function of magnetization components. Varying the parameters of the model, we found transitions between ordered (non-ergodic) and quantum chaotic (ergodic) phases, but the transitions between flat and non-flat spectral density do not correspond to transitions between ergodic and non-ergodic local observables. Even more surprisingly, we found good agreement of level spacing distribution with the Wigner surmise of random matrix theory for almost all values of parameters except where the model is essentially non-interacting, even in regions where local observables are not ergodic or where spectral density is non-flat. These findings question the versatility of the interpretation of level spacing distribution in many-body systems and stress the importance of the concept of locality. (paper)
Ising percolation in a three-state majority vote model
Balankin, Alexander S.; Martínez-Cruz, M. A.; Gayosso Martínez, Felipe; Mena, Baltasar; Tobon, Atalo; Patiño-Ortiz, Julián; Patiño-Ortiz, Miguel; Samayoa, Didier
2017-02-01
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.
Excited TBA equations I: Massive tricritical Ising model
Pearce, Paul A.; Chim, Leung; Ahn, Changrim
2001-01-01
We consider the massive tricritical Ising model M(4,5) perturbed by the thermal operator phi (cursive,open) Greek 1,3 in a cylindrical geometry and apply integrable boundary conditions, labelled by the Kac labels (r,s), that are natural off-critical perturbations of known conformal boundary conditions. We derive massive thermodynamic Bethe ansatz (TBA) equations for all excitations by solving, in the continuum scaling limit, the TBA functional equation satisfied by the double-row transfer matrices of the A 4 lattice model of Andrews, Baxter and Forrester (ABF) in Regime III. The complete classification of excitations, in terms of (m,n) systems, is precisely the same as at the conformal tricritical point. Our methods also apply on a torus but we first consider (r,s) boundaries on the cylinder because the classification of states is simply related to fermionic representations of single Virasoro characters χ r,s (q). We study the TBA equations analytically and numerically to determine the conformal UV and free particle IR spectra and the connecting massive flows. The TBA equations in Regime IV and massless RG flows are studied in Part II
Ising model on tangled chain - 2: Magnetization and susceptibility
Mejdani, R.
1993-05-01
In the preceding paper we have considered an Ising model defined on tangled chain to study the behaviour of the free energy and entropy, particularly in the zero-field and zero-temperature limit. In this paper, following the main line and basing on some results of the previous work, we shall study in the ''language'' of state configurations the behaviour of the magnetization and the susceptibility for different conditions of the model, to understand better the competition between the ferromagnetic bonds along the chain and the antiferromagnetic additional bonds across the chain. Particularly interesting is the behaviour of the susceptibility in the zero-field and zero-temperature limit. Exact solutions for the magnetization and susceptibility, generated by analytical calculations and iterative algorithms, are described. The additional bonds, introduced as a form of perfectly disorder, indicate a particular effect on the spin correlation. 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. (author). 16 refs, 14 figs
Stability and replica symmetry in the ising spin glass: a toy model
De Dominicis, C.; Mottishaw, P.
1986-01-01
Searching for possible replica symmetric solutions in an Ising spin glass (in the tree approximation) we investigate a toy model whose bond distribution has two non vanishing cumulants (instead of one only as in a gaussian distribution)
Ising model of a randomly triangulated random surface as a definition of fermionic string theory
Bershadsky, M.A.; Migdal, A.A.
1986-01-01
Fermionic degrees of freedom are added to randomly triangulated planar random surfaces. It is shown that the Ising model on a fixed graph is equivalent to a certain Majorana fermion theory on the dual graph. (orig.)
Nonequilibrium two-dimensional Ising model with stationary uphill diffusion
Colangeli, Matteo; Giardinà, Cristian; Giberti, Claudio; Vernia, Cecilia
2018-03-01
Usually, in a nonequilibrium setting, a current brings mass from the highest density regions to the lowest density ones. Although rare, the opposite phenomenon (known as "uphill diffusion") has also been observed in multicomponent systems, where it appears as an artificial effect of the interaction among components. We show here that uphill diffusion can be a substantial effect, i.e., it may occur even in single component systems as a consequence of some external work. To this aim we consider the two-dimensional ferromagnetic Ising model in contact with two reservoirs that fix, at the left and the right boundaries, magnetizations of the same magnitude but of opposite signs.We provide numerical evidence that a class of nonequilibrium steady states exists in which, by tuning the reservoir magnetizations, the current in the system changes from "downhill" to "uphill". Moreover, we also show that, in such nonequilibrium setup, the current vanishes when the reservoir magnetization attains a value approaching, in the large volume limit, the magnetization of the equilibrium dynamics, thus establishing a relation between equilibrium and nonequilibrium properties.
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 equality at all studied dimensions.
Bayesian Modeling of ChIP-chip Data Through a High-Order Ising Model
Mo, Qianxing; Liang, Faming
2010-01-01
approach to ChIP-chip data through an Ising model with high-order interactions. The proposed method naturally takes into account the intrinsic spatial structure of the data and can be used to analyze data from multiple platforms with different genomic
Aonishi, Toru; Mimura, Kazushi; Utsunomiya, Shoko; Okada, Masato; Yamamoto, Yoshihisa
2017-10-01
The coherent Ising machine (CIM) has attracted attention as one of the most effective Ising computing architectures for solving large scale optimization problems because of its scalability and high-speed computational ability. However, it is difficult to implement the Ising computation in the CIM because the theories and techniques of classical thermodynamic equilibrium Ising spin systems cannot be directly applied to the CIM. This means we have to adapt these theories and techniques to the CIM. Here we focus on a ferromagnetic model and a finite loading Hopfield model, which are canonical models sharing a common mathematical structure with almost all other Ising models. We derive macroscopic equations to capture nonequilibrium phase transitions in these models. The statistical mechanical methods developed here constitute a basis for constructing evaluation methods for other Ising computation models.
Study of spin crossover nanoparticles thermal hysteresis using FORC diagrams on an Ising-like model
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
Correlation functions of the Ising model and the eight-vertex model
Ko, L.F.
1986-01-01
Calculations for the two-point correlation functions in the scaling limit for two statistical models are presented. In Part I, the Ising model with a linear defect is studied for T T/sub c/. The transfer matrix method of Onsager and Kaufman is used. The energy-density correlation is given by functions related to the modified Bessel functions. The dispersion expansion for the spin-spin correlation functions are derived. The dominant behavior for large separations at T not equal to T/sub c/ is extracted. It is shown that these expansions lead to systems of Fredholm integral equations. In Part II, the electric correlation function of the eight-vertex model for T < T/sub c/ is studied. The eight vertex model decouples to two independent Ising models when the four spin coupling vanishes. To first order in the four-spin coupling, the electric correlation function is related to a three-point function of the Ising model. This relation is systematically investigated and the full dispersion expansion (to first order in four-spin coupling) is obtained. The results is a new kind of structure which, unlike those of many solvable models, is apparently not expressible in terms of linear integral equations
Probabilistic image processing by means of the Bethe approximation for the Q-Ising model
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
Phase transitions in the random field Ising model in the presence of a transverse field
Dutta, A.; Chakrabarti, B.K. [Saha Institute of Nuclear Physics, Bidhannagar, Calcutta (India); Stinchcombe, R.B. [Saha Institute of Nuclear Physics, Bidhannagar, Calcutta (India); Department of Physics, Oxford (United Kingdom)
1996-09-07
We have studied the phase transition behaviour of the random field Ising model in the presence of a transverse (or tunnelling) field. The mean field phase diagram has been studied in detail, and in particular the nature of the transition induced by the tunnelling (transverse) field at zero temperature. Modified hyper-scaling relation for the zero-temperature transition has been derived using the Suzuki-Trotter formalism and a modified 'Harris criterion'. Mapping of the model to a randomly diluted antiferromagnetic Ising model in uniform longitudinal and transverse field is also given. (author)
The Ising model and its applications to a phase transition of biological interest
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
Kim, Eunhye; Lee, Sung Jong; Kim, Bongsoo
2007-02-01
We present an extensive Monte Carlo simulation study on the nonequilibrium kinetics of triangular antiferromagnetic Ising model within the ground state ensemble which consists of sectors, each of which is characterized by a unique value of the string density p through a dimer covering method. Building upon our recent work [Phys. Rev. E 68, 066127 (2003)] where we considered the nonequilibrium relaxation observed within the dominant sector with p=2/3, we here focus on the nonequilibrium kinetics within the minor sectors with psimple scaling behavior A(t)=A(t/tau(A)(p)), where the time scale tau(A)(p) shows a power-law divergence with vanishing p as tau(A)(p) approximately p(-phi) with phi approximately or equal to 4. These features can be understood in terms of random walk nature of the fluctuations of the strings within the typical separation between neighboring strings.
Long-range transverse Ising model built with dipolar condensates in two-well arrays
Li, Yongyao; Pang, Wei; Xu, Jun; Lee, Chaohong; Malomed, Boris A; Santos, Luis
2017-01-01
Dipolar Bose–Einstein condensates in an array of double-well potentials realize an effective transverse Ising model with peculiar inter-layer interactions, that may result under proper conditions in an anomalous first-order ferromagnetic–antiferromagnetic phase transition, and non-trivial phases due to frustration. The considered setup allows as well for the study of Kibble–Zurek defect formation, whose kink statistics follows that expected from the universality class of the mean-field one-dimensional transverse Ising model. Furthermore, random occupation of each layer of the stack leads to random effective Ising interactions and local transverse fields, that may lead to the Anderson-like localization of imbalance perturbations. (paper)
Multi spin-flip dynamics: a solution of the one-dimensional Ising model
Novak, I.
1990-01-01
The Glauber dynamics of interacting Ising spins (the single spin-flip dynamics) is generalized to p spin-flip dynamics with a simultaneous flip of up to p spins in a single configuration move. The p spin-flip dynamics is studied of the one-dimensional Ising model with uniform nearest-neighbour interaction. For this case, an exact relation is given for the time dependence of magnetization. It was found that the critical slowing down in this model could be avoided when p spin-flip dynamics with p>2 was considered. (author). 17 refs
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.
Canonical vs. micro-canonical sampling methods in a 2D Ising model
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
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.
Physics and financial economics (1776–2014): puzzles, Ising and agent-based models
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)
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.
Exact solutions to plaquette Ising models with free and periodic boundaries
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.
Ising critical behaviour in the one-dimensional frustrated quantum XY model
Granato, E.
1993-06-01
A generalization of the one-dimensional frustrated quantum XY model is considered in which the inter and intra-chain coupling constants of the two infinite XY (planar rotor) chains have different strengths. The model can describe the superconductor-insulator transition due to charging effects in a ladder of Josephson junctions in a magnetic field with half a flux quantum per plaquette. From a fluctuation-effective action, this transition is expected to be in the universality class of the two-dimensional classical XY-Ising model. The critical behaviour is studied using a Monte Carlo transfer matrix applied to the path-integral representation of the model and a finite-size-scaling analysis of data on small system sizes. It is found that, unlike the previous studied case of equal inter and intra-chain coupling constants, the XY and Ising-like excitations of the quantum model decouple for large interchain coupling, giving rise to pure Ising model critical behaviour for the chirality order parameter in good agreement with the results for the XY-Ising model. (author). 18 refs, 4 figs
Fluctuation relations in non-equilibrium stationary states of Ising models
Piscitelli, A; Gonnella, G [Dipartimento di Fisica, Universita di Bari and Istituto Nazionale di Fisica Nucleare, Sezione di Bari, via Amendola 173, 70126 Bari (Italy); Corberi, F [Dipartimento di Matematica ed Informatica, via Ponte don Melillo, Universita di Salerno, 84084 Fisciano (Italy); Pelizzola, A [Dipartimento di Fisica and Istituto Nazionale di Fisica Nucleare, Sezione di Torino, and CNISM, Politecnico di Torino, c. Duca degli Abruzzi 24, 10129 Torino (Italy)
2009-01-15
Fluctuation relations for the entropy production in non-equilibrium stationary states of Ising models are investigated by means of Monte Carlo simulations. Systems in contact with heat baths at two different temperatures or subject to external driving will be studied. In the first case, considering different kinetic rules and couplings with the baths, the behaviors of the probability distributions of the heat exchanged in time {tau} with the thermostats, both in the disordered phase and in the low temperature phase, are discussed. The fluctuation relation is always followed in the large {tau} limit and deviations from linear response theory are observed. Finite {tau} corrections are shown to obey a scaling behavior. In the other case the system is in contact with a single heat bath, but work is done by shearing it. Also for this system, using the statistics collected for the mechanical work we show the validity of the fluctuation relation and the preasymptotic corrections behave analogously to those for the case with two baths.
Zero-temperature renormalization of the 2D transverse Ising model
Kamieniarz, G.
1982-08-01
A zero-temperature real-space renormalization-group method is applied to the transverse Ising model on planar hexagonal, triangular and quadratic lattices. The critical fields and the critical exponents describing low-field large-field transition are calculated. (author)
Annealed central limit theorems for the ising model on random graphs
Giardinà, C.; Giberti, C.; van der Hofstad, R.W.; Prioriello, M.L.
2016-01-01
The aim of this paper is to prove central limit theorems with respect to the annealed measure for the magnetization rescaled by √N of Ising models on random graphs. More precisely, we consider the general rank-1 inhomogeneous random graph (or generalized random graph), the 2-regular configuration
Finite cluster renormalization and new two step renormalization group for Ising model
Benyoussef, A.; El Kenz, A.
1989-09-01
New types of renormalization group theory using the generalized Callen identities are exploited in the study of the Ising model. Another type of two-step renormalization is proposed. Critical couplings and critical exponents y T and y H are calculated by these methods for square and simple cubic lattices, using different size clusters. (author). 17 refs, 2 tabs
First steps towards a state classification in the random-field Ising model
Basso, Vittorio; Magni, Alessandro; Bertotti, Giorgio
2006-01-01
The properties of locally stable states of the random-field Ising model are studied. A map is defined for the dynamics driven by the field starting from a locally stable state. The fixed points of the map are connected with the limit hysteresis loops that appear in the classification of the states
Monte Carlo simulation of Ising models by multispin coding on a vector computer
Wansleben, Stephan; Zabolitzky, John G.; Kalle, Claus
1984-11-01
Rebbi's efficient multispin coding algorithm for Ising models is combined with the use of the vector computer CDC Cyber 205. A speed of 21.2 million updates per second is reached. This is comparable to that obtained by special- purpose computers.
Exact solution of an Ising model with competing interactions on a Cayley tree
Ganikhodjaev, N N; Wahiddin, M R B
2003-01-01
The exact solution of an Ising model with competing restricted interactions on the Cayley tree, and in the absence of an external field is presented. A critical curve is defined where it is possible to get phase transitions above it, and a single Gibbs state is obtained elsewhere.
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.
Dynamic of Ising model with transverse field for two coupled sublattices in disordered phase
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
Study on non-universal critical behaviour in Ising model with defects
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.)
The dilute spin-one Ising model with both bilinear and biquadratic exchange interactions
Saber, M.
1987-08-01
The influence of bond and site dilution on the two-dimensional spin-one Ising model on a honeycomb lattice is investigated. Temperature-concentration phase diagrams for fixed values of the ratio of bilinear and biquadratic exchange interactions are determined. (author). 7 refs, 3 figs
Magnetic properties of the three-dimensional Ising model with an interface amorphization
Benyoussef, A.; El Kenz, A.; Saber, M.
1993-09-01
A three-dimensional ferromagnetic Ising model with an interface amorphization is investigated with the use of the effective field theory. Phase diagrams and reduced magnetization curves of interface and bulks are studied. We obtain a number of characteristic behaviour such as the possibility of the reentrant phenomena and a large depression of interface magnetization. (author). 21 refs, 5 figs
Modeling of the financial market using the two-dimensional anisotropic Ising model
Lima, L. S.
2017-09-01
We have used the two-dimensional classical anisotropic Ising model in an external field and with an ion single anisotropy term as a mathematical model for the price dynamics of the financial market. The model presented allows us to test within the same framework the comparative explanatory power of rational agents versus irrational agents with respect to the facts of financial markets. We have obtained the mean price in terms of the strong of the site anisotropy term Δ which reinforces the sensitivity of the agent's sentiment to external news.
Deviren, Şeyma Akkaya, E-mail: sadeviren@nevsehir.edu.tr [Department of Science Education, Education Faculty, Nevsehir Hacı Bektaş Veli University, 50300 Nevşehir (Turkey); Deviren, Bayram [Department of Physics, Nevsehir Hacı Bektaş Veli University, 50300 Nevsehir (Turkey)
2016-03-15
The dynamic phase transitions and dynamic phase diagrams are studied, within a mean-field approach, in the kinetic Ising model on the Shastry-Sutherland lattice under the presence of a time varying (sinusoidal) magnetic field by using the Glauber-type stochastic dynamics. The time-dependence behavior of order parameters and the behavior of average order parameters in a period, which is also called the dynamic order parameters, as a function of temperature, are investigated. Temperature dependence of the dynamic magnetizations, hysteresis loop areas and correlations are investigated in order to characterize the nature (first- or second-order) of the dynamic phase transitions as well as to obtain the dynamic phase transition temperatures. We present the dynamic phase diagrams in the magnetic field amplitude and temperature plane. The phase diagrams exhibit a dynamic tricritical point and reentrant phenomena. The phase diagrams also contain paramagnetic (P), Néel (N), Collinear (C) phases, two coexistence or mixed regions, (N+C) and (N+P), which strongly depend on interaction parameters. - Highlights: • Dynamic magnetization properties of spin-1/2 Ising model on SSL are investigated. • Dynamic magnetization, hysteresis loop area, and correlation have been calculated. • The dynamic phase diagrams are constructed in (T/|J|, h/|J|) plane. • The phase diagrams exhibit a dynamic tricritical point and reentrant phenomena.
3D-Ising model as a string theory in three-dimensional euclidean space
Sedrakyan, A.
1992-11-01
A three-dimensional string model is analyzed in the strong coupling regime. The contribution of surfaces with different topology to the partition function is essential. A set of corresponding models is discovered. Their critical indices, which depend on two integers (m,n) are calculated analytically. The critical indices of the three-dimensional Ising model should belong to this set. A possible connection with the chain of three dimensional lattice Pott's models is pointed out. (author) 22 refs.; 2 figs
Kimpland, R.H.
1996-01-01
A normalized form of the point kinetics equations, a prompt jump approximation, and the Nordheim-Fuchs model are used to model nuclear systems. Reactivity feedback mechanisms considered include volumetric expansion, thermal neutron temperature effect, Doppler effect and void formation. A sample problem of an excursion occurring in a plutonium solution accidentally formed in a glovebox is presented
Züleyha, Artuç; Ziya, Merdan; Selçuk, Yeşiltaş; Kemal, Öztürk M.; Mesut, Tez
2017-11-01
Computational models for tumors have difficulties due to complexity of tumor nature and capacities of computational tools, however, these models provide visions to understand interactions between tumor and its micro environment. Moreover computational models have potential to develop strategies for individualized treatments for cancer. To observe a solid brain tumor, glioblastoma multiforme (GBM), we present a two dimensional Ising Model applied on Creutz cellular automaton (CCA). The aim of this study is to analyze avascular spherical solid tumor growth, considering transitions between non tumor cells and cancer cells are like phase transitions in physical system. Ising model on CCA algorithm provides a deterministic approach with discrete time steps and local interactions in position space to view tumor growth as a function of time. Our simulation results are given for fixed tumor radius and they are compatible with theoretical and clinic data.
An analysis of intergroup rivalry using Ising model and reinforcement learning
Zhao, Feng-Fei; Qin, Zheng; Shao, Zhuo
2014-01-01
Modeling of intergroup rivalry can help us better understand economic competitions, political elections and other similar activities. The result of intergroup rivalry depends on the co-evolution of individual behavior within one group and the impact from the rival group. In this paper, we model the rivalry behavior using Ising model. Different from other simulation studies using Ising model, the evolution rules of each individual in our model are not static, but have the ability to learn from historical experience using reinforcement learning technique, which makes the simulation more close to real human behavior. We studied the phase transition in intergroup rivalry and focused on the impact of the degree of social freedom, the personality of group members and the social experience of individuals. The results of computer simulation show that a society with a low degree of social freedom and highly educated, experienced individuals is more likely to be one-sided in intergroup rivalry.
Critical Behavior of the Annealed Ising Model on Random Regular Graphs
Can, Van Hao
2017-11-01
In Giardinà et al. (ALEA Lat Am J Probab Math Stat 13(1):121-161, 2016), the authors have defined an annealed Ising model on random graphs and proved limit theorems for the magnetization of this model on some random graphs including random 2-regular graphs. Then in Can (Annealed limit theorems for the Ising model on random regular graphs, arXiv:1701.08639, 2017), we generalized their results to the class of all random regular graphs. In this paper, we study the critical behavior of this model. In particular, we determine the critical exponents and prove a non standard limit theorem stating that the magnetization scaled by n^{3/4} converges to a specific random variable, with n the number of vertices of random regular graphs.
Single-file water as a one-dimensional Ising model
Koefinger, Juergen [Laboratory of Chemical Physics, Bldg 5, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD 20892 (United States); Dellago, Christoph, E-mail: koefingerj@mail.nih.go [Faculty of Physics, University of Vienna, Boltzmanngasse 5, 1090 Vienna (Austria)
2010-09-15
We show that single-file water in nanopores can be viewed as a one-dimensional (1D) Ising model, and we investigate, on the basis of this, the static dielectric response of a chain of hydrogen-bonded water molecules to an external field. To achieve this, we use a recently developed dipole lattice model that accurately captures the free energetics of nanopore water. In this model, the total energy of the system can be expressed as the sum of the effective interactions of chain ends and orientational defects. Neglecting these interactions, we essentially obtain the 1D Ising model, which allows us to derive analytical expressions for the free energy as a function of the total dipole moment and for the dielectric susceptibility. Our expressions, which agree very well with simulation results, provide the basis for the interpretation of future dielectric spectroscopy experiments on water-filled nanopore membranes.
Vasconcelos Dos Santos, R.J.; Coutinho, S.
1995-01-01
The effect of a local field acting on decorating classical D-vector bond spins of an antiferromagnetic Ising model on the square lattice is studied for both the annealed isotropic and the axial decorated cases. In both models the effect on the phase diagrams of the transversal and the longitudinal components of the local field acting on the decorating spins are fully analyzed and discussed
Oxidative desulfurization: kinetic modelling.
Dhir, S; Uppaluri, R; Purkait, M K
2009-01-30
Increasing environmental legislations coupled with enhanced production of petroleum products demand, the deployment of novel technologies to remove organic sulfur efficiently. This work represents the kinetic modeling of ODS using H(2)O(2) over tungsten-containing layered double hydroxide (LDH) using the experimental data provided by Hulea et al. [V. Hulea, A.L. Maciuca, F. Fajula, E. Dumitriu, Catalytic oxidation of thiophenes and thioethers with hydrogen peroxide in the presence of W-containing layered double hydroxides, Appl. Catal. A: Gen. 313 (2) (2006) 200-207]. The kinetic modeling approach in this work initially targets the scope of the generation of a superstructure of micro-kinetic reaction schemes and models assuming Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanisms. Subsequently, the screening and selection of above models is initially based on profile-based elimination of incompetent schemes followed by non-linear regression search performed using the Levenberg-Marquardt algorithm (LMA) for the chosen models. The above analysis inferred that Eley-Rideal mechanism describes the kinetic behavior of ODS process using tungsten-containing LDH, with adsorption of reactant and intermediate product only taking place on the catalyst surface. Finally, an economic index is presented that scopes the economic aspects of the novel catalytic technology with the parameters obtained during regression analysis to conclude that the cost factor for the catalyst is 0.0062-0.04759 US $ per barrel.
Oxidative desulfurization: Kinetic modelling
Dhir, S.; Uppaluri, R.; Purkait, M.K.
2009-01-01
Increasing environmental legislations coupled with enhanced production of petroleum products demand, the deployment of novel technologies to remove organic sulfur efficiently. This work represents the kinetic modeling of ODS using H 2 O 2 over tungsten-containing layered double hydroxide (LDH) using the experimental data provided by Hulea et al. [V. Hulea, A.L. Maciuca, F. Fajula, E. Dumitriu, Catalytic oxidation of thiophenes and thioethers with hydrogen peroxide in the presence of W-containing layered double hydroxides, Appl. Catal. A: Gen. 313 (2) (2006) 200-207]. The kinetic modeling approach in this work initially targets the scope of the generation of a superstructure of micro-kinetic reaction schemes and models assuming Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanisms. Subsequently, the screening and selection of above models is initially based on profile-based elimination of incompetent schemes followed by non-linear regression search performed using the Levenberg-Marquardt algorithm (LMA) for the chosen models. The above analysis inferred that Eley-Rideal mechanism describes the kinetic behavior of ODS process using tungsten-containing LDH, with adsorption of reactant and intermediate product only taking place on the catalyst surface. Finally, an economic index is presented that scopes the economic aspects of the novel catalytic technology with the parameters obtained during regression analysis to conclude that the cost factor for the catalyst is 0.0062-0.04759 US $ per barrel
Magnetic properties of Fe–Al for quenched diluted spin-1 Ising model
Freitas, A.S.; Albuquerque, Douglas F. de; Fittipaldi, I.P.; Moreno, N.O.
2014-01-01
We study the phase diagram of Fe 1−q Al q alloys via the quenched site diluted spin-1 ferromagnetic Ising model by employing effective field theory. One suggests a new approach to exchange interaction between nearest neighbors of Fe that depends on the powers of the Al (q) instead of the linear dependence proposed in other papers. In such model we propose the same kind of the exchange interaction in which the iron–nickel alloys obtain an excellent theoretical description of the experimental data of the T–q phase diagram for all Al concentration q. - Highlights: • We apply the quenched Ising model spin-1 to study the properties of Fe–Al. • We employ the EFT and suggest a new approach to ferromagnetic coupling. • The new probability distribution is considered. • The phase diagram is obtained for all values of q in T–q plane
Magnetic properties of Fe–Al for quenched diluted spin-1 Ising model
Freitas, A.S. [Departamento de Física, Universidade Federal de Sergipe, 49100-000, São Cristovão, SE (Brazil); Coordenadoria de Física, Instituto Federal de Sergipe, 49400-000 Lagarto, SE (Brazil); Albuquerque, Douglas F. de, E-mail: douglas@ufs.br [Departamento de Física, Universidade Federal de Sergipe, 49100-000, São Cristovão, SE (Brazil); Departamento de Matemática, Universidade Federal de Sergipe, 49100-000, São Cristovão, SE (Brazil); Fittipaldi, I.P. [Representação Regional do Ministério da Ciência, Tecnologia e Inovação no Nordeste - ReNE, 50740-540 Recife, PE (Brazil); Moreno, N.O. [Departamento de Física, Universidade Federal de Sergipe, 49100-000, São Cristovão, SE (Brazil)
2014-08-01
We study the phase diagram of Fe{sub 1−q}Al{sub q} alloys via the quenched site diluted spin-1 ferromagnetic Ising model by employing effective field theory. One suggests a new approach to exchange interaction between nearest neighbors of Fe that depends on the powers of the Al (q) instead of the linear dependence proposed in other papers. In such model we propose the same kind of the exchange interaction in which the iron–nickel alloys obtain an excellent theoretical description of the experimental data of the T–q phase diagram for all Al concentration q. - Highlights: • We apply the quenched Ising model spin-1 to study the properties of Fe–Al. • We employ the EFT and suggest a new approach to ferromagnetic coupling. • The new probability distribution is considered. • The phase diagram is obtained for all values of q in T–q plane.
Modeling chemical kinetics graphically
Heck, A.
2012-01-01
In literature on chemistry education it has often been suggested that students, at high school level and beyond, can benefit in their studies of chemical kinetics from computer supported activities. Use of system dynamics modeling software is one of the suggested quantitative approaches that could
Monte Carlo method for critical systems in infinite volume: The planar Ising model.
Herdeiro, Victor; Doyon, Benjamin
2016-10-01
In this paper we propose a Monte Carlo method for generating finite-domain marginals of critical distributions of statistical models in infinite volume. The algorithm corrects the problem of the long-range effects of boundaries associated to generating critical distributions on finite lattices. It uses the advantage of scale invariance combined with ideas of the renormalization group in order to construct a type of "holographic" boundary condition that encodes the presence of an infinite volume beyond it. We check the quality of the distribution obtained in the case of the planar Ising model by comparing various observables with their infinite-plane prediction. We accurately reproduce planar two-, three-, and four-point of spin and energy operators. We also define a lattice stress-energy tensor, and numerically obtain the associated conformal Ward identities and the Ising central charge.
Tightness of the Ising-Kac Model on the Two-Dimensional Torus
Hairer, Martin; Iberti, Massimo
2018-05-01
We consider the sequence of Gibbs measures of Ising models with Kac interaction defined on a periodic two-dimensional discrete torus near criticality. Using the convergence of the Glauber dynamic proven by Mourrat and Weber (Commun Pure Appl Math 70:717-812, 2017) and a method by Tsatsoulis and Weber employed in (arXiv:1609.08447 2016), we show tightness for the sequence of Gibbs measures of the Ising-Kac model near criticality and characterise the law of the limit as the Φ ^4_2 measure on the torus. Our result is very similar to the one obtained by Cassandro et al. (J Stat Phys 78(3):1131-1138, 1995) on Z^2, but our strategy takes advantage of the dynamic, instead of correlation inequalities. In particular, our result covers the whole critical regime and does not require the large temperature/large mass/small coupling assumption present in earlier results.
Pushing the limits of Monte Carlo simulations for the three-dimensional Ising model
Ferrenberg, Alan M.; Xu, Jiahao; Landau, David P.
2018-04-01
While the three-dimensional Ising model has defied analytic solution, various numerical methods like Monte Carlo, Monte Carlo renormalization group, and series expansion have provided precise information about the phase transition. Using Monte Carlo simulation that employs the Wolff cluster flipping algorithm with both 32-bit and 53-bit random number generators and data analysis with histogram reweighting and quadruple precision arithmetic, we have investigated the critical behavior of the simple cubic Ising Model, with lattice sizes ranging from 163 to 10243. By analyzing data with cross correlations between various thermodynamic quantities obtained from the same data pool, e.g., logarithmic derivatives of magnetization and derivatives of magnetization cumulants, we have obtained the critical inverse temperature Kc=0.221 654 626 (5 ) and the critical exponent of the correlation length ν =0.629 912 (86 ) with precision that exceeds all previous Monte Carlo estimates.
Sampling algorithms for validation of supervised learning models for Ising-like systems
Portman, Nataliya; Tamblyn, Isaac
2017-12-01
In this paper, we build and explore supervised learning models of ferromagnetic system behavior, using Monte-Carlo sampling of the spin configuration space generated by the 2D Ising model. Given the enormous size of the space of all possible Ising model realizations, the question arises as to how to choose a reasonable number of samples that will form physically meaningful and non-intersecting training and testing datasets. Here, we propose a sampling technique called ;ID-MH; that uses the Metropolis-Hastings algorithm creating Markov process across energy levels within the predefined configuration subspace. We show that application of this method retains phase transitions in both training and testing datasets and serves the purpose of validation of a machine learning algorithm. For larger lattice dimensions, ID-MH is not feasible as it requires knowledge of the complete configuration space. As such, we develop a new ;block-ID; sampling strategy: it decomposes the given structure into square blocks with lattice dimension N ≤ 5 and uses ID-MH sampling of candidate blocks. Further comparison of the performance of commonly used machine learning methods such as random forests, decision trees, k nearest neighbors and artificial neural networks shows that the PCA-based Decision Tree regressor is the most accurate predictor of magnetizations of the Ising model. For energies, however, the accuracy of prediction is not satisfactory, highlighting the need to consider more algorithmically complex methods (e.g., deep learning).
Tsallis, C.; Levy, S.V.F.
1979-05-01
Two different renormalization-group approaches are used to determine approximate solutions for the paramagnetic-ferromagnetic transition line of the square-lattice bond-dilute first-neighbour-interaction Ising model. (Author) [pt
Finite-size scaling theory and quantum hamiltonian Field theory: the transverse Ising model
Hamer, C.J.; Barber, M.N.
1979-01-01
Exact results for the mass gap, specific heat and susceptibility of the one-dimensional transverse Ising model on a finite lattice are generated by constructing a finite matrix representation of the Hamiltonian using strong-coupling eigenstates. The critical behaviour of the limiting infinite chain is analysed using finite-size scaling theory. In this way, excellent estimates (to within 1/2% accuracy) are found for the critical coupling and the exponents α, ν and γ
Two site spin correlation function in Bethe-Peierls approximation for Ising model
Kumar, D [Roorkee Univ. (India). Dept. of Physics
1976-07-01
Two site spin correlation function for an Ising model above Curie temperature has been calculated by generalising Bethe-Peierls approximation. The results derived by a graphical method due to Englert are essentially the same as those obtained earlier by Elliott and Marshall, and Oguchi and Ono. The earlier results were obtained by a direct generalisation of the cluster method of Bethe, while these results are derived by retaining that class of diagrams , which is exact on Bethe lattice.
The diluted tri-dimensional spin-one Ising model with crystal field interactions
Saber, M.
1988-09-01
3D spin-one Ising models with nearest-neighbour ferromagnetic interactions with crystal-field exhibit tricritical behaviour. A new method that applies to a wide class of random systems is used to study the influence of site and bond dilution on this behaviour. We have calculated temperature-crystal-field-concentration phase diagrams and determined, in particular, the influence of dilution on the zero temperature tricritical temperature. (author). 10 refs, 8 figs
Schlittmeier, Sabine J; Weissgerber, Tobias; Kerber, Stefan; Fastl, Hugo; Hellbrück, Jürgen
2012-01-01
Background sounds, such as narration, music with prominent staccato passages, and office noise impair verbal short-term memory even when these sounds are irrelevant. This irrelevant sound effect (ISE) is evoked by so-called changing-state sounds that are characterized by a distinct temporal structure with varying successive auditory-perceptive tokens. However, because of the absence of an appropriate psychoacoustically based instrumental measure, the disturbing impact of a given speech or nonspeech sound could not be predicted until now, but necessitated behavioral testing. Our database for parametric modeling of the ISE included approximately 40 background sounds (e.g., speech, music, tone sequences, office noise, traffic noise) and corresponding performance data that was collected from 70 behavioral measurements of verbal short-term memory. The hearing sensation fluctuation strength was chosen to model the ISE and describes the percept of fluctuations when listening to slowly modulated sounds (f(mod) background sounds, the algorithm estimated behavioral performance data in 63 of 70 cases within the interquartile ranges. In particular, all real-world sounds were modeled adequately, whereas the algorithm overestimated the (non-)disturbance impact of synthetic steady-state sounds that were constituted by a repeated vowel or tone. Implications of the algorithm's strengths and prediction errors are discussed.
Quantum-information approach to the Ising model: Entanglement in chains of qubits
Stelmachovic, Peter; Buzek, Vladimir
2004-01-01
Simple physical interactions between spin-1/2 particles may result in quantum states that exhibit exotic correlations that are difficult to find if one simply explores state spaces of multipartite systems. In particular, we present a detailed investigation of the well-known Ising model of a chain (ring) of spin-1/2 particles (qubits) in a transverse magnetic field. We present explicit expressions for eigenstates of the model Hamiltonian for arbitrary number of spin-1/2 particles in the chain in the standard (computer) basis, and we investigate quantum entanglement between individual qubits. We analyze bipartite as well as multipartite entanglement in the ground state of the model. In particular, we show that bipartite entanglement between pairs of qubits of the Ising chain (measured in terms of a concurrence) as a function of the parameter λ has a maximum around the point λ=1, and it monotonically decreases for large values of λ. We prove that in the limit λ→∞ this state is locally unitary equivalent to an N-partite Greenberger-Horn-Zeilinger state. We also analyze a very specific eigenstate of the Ising Hamiltonian with a zero eigenenergy (we denote this eigenstate as the X-state). This X-state exhibits the 'extreme' entanglement in a sense that an arbitrary subset A of k≤n qubits in the Ising chain composed of N=2n+1 qubits is maximally entangled with the remaining qubits (set B) in the chain. In addition, we prove that by performing a local operation just on the subset B, one can transform the X-state into a direct product of k singlets shared by the parties A and B. This property of the X-state can be utilized for new secure multipartite communication protocols
Effective field study of ising model on a double perovskite structure
Ngantso, G. Dimitri; El Amraoui, Y. [LMPHE, (URAC 12), Faculté des Sciences, Université Mohammed V, Rabat (Morocco); Benyoussef, A. [LMPHE, (URAC 12), Faculté des Sciences, Université Mohammed V, Rabat (Morocco); Center of Materials and Nanomaterials, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); El Kenz, A., E-mail: elkenz@fsr.ac.ma [LMPHE, (URAC 12), Faculté des Sciences, Université Mohammed V, Rabat (Morocco)
2017-02-01
By using the effective field theory (EFT), the mixed spin-1/2 and spin-3/2 Ising ferrimagnetic model adapted to a double perovskite structure has been studied. The EFT calculations have been carried out from Ising Hamiltonian by taking into account first and second nearest-neighbors interactions and the crystal and external magnetic fields. Both first- and second-order phase transitions have been found in phase diagrams of interest. Depending on crystal-field values, the thermodynamic behavior of total magnetization indicated the compensation phenomenon existence. The hysteresis behaviors are studied by investigating the reduced magnetic field dependence of total magnetization and a series of hysteresis loops are shown for different reduced temperatures around the critical one. - Highlights: • Magnetic properties of double perovskite Structure have been studied. • Compensation temperature has been observed below the critical temperature. • Hysteresis behaviors have been studied.
Effective field study of ising model on a double perovskite structure
Ngantso, G. Dimitri; El Amraoui, Y.; Benyoussef, A.; El Kenz, A.
2017-01-01
By using the effective field theory (EFT), the mixed spin-1/2 and spin-3/2 Ising ferrimagnetic model adapted to a double perovskite structure has been studied. The EFT calculations have been carried out from Ising Hamiltonian by taking into account first and second nearest-neighbors interactions and the crystal and external magnetic fields. Both first- and second-order phase transitions have been found in phase diagrams of interest. Depending on crystal-field values, the thermodynamic behavior of total magnetization indicated the compensation phenomenon existence. The hysteresis behaviors are studied by investigating the reduced magnetic field dependence of total magnetization and a series of hysteresis loops are shown for different reduced temperatures around the critical one. - Highlights: • Magnetic properties of double perovskite Structure have been studied. • Compensation temperature has been observed below the critical temperature. • Hysteresis behaviors have been studied.
Fisher zeros in the Kallen-Lehmann approach to 3D Ising model
Astorino, Marco; Canfora, Fabrizio; Giribet, Gaston
2009-01-01
The distribution of the Fisher zeros in the Kallen-Lehmann approach to three-dimensional Ising model is studied. It is argued that the presence of a non-trivial angle (a cusp) in the distribution of zeros in the complex temperatures plane near the physical singularity is realized through a strong breaking of the 2D Ising self-duality. Remarkably, the realization of the cusp in the Fisher distribution ultimately leads to an improvement of the results of the Kallen-Lehmann ansatz. In fact, excellent agreement with Monte Carlo predictions both at high and at low temperatures is observed. Besides, agreement between both approaches is found for the predictions of the critical exponent α and of the universal amplitude ratio Δ=A + /A - , within the 3.5% and 7% of the Monte Carlo predictions, respectively
LLNL Chemical Kinetics Modeling Group
Pitz, W J; Westbrook, C K; Mehl, M; Herbinet, O; Curran, H J; Silke, E J
2008-09-24
The LLNL chemical kinetics modeling group has been responsible for much progress in the development of chemical kinetic models for practical fuels. The group began its work in the early 1970s, developing chemical kinetic models for methane, ethane, ethanol and halogenated inhibitors. Most recently, it has been developing chemical kinetic models for large n-alkanes, cycloalkanes, hexenes, and large methyl esters. These component models are needed to represent gasoline, diesel, jet, and oil-sand-derived fuels.
Semi-local invariance in Ising models with multi-spin interaction
Lipowski, A.
1996-08-01
We examine implications of semi-local invariance in Ising models with multispin interaction. In ergodic models all spin-spin correlation functions vanish and the local symmetry is the same as in locally gauge-invariant models. The d = 3 model with four-spin interaction is nonergodic at low temperature but the magnetic symmetry remains unbroken. The d = 3 model with eight-spin interaction is ergodic but undergoes the phase transition and most likely its low-temperature phase is characterized by a nonlocal order parameter. (author). 7 refs, 1 fig
Dynamic hysteresis behaviors in the kinetic Ising system on triangular lattice
Kantar, Ersin; Ertaş, Mehmet
2018-04-01
We studied dynamic hysteresis behaviors of the spin-1 Blume-Capel (BC) model in a triangular lattice by means of the effective-field theory (EFT) with correlations and using Glauber-type stochastic dynamics. The effects of the exchange interaction (J), crystal field (D), temperature (T) and oscillating frequency (w) on the hysteresis behaviors of the BC model in a triangular lattice are investigated in detail. Results are compared with some other dynamic studies and quantitatively good agreement is found.
Monte Carlo study of radiation-induced demagnetization using the two-dimensional Ising model
Samin, Adib; Cao, Lei
2015-01-01
A simple radiation-damage model based on the Ising model for magnets is proposed to study the effects of radiation on the magnetism of permanent magnets. The model is studied in two dimensions using a Monte Carlo simulation, and it accounts for the radiation through the introduction of a localized heat pulse. The model exhibits qualitative agreement with experimental results, and it clearly elucidates the role that the coercivity and the radiation particle’s energy play in the process. A more quantitative agreement with experiment will entail accounting for the long-range dipole–dipole interactions and the crystalline anisotropy.
Monte Carlo study of radiation-induced demagnetization using the two-dimensional Ising model
Samin, Adib; Cao, Lei
2015-10-01
A simple radiation-damage model based on the Ising model for magnets is proposed to study the effects of radiation on the magnetism of permanent magnets. The model is studied in two dimensions using a Monte Carlo simulation, and it accounts for the radiation through the introduction of a localized heat pulse. The model exhibits qualitative agreement with experimental results, and it clearly elucidates the role that the coercivity and the radiation particle’s energy play in the process. A more quantitative agreement with experiment will entail accounting for the long-range dipole–dipole interactions and the crystalline anisotropy.
El-Showk, Sheer; Poland, David; Rychkov, Slava; Simmons-Duffin, David; Vichi, Alessandro
2014-01-01
We use the conformal bootstrap to perform a precision study of the operator spectrum of the critical 3d Ising model. We conjecture that the 3d Ising spectrum minimizes the central charge c in the space of unitary solutions to crossing symmetry. Because extremal solutions to crossing symmetry are uniquely determined, we are able to precisely reconstruct the first several Z2-even operator dimensions and their OPE coefficients. We observe that a sharp transition in the operator spectrum occurs at the 3d Ising dimension Delta_sigma=0.518154(15), and find strong numerical evidence that operators decouple from the spectrum as one approaches the 3d Ising point. We compare this behavior to the analogous situation in 2d, where the disappearance of operators can be understood in terms of degenerate Virasoro representations.
Ovchinnikov, O. S.; Jesse, S.; Kalinin, S. V.; Bintacchit, P.; Trolier-McKinstry, S.
2009-01-01
An approach for the direct identification of disorder type and strength in physical systems based on recognition analysis of hysteresis loop shape is developed. A large number of theoretical examples uniformly distributed in the parameter space of the system is generated and is decorrelated using principal component analysis (PCA). The PCA components are used to train a feed-forward neural network using the model parameters as targets. The trained network is used to analyze hysteresis loops for the investigated system. The approach is demonstrated using a 2D random-bond-random-field Ising model, and polarization switching in polycrystalline ferroelectric capacitors.
Monte Carlo Studies of Phase Separation in Compressible 2-dim Ising Models
Mitchell, S. J.; Landau, D. P.
2006-03-01
Using high resolution Monte Carlo simulations, we study time-dependent domain growth in compressible 2-dim ferromagnetic (s=1/2) Ising models with continuous spin positions and spin-exchange moves [1]. Spins interact with slightly modified Lennard-Jones potentials, and we consider a model with no lattice mismatch and one with 4% mismatch. For comparison, we repeat calculations for the rigid Ising model [2]. For all models, large systems (512^2) and long times (10^ 6 MCS) are examined over multiple runs, and the growth exponent is measured in the asymptotic scaling regime. For the rigid model and the compressible model with no lattice mismatch, the growth exponent is consistent with the theoretically expected value of 1/3 [1] for Model B type growth. However, we find that non-zero lattice mismatch has a significant and unexpected effect on the growth behavior.Supported by the NSF.[1] D.P. Landau and K. Binder, A Guide to Monte Carlo Simulations in Statistical Physics, second ed. (Cambridge University Press, New York, 2005).[2] J. Amar, F. Sullivan, and R.D. Mountain, Phys. Rev. B 37, 196 (1988).
Bayesian Modeling of ChIP-chip Data Through a High-Order Ising Model
Mo, Qianxing
2010-01-29
ChIP-chip experiments are procedures that combine chromatin immunoprecipitation (ChIP) and DNA microarray (chip) technology to study a variety of biological problems, including protein-DNA interaction, histone modification, and DNA methylation. The most important feature of ChIP-chip data is that the intensity measurements of probes are spatially correlated because the DNA fragments are hybridized to neighboring probes in the experiments. We propose a simple, but powerful Bayesian hierarchical approach to ChIP-chip data through an Ising model with high-order interactions. The proposed method naturally takes into account the intrinsic spatial structure of the data and can be used to analyze data from multiple platforms with different genomic resolutions. The model parameters are estimated using the Gibbs sampler. The proposed method is illustrated using two publicly available data sets from Affymetrix and Agilent platforms, and compared with three alternative Bayesian methods, namely, Bayesian hierarchical model, hierarchical gamma mixture model, and Tilemap hidden Markov model. The numerical results indicate that the proposed method performs as well as the other three methods for the data from Affymetrix tiling arrays, but significantly outperforms the other three methods for the data from Agilent promoter arrays. In addition, we find that the proposed method has better operating characteristics in terms of sensitivities and false discovery rates under various scenarios. © 2010, The International Biometric Society.
Magnetization of the Ising model on the Sierpinski pastry-shell
Chame, Anna; Branco, N. S.
1992-02-01
Using a real-space renormalization group approach, we calculate the approximate magnetization in the Ising model on the Sierpinski Pastry-shell. We consider, as an approximation, only two regions of the fractal: the internal surfaces, or walls (sites on the border of eliminated areas), with coupling constants JS, and the bulk (all other sites), with coupling constants Jv. We obtain the mean magnetization of the two regions as a function of temperature, for different values of α= JS/ JV and different geometric parameters b and l. Curves present a step-like behavior for some values of b and l, as well as different universality classes for the bulk transition.
Rigorous spin-spin correlation function of Ising model on a special kind of Sierpinski Carpets
Yang, Z.R.
1993-10-01
We have exactly calculated the rigorous spin-spin correlation function of Ising model on a special kind of Sierpinski Carpets (SC's) by means of graph expansion and a combinatorial approach and investigated the asymptotic behaviour in the limit of long distance. The result show there is no long range correlation between spins at any finite temperature which indicates no existence of phase transition and thus finally confirms the conclusion produced by the renormalization group method and other physical arguments. (author). 7 refs, 6 figs
Critical properties of a ferroelectric superlattice described by a transverse spin-1/2 Ising model
Tabyaoui, A; Saber, M; Baerner, K; Ainane, A
2007-01-01
The phase transition properties of a ferroelectric superlattice with two alternating layers A and B described by a transverse spin-1/2 Ising model have been investigated using the effective field theory within a probability distribution technique that accounts for the self spin correlation functions. The Curie temperature T c , polarization and susceptibility have been obtained. The effects of the transverse field and the ferroelectric and antiferroelectric interfacial coupling strength between two ferroelectric materials are discussed. They relate to the physical properties of antiferroelectric/ferroelectric superlattices
A theory of solving TAP equations for Ising models with general invariant random matrices
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...... the iteration dependent on a Gaussian distributed field only. The TAP magnetizations are stable fixed points if a de Almeida–Thouless stability criterion is fulfilled. We illustrate our method explicitly for coupling matrices drawn from the random orthogonal ensemble....
The ground-state phase diagrams of the spin-3/2 Ising model
Canko, Osman; Keskin, Mustafa
2003-01-01
The ground-state spin configurations are obtained for the spin-3/2 Ising model Hamiltonian with bilinear and biquadratic exchange interactions and a single-ion crystal field. The interactions are assumed to be only between nearest-neighbors. The calculated ground-state phase diagrams are presented on diatomic lattices, such as the square, honeycomb and sc lattices, and triangular lattice in the (Δ/z vertical bar J vertical bar ,K/ vertical bar J vertical bar) and (H/z vertical bar J vertical bar, K/ vertical bar J vertical bar) planes
Dimers and the Critical Ising Model on lattices of genus >1
Costa-Santos, Ruben; McCoy, B.M.
2002-01-01
We study the partition function of both Close-Packed Dimers and the Critical Ising Model on a square lattice embedded on a genus two surface. Using numerical and analytical methods we show that the determinants of the Kasteleyn adjacency matrices have a dependence on the boundary conditions that, for large lattice size, can be expressed in terms of genus two theta functions. The period matrix characterizing the continuum limit of the lattice is computed using a discrete holomorphic structure. These results relate in a direct way the lattice combinatorics with conformal field theory, providing new insight to the lattice regularization of conformal field theories on higher genus Riemann surfaces
Approximating the Ising model on fractal lattices of dimension less than two
Codello, Alessandro; Drach, Vincent; Hietanen, Ari
2015-01-01
We construct periodic approximations to the free energies of Ising models on fractal lattices of dimension smaller than two, in the case of a zero external magnetic field, based on the combinatorial method of Feynman and Vdovichenko. We show that the procedure is applicable to any fractal obtained...... with, possibly, arbitrary accuracy and paves the way for determination Tc of any fractal of dimension less than two. Critical exponents are more diffcult to determine since the free energy of any periodic approximation still has a logarithmic singularity at the critical point implying α = 0. We also...
Zhang Ang-Hui; Li Xiao-Wen; Su Gui-Feng; Zhang Yi
2015-01-01
We present a multifractal detrended fluctuation analysis (MFDFA) of the time series of return generated by our recently-proposed Ising financial market model with underlying small world topology. The result of the MFDFA shows that there exists obvious multifractal scaling behavior in produced time series. We compare the MFDFA results for original time series with those for shuffled series, and find that its multifractal nature is due to two factors: broadness of probability density function of the series and different correlations in small- and large-scale fluctuations. This may provide new insight to the problem of the origin of multifractality in financial time series. (paper)
Kovacs effect in the one-dimensional Ising model: A linear response analysis
Ruiz-García, M.; Prados, A.
2014-01-01
We analyze the so-called Kovacs effect in the one-dimensional Ising model with Glauber dynamics. We consider small enough temperature jumps, for which a linear response theory has been recently derived. Within this theory, the Kovacs hump is directly related to the monotonic relaxation function of the energy. The analytical results are compared with extensive Monte Carlo simulations, and an excellent agreement is found. Remarkably, the position of the maximum in the Kovacs hump depends on the fact that the true asymptotic behavior of the relaxation function is different from the stretched exponential describing the relevant part of the relaxation at low temperatures.
Ising model with competing axial interactions in the presence of a field
Yokoi, C.S.O.; Salinas, S.R.A.; Coutinho Filho, M.D.
1980-09-01
A layered Ising model is studied with competing interactions between nearest and next-nearest layers in the presence of a magnetic field. The analysis is carried out in the mean-field approximation with one effective field for each layer. The high-temperature region is studied analytically. The low-temperature region is studied numerically. T-H phase diagrams are constructed, which exhibit a variety of modulated phases, for various values of the ratio of the strength of the competing interactions. Numerical evidence of the devil's staircase behavior is found either as a function of temperature or applied magnetic field. (Author) [pt
New estimates on various critical/universal quantities of the 3d Ising model
Hasenbusch, M.
1998-01-01
We present estimates for the 3D Ising model on the cubic lattice, both regarding interface and bulk properties. We have results for the interface tension, in particular the amplitude σ 0 in the critical law σ=ρ 0 t μ , and for the universal combination R - =σξ 2 . Concerning the bulk properties, we estimate the specific heat universal amplitude ratio A + /A - , together with the exponent α, the nonsingular background of energy and specific heat at criticality, together with the exponent ν. There are also results for the universal combination f s ξ 3 , where f s is the singular part of the free energy. (orig.)
Numerical study of self-couplings in the broken phase of the lattice Ising model
Munehisa, T.; Munehisa, Y.
1989-01-01
A Monte Carlo study of a one-component scalar Φ 4 model was made on a 10 4 hypercubic lattice in its Ising limit. We measured the renormalized mass and coupling of the three-point vertex in the spontaneously broken phase. By measuring them at non-zero momenta, we successfully settled problems caused by the finite vacuum expectation value of the scalar field. To suppress artificial fluctuation of observables, a uniform source was introduced. Our results are in good agreement with the one-loop relation between the vacuum expectation value, mass and the three-point coupling. (orig.)
The Ising model for prediction of disordered residues from protein sequence alone
Lobanov, Michail Yu; Galzitskaya, Oxana V
2011-01-01
Intrinsically disordered regions serve as molecular recognition elements, which play an important role in the control of many cellular processes and signaling pathways. It is useful to be able to predict positions of disordered residues and disordered regions in protein chains using protein sequence alone. A new method (IsUnstruct) based on the Ising model for prediction of disordered residues from protein sequence alone has been developed. According to this model, each residue can be in one of two states: ordered or disordered. The model is an approximation of the Ising model in which the interaction term between neighbors has been replaced by a penalty for changing between states (the energy of border). The IsUnstruct has been compared with other available methods and found to perform well. The method correctly finds 77% of disordered residues as well as 87% of ordered residues in the CASP8 database, and 72% of disordered residues as well as 85% of ordered residues in the DisProt database
Flocking with discrete symmetry: The two-dimensional active Ising model.
Solon, A P; Tailleur, J
2015-10-01
We study in detail the active Ising model, a stochastic lattice gas where collective motion emerges from the spontaneous breaking of a discrete symmetry. On a two-dimensional lattice, active particles undergo a diffusion biased in one of two possible directions (left and right) and align ferromagnetically their direction of motion, hence yielding a minimal flocking model with discrete rotational symmetry. We show that the transition to collective motion amounts in this model to a bona fide liquid-gas phase transition in the canonical ensemble. The phase diagram in the density-velocity parameter plane has a critical point at zero velocity which belongs to the Ising universality class. In the density-temperature "canonical" ensemble, the usual critical point of the equilibrium liquid-gas transition is sent to infinite density because the different symmetries between liquid and gas phases preclude a supercritical region. We build a continuum theory which reproduces qualitatively the behavior of the microscopic model. In particular, we predict analytically the shapes of the phase diagrams in the vicinity of the critical points, the binodal and spinodal densities at coexistence, and the speeds and shapes of the phase-separated profiles.
The Ising model in the scaling limit as model for the description of elementary particles
Weinzierl, W.
1981-01-01
In this thesis a possible way is stepped over which starts from the derivation of a quantum field theory from simplest statistical degrees of freedom, as for instance in a two-level system. On a model theory, the Ising model in (1+1) dimensions the idea is explained. In this model theory two particle-interpretable quantum fields arise which can be constructed by a basic field which parametrizes the local dynamics in a simplest way. This so called proliferation is further examined. For the proliferation of the basic field a conserved quantity, a kind of parity is necessary. The stability of both particle fields is a consequence of this conservation law. For the identification of the ''particle-interpretable'' fields the propagators of the order and disorder parameter field are calculated and discussed. An effective Hamiltonian in this particle fields is calculated. As further aspect of this transition from the statistical system to quantum field theory the dimensional transmutation and the closely to this connected mass renormalization is examined. The relation between spin systems in the critical region and fermionic field theories is explained. Thereby it results that certain fermionic degrees of freedom of the spin system vanish in the scaling limit. The ''macroscopically'' relevant degrees of freedom constitute a relativistic Majorana field. (orig./HSI) [de
The critical 1-arm exponent for the ferromagnetic Ising model on the Bethe lattice
Heydenreich, Markus; Kolesnikov, Leonid
2018-04-01
We consider the ferromagnetic nearest-neighbor Ising model on regular trees (Bethe lattice), which is well-known to undergo a phase transition in the absence of an external magnetic field. The behavior of the model at critical temperature can be described in terms of various critical exponents; one of them is the critical 1-arm exponent ρ which characterizes the rate of decay of the (root) magnetization as a function of the distance to the boundary. The crucial quantity we analyze in this work is the thermal expectation of the root spin on a finite subtree, where the expected value is taken with respect to a probability measure related to the corresponding finite-volume Hamiltonian with a fixed boundary condition. The spontaneous magnetization, which is the limit of this thermal expectation in the distance between the root and the boundary (i.e., in the height of the subtree), is known to vanish at criticality. We are interested in a quantitative analysis of the rate of this convergence in terms of the critical 1-arm exponent ρ. Therefore, we rigorously prove that ⟨σ0⟩ n +, the thermal expectation of the root spin at the critical temperature and in the presence of the positive boundary condition, decays as ⟨σ0 ⟩ n +≈n-1/2 (in a rather sharp sense), where n is the height of the tree. This establishes the 1-arm critical exponent for the Ising model on regular trees (ρ =1/2 ).
Correspondence between spanning trees and the Ising model on a square lattice
Viswanathan, G. M.
2017-06-01
An important problem in statistical physics concerns the fascinating connections between partition functions of lattice models studied in equilibrium statistical mechanics on the one hand and graph theoretical enumeration problems on the other hand. We investigate the nature of the relationship between the number of spanning trees and the partition function of the Ising model on the square lattice. The spanning tree generating function T (z ) gives the spanning tree constant when evaluated at z =1 , while giving the lattice green function when differentiated. It is known that for the infinite square lattice the partition function Z (K ) of the Ising model evaluated at the critical temperature K =Kc is related to T (1 ) . Here we show that this idea in fact generalizes to all real temperatures. We prove that [Z(K ) s e c h 2 K ] 2=k exp[T (k )] , where k =2 tanh(2 K )s e c h (2 K ) . The identical Mahler measure connects the two seemingly disparate quantities T (z ) and Z (K ) . In turn, the Mahler measure is determined by the random walk structure function. Finally, we show that the the above correspondence does not generalize in a straightforward manner to nonplanar lattices.
Emergent 1d Ising Behavior in AN Elementary Cellular Automaton Model
Kassebaum, Paul G.; Iannacchione, Germano S.
The fundamental nature of an evolving one-dimensional (1D) Ising model is investigated with an elementary cellular automaton (CA) simulation. The emergent CA simulation employs an ensemble of cells in one spatial dimension, each cell capable of two microstates interacting with simple nearest-neighbor rules and incorporating an external field. The behavior of the CA model provides insight into the dynamics of coupled two-state systems not expressible by exact analytical solutions. For instance, state progression graphs show the causal dynamics of a system through time in relation to the system's entropy. Unique graphical analysis techniques are introduced through difference patterns, diffusion patterns, and state progression graphs of the 1D ensemble visualizing the evolution. All analyses are consistent with the known behavior of the 1D Ising system. The CA simulation and new pattern recognition techniques are scalable (in both dimension, complexity, and size) and have many potential applications such as complex design of materials, control of agent systems, and evolutionary mechanism design.
Q-deformed Grassmann field and the two-dimensional Ising model
Bugrij, A.I.; Shadura, V.N.
1994-01-01
In this paper we construct the exact representation of the Ising partition function in form of the SL q (2,R)-invariant functional integral for the lattice free q-fermion field theory (q=-1). It is shown that the proposed method of q-fermionization allows one to re-express the partition function of the eight vertex model in external field through the functional integral with four-fermion interaction. For the construction of these representation we define a lattice (l,q,s)-deformed Grassmann bi spinor field and extend the Berezin integration rules for this field. At q = - 1, l = s 1 we obtain the lattice q-fermion field which allows to fermionize the two-dimensional Ising model. We show that Gaussian integral over (q,s)-Grassmann variables is expressed through the (q,s)-deformed Pfaffian which is equal to square root of the determinant of some matrix at q = ± 1, s = ±1. (author). 39 refs
The Ising model: from elliptic curves to modular forms and Calabi-Yau equations
Bostan, A; Boukraa, S; Hassani, S; Zenine, N; Van Hoeij, M; Maillard, J-M; Weil, J-A
2011-01-01
We show that almost all the linear differential operators factors obtained in the analysis of the n-particle contributions of the susceptibility of the Ising model for n ≤ 6 are linear differential operators associated with elliptic curves. Beyond the simplest differential operators factors which are homomorphic to symmetric powers of the second order operator associated with the complete elliptic integral E, the second and third order differential operators Z 2 , F 2 , F 3 , L-tilde 3 can actually be interpreted as modular forms of the elliptic curve of the Ising model. A last order-4 globally nilpotent linear differential operator is not reducible to this elliptic curve, modular form scheme. This operator is shown to actually correspond to a natural generalization of this elliptic curve, modular form scheme, with the emergence of a Calabi-Yau equation, corresponding to a selected 4 F 3 hypergeometric function. This hypergeometric function can also be seen as a Hadamard product of the complete elliptic integral K, with a remarkably simple algebraic pull-back (square root extension), the corresponding Calabi-Yau fourth order differential operator having a symplectic differential Galois group SP(4,C). The mirror maps and higher order Schwarzian ODEs, associated with this Calabi-Yau ODE, present all the nice physical and mathematical ingredients we had with elliptic curves and modular forms, in particular an exact (isogenies) representation of the generators of the renormalization group, extending the modular group SL(2,Z) to a GL(2,Z) symmetry group.
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.
Magnetization plateaus and phase diagrams of the Ising model on the Shastry–Sutherland lattice
Deviren, Seyma Akkaya, E-mail: sadeviren@nevsehir.edu.tr
2015-11-01
The magnetization properties of a two-dimensional spin-1/2 Ising model on the Shastry–Sutherland lattice are studied within the effective-field theory (EFT) with correlations. The thermal behavior of the magnetizations is investigated in order to characterize the nature (the first- or second-order) of the phase transitions as well as to obtain the phase diagrams of the model. The internal energy, specific heat, entropy and free energy of the system are also examined numerically as a function of the temperature in order to confirm the stability of the phase transitions. The applied field dependence of the magnetizations is also examined to find the existence of the magnetization plateaus. For strong enough magnetic fields, several magnetization plateaus are observed, e.g., at 1/9, 1/8, 1/3 and 1/2 of the saturation. The phase diagrams of the model are constructed in two different planes, namely (h/|J|, |J′|/|J|) and (h/|J|, T/|J|) planes. It was found that the model exhibits first- and second-order phase transitions; hence tricitical point is also observed in additional to the zero-temperature critical point. Moreover the Néel order (N), collinear order (C) and ferromagnetic (F) phases are also found with appropriate values of the system parameters. The reentrant behavior is also obtained whenever model displays two Néel temperatures. These results are compared with some theoretical and experimental works and a good overall agreement has been obtained. - Highlights: • Magnetization properties of spin-1/2 Ising model on SS lattice are investigated. • The magnetization plateaus of the 1/9, 1/8, 1/3 and 1/2 are observed. • The phase diagrams of the model are constructed in two different planes. • The model exhibits the tricitical and zero-temperature critical points. • The reentrant behavior is obtained whenever model displays two Neel temperatures.
The high-temperature expansion of the classical Ising model with Sz2 term
M.T. Thomaz
2012-03-01
Full Text Available We derive the high-temperature expansion of the Helmholtz free energy up to order β17 of the one-dimensional spin-S Ising model, with single-ion anisotropy term, in the presence of a longitudinal magnetic field. We show that the values of some thermodynamical functions for the ferromagnetic models, in the presence of a weak magnetic field, are not small corrections to their values with h=0. This model with S=3 was applied by Kishine et al. [J.-i. Kishine et al., Phys. Rev. B, 2006, 74, 224419] to analyze experimental data of the single-chain magnet [Mn (saltmen]2 [Ni(pac2 (py2] (PF62 for T<40 K. We show that for T<35 K the thermodynamic functions of the large-spin limit model are poor approximations to their analogous spin-3 functions.
Detect genuine multipartite entanglement in the one-dimensional transverse-field Ising model
Deng Dongling; Gu Shijian; Chen Jingling
2010-01-01
Recently Seevinck and Uffink argued that genuine multipartite entanglement (GME) had not been established in the experiments designed to confirm GME. In this paper, we use the Bell-type inequalities introduced by Seevinck and Svetlichny [M. Seevinck, G. Svetlichny, Phys. Rev. Lett. 89 (2002) 060401] to investigate the GME problem in the one-dimensional transverse-field Ising model. We show explicitly that the ground states of this model violate the inequality when the external transverse magnetic field is weak, which indicate that the ground states in this model with weak magnetic field are fully entangled. Since this model can be simulated with nuclear magnetic resonance, our results provide a fresh approach to experimental test of GME.
de Albuquerque, Douglas F.; Fittipaldi, I. P.
1994-05-01
A unified effective-field renormalization-group framework (EFRG) for both quenched bond- and site-diluted Ising models is herein developed by extending recent works. The method, as in the previous works, follows up the same strategy of the mean-field renormalization-group scheme (MFRG), and is achieved by introducing an alternative way for constructing classical effective-field equations of state, based on rigorous Ising spin identities. The concentration dependence of the critical temperature, Tc(p), and the critical concentrations of magnetic atoms, pc, at which the transition temperature goes to zero, are evaluated for several two- and three-dimensional lattice structures. The obtained values of Tc and pc and the resulting phase diagrams for both bond and site cases are much more accurate than those estimated by the standard MFRG approach. Although preserving the same level of simplicity as the MFRG, it is shown that the present EFRG method, even by considering its simplest size-cluster version, provides results that correctly distinguishes those lattices that have the same coordination number, but differ in dimensionality or geometry.
A hidden Ising model for ChIP-chip data analysis
Mo, Q.
2010-01-28
Motivation: Chromatin immunoprecipitation (ChIP) coupled with tiling microarray (chip) experiments have been used in a wide range of biological studies such as identification of transcription factor binding sites and investigation of DNA methylation and histone modification. Hidden Markov models are widely used to model the spatial dependency of ChIP-chip data. However, parameter estimation for these models is typically either heuristic or suboptimal, leading to inconsistencies in their applications. To overcome this limitation and to develop an efficient software, we propose a hidden ferromagnetic Ising model for ChIP-chip data analysis. Results: We have developed a simple, but powerful Bayesian hierarchical model for ChIP-chip data via a hidden Ising model. Metropolis within Gibbs sampling algorithm is used to simulate from the posterior distribution of the model parameters. The proposed model naturally incorporates the spatial dependency of the data, and can be used to analyze data with various genomic resolutions and sample sizes. We illustrate the method using three publicly available datasets and various simulated datasets, and compare it with three closely related methods, namely TileMap HMM, tileHMM and BAC. We find that our method performs as well as TileMap HMM and BAC for the high-resolution data from Affymetrix platform, but significantly outperforms the other three methods for the low-resolution data from Agilent platform. Compared with the BAC method which also involves MCMC simulations, our method is computationally much more efficient. Availability: A software called iChip is freely available at http://www.bioconductor.org/. Contact: moq@mskcc.org. © The Author 2010. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oxfordjournals.org.
Quantum Ising model in transverse and longitudinal fields: chaotic wave functions
Atas, Y Y; Bogomolny, E
2017-01-01
The construction of a statistical model for eigenfunctions of the Ising model in transverse and longitudinal fields is discussed in detail for the chaotic case. When the number of spins is large, each wave function coefficient has the Gaussian distribution with zero mean and variance calculated from the first two moments of the Hamiltonian. The main part of the paper is devoted to the discussion of various corrections to the asymptotic result. One type of correction is related to higher order moments of the Hamiltonian, and can be taken into account by Gibbs-like formulae. Other corrections are due to symmetry contributions, which manifest as different numbers of non-zero real and complex coefficients. The statistical model with these corrections included agrees well with numerical calculations of wave function moments. (paper)
Parity Symmetry and Parity Breaking in the Quantum Rabi Model with Addition of Ising Interaction
Wang Qiong; He Zhi; Yao Chun-Mei
2015-01-01
We explore the possibility to generate new parity symmetry in the quantum Rabi model after a bias is introduced. In contrast to a mathematical treatment in a previous publication [J. Phys. A 46 (2013) 265302], we consider a physically realistic method by involving an additional spin into the quantum Rabi model to couple with the original spin by an Ising interaction, and then the parity symmetry is broken as well as the scaling behavior of the ground state by introducing a bias. The rule can be found that the parity symmetry is broken by introducing a bias and then restored by adding new degrees of freedom. Experimental feasibility of realizing the models under discussion is investigated. (paper)
The Landau-Lifshitz equation describes the Ising spin correlation function in the free-fermion model
Rutkevich, S B
1998-01-01
We consider time and space dependence of the Ising spin correlation function in a continuous one-dimensional free-fermion model. By the Ising spin we imply the 'sign' variable, which takes alternating +-1 values in adjacent domains bounded by domain walls (fermionic world paths). The two-point correlation function is expressed in terms of the solution of the Cauchy problem for a nonlinear partial differential equation, which is proved to be equivalent to the exactly solvable Landau-Lifshitz equation. A new zero-curvature representation for this equation is presented. In turn, the initial condition for the Cauchy problem is given by the solution of a nonlinear ordinary differential equation, which has also been derived. In the Ising limit the above-mentioned partial and ordinary differential equations reduce to the sine-Gordon and Painleve III equations, respectively. (author)
Mixed spin Ising model with four-spin interaction and random crystal field
Benayad, N.; Ghliyem, M.
2012-01-01
The effects of fluctuations of the crystal field on the phase diagram of the mixed spin-1/2 and spin-1 Ising model with four-spin interactions are investigated within the finite cluster approximation based on a single-site cluster theory. The state equations are derived for the two-dimensional square lattice. It has been found that the system exhibits a variety of interesting features resulting from the fluctuation of the crystal field interactions. In particular, for low mean value D of the crystal field, the critical temperature is not very sensitive to fluctuations and all transitions are of second order for any value of the four-spin interactions. But for relatively high D, the transition temperature depends on the fluctuation of the crystal field, and the system undergoes tricritical behaviour for any strength of the four-spin interactions. We have also found that the model may exhibit reentrance for appropriate values of the system parameters.
Antal, T [Physics Department, Simon Fraser University, Burnaby, BC V5A 1S6 (Canada); Droz, M [Departement de Physique Theorique, Universite de Geneve, CH 1211 Geneva 4 (Switzerland); Racz, Z [Institute for Theoretical Physics, Eoetvoes University, 1117 Budapest, Pazmany setany 1/a (Hungary)
2004-02-06
Finite-size scaling functions are investigated both for the mean-square magnetization fluctuations and for the probability distribution of the magnetization in the one-dimensional Ising model. The scaling functions are evaluated in the limit of the temperature going to zero (T {yields} 0), the size of the system going to infinity (N {yields} {infinity}) while N[1 - tanh(J/k{sub B}T)] is kept finite (J being the nearest neighbour coupling). Exact calculations using various boundary conditions (periodic, antiperiodic, free, block) demonstrate explicitly how the scaling functions depend on the boundary conditions. We also show that the block (small part of a large system) magnetization distribution results are identical to those obtained for free boundary conditions.
Quantum phase transition of the transverse-field quantum Ising model on scale-free networks.
Yi, Hangmo
2015-01-01
I investigate the quantum phase transition of the transverse-field quantum Ising model in which nearest neighbors are defined according to the connectivity of scale-free networks. Using a continuous-time quantum Monte Carlo simulation method and the finite-size scaling analysis, I identify the quantum critical point and study its scaling characteristics. For the degree exponent λ=6, I obtain results that are consistent with the mean-field theory. For λ=4.5 and 4, however, the results suggest that the quantum critical point belongs to a non-mean-field universality class. Further simulations indicate that the quantum critical point remains mean-field-like if λ>5, but it continuously deviates from the mean-field theory as λ becomes smaller.
Pini, Maria Gloria; Rettori, Angelo
1993-08-01
The thermodynamical properties of an alternating spin (S,s) one-dimensional (1D) Ising model with competing nearest- and next-nearest-neighbor interactions are exactly calculated using a transfer-matrix technique. In contrast to the case S=s=1/2, previously investigated by Harada, the alternation of different spins (S≠s) along the chain is found to give rise to two-peaked static structure factors, signaling the coexistence of different short-range-order configurations. The relevance of our calculations with regard to recent experimental data by Gatteschi et al. in quasi-1D molecular magnetic materials, R (hfac)3 NITEt (R=Gd, Tb, Dy, Ho, Er, . . .), is discussed; hfac is hexafluoro-acetylacetonate and NlTEt is 2-Ethyl-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxyl-3-oxide.
Shi, Kaile; Jiang, Wei; Guo, Anbang; Wang, Kai; Wu, Chuang
2018-06-01
The magnetic and thermodynamic properties of borophene structure have been studied for the first time by Monte Carlo simulation. Two-dimensional borophene structure consisting of seven hexagonal B36 units is described by Ising model. Each B36 basic unit includes three benzene-like with spin-3/2. The general formula for the borophene structure is given. The numerical results of the magnetization, the magnetic susceptibility, the internal energy and the specific heat are studied with various parameters. The possibility to test the predicted magnetism in experiment are illustrated, for instance, the maximum on the magnetization curve. The multiple hysteresis loops and the magnetization plateaus are sensitive to the ferromagnetic or ferrimagnetic exchange coupling in borophene structure. The results show the borophene structure could have applications in spintronics, which deserves further studies in experiments.
Quantum dynamics in transverse-field Ising models from classical networks
Markus Schmitt, Markus Heyl
2018-02-01
Full Text Available The efficient representation of quantum many-body states with classical resources is a key challenge in quantum many-body theory. In this work we analytically construct classical networks for the description of the quantum dynamics in transverse-field Ising models that can be solved efficiently using Monte Carlo techniques. Our perturbative construction encodes time-evolved quantum states of spin-1/2 systems in a network of classical spins with local couplings and can be directly generalized to other spin systems and higher spins. Using this construction we compute the transient dynamics in one, two, and three dimensions including local observables, entanglement production, and Loschmidt amplitudes using Monte Carlo algorithms and demonstrate the accuracy of this approach by comparisons to exact results. We include a mapping to equivalent artificial neural networks, which were recently introduced to provide a universal structure for classical network wave functions.
Frozen into stripes: fate of the critical Ising model after a quench.
Blanchard, T; Picco, M
2013-09-01
In this article we study numerically the final state of the two-dimensional ferromagnetic critical Ising model after a quench to zero temperature. Beginning from equilibrium at T_{c}, the system can be blocked in a variety of infinitely long lived stripe states in addition to the ground state. Similar results have already been obtained for an infinite temperature initial condition and an interesting connection to exact percolation crossing probabilities has emerged. Here we complete this picture by providing an example of stripe states precisely related to initial crossing probabilities for various boundary conditions. We thus show that this is not specific to percolation but rather that it depends on the properties of spanning clusters in the initial state.
Lattice Supersymmetry and Order-Disorder Coexistence in the Tricritical Ising Model
O'Brien, Edward; Fendley, Paul
2018-05-01
We introduce and analyze a quantum spin or Majorana chain with a tricritical Ising point separating a critical phase from a gapped phase with order-disorder coexistence. We show that supersymmetry is not only an emergent property of the scaling limit but also manifests itself on the lattice. Namely, we find explicit lattice expressions for the supersymmetry generators and currents. Writing the Hamiltonian in terms of these generators allows us to find the ground states exactly at a frustration-free coupling. These confirm the coexistence between two (topologically) ordered ground states and a disordered one in the gapped phase. Deforming the model by including explicit chiral symmetry breaking, we find the phases persist up to an unusual chiral phase transition where the supersymmetry becomes exact even on the lattice.
Transverse spin correlations of the random transverse-field Ising model
Iglói, Ferenc; Kovács, István A.
2018-03-01
The critical behavior of the random transverse-field Ising model in finite-dimensional lattices is governed by infinite disorder fixed points, several properties of which have already been calculated by the use of the strong disorder renormalization-group (SDRG) method. Here we extend these studies and calculate the connected transverse-spin correlation function by a numerical implementation of the SDRG method in d =1 ,2 , and 3 dimensions. At the critical point an algebraic decay of the form ˜r-ηt is found, with a decay exponent being approximately ηt≈2 +2 d . In d =1 the results are related to dimer-dimer correlations in the random antiferromagnetic X X chain and have been tested by numerical calculations using free-fermionic techniques.
Self-organization of domain growth in the Ising model with impurities
Andersen, Jørgen Vitting; Mouritsen, Ole G.
1992-01-01
We have studied avalanchelike rearrangements of domain patterns in the two-dimensional Ising model with static impurities, which is quenched to low temperatures. When breaking the up-down symmetry of the spins by a small applied field, the mere fluctuation of a single spin eventually results...... in a cascade of spin flips at the domain boundaries. We have analyzed the lifetime and size distribution functions for the avalanches and related the results to the general phenomena of self-organized criticality and to recent experiments on cellular magnetic domain patterns in magnetic garnet films. Our...... results suggest that the self-organized state in this system appears to be subcritical, in agreement with a recent theory....
Tricritical behavior in the diluted transverse spin-1 Ising model with a longitudinal crystal field
Htoutou, K.; Oubelkacem, A.; Ainane, A.; Saber, M.
2005-01-01
The transverse spin-1 Ising model with a longitudinal crystal field exhibits a tricritical behavior. Within the effective field theory with a probability distribution technique that accounts for the self-spin correlations, we have studied the influence of site dilution on this behavior and have calculated the temperature-transverse field-longitudinal crystal field-concentration phase diagrams and determined, in particular, the influence of the concentration of magnetic atoms c on the tricritical behavior. We have found that the tricritical point appears for large values of the concentration c of magnetic atoms and disappears with the increase in dilution (small values of c). Results for square lattice are calculated numerically and some interesting results are obtained. In certain ranges of values of the strength of the longitudinal crystal field D/J when it becomes sufficiently negative, we found re-entrant phenomenon, which disappears with increase in the value of the strength of the transverse field
Cluster-cluster correlations in the two-dimensional stationary Ising-model
Klassmann, A.
1997-01-01
In numerical integration of the Cahn-Hillard equation, which describes Oswald rising in a two-phase matrix, N. Masbaum showed that spatial correlations between clusters scale with respect to the mean cluster size (itself a function of time). T. B. Liverpool showed by Monte Carlo simulations for the Ising model that the analogous correlations have a similar form. Both demonstrated that immediately around each cluster there is some depletion area followed by something like a ring of clusters of the same size as the original one. More precisely, it has been shown that the distribution of clusters around a given cluster looks like a sinus-curve decaying exponentially with respect to the distance to a constant value
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.
Nonasymptotic form of the recursion relations of the three-dimensional Ising model
Kozlovskii, M.P.
1989-01-01
Approximate recursion relations for the three-dimensional Ising model are obtained in the form of rapidly converging series. The representation of the recursion relations in the form of nonasymptotic series entails the abandonment of traditional perturbation theory based on a Gaussian measure density. The recursion relations proposed in the paper are used to calculate the critical exponent ν of the correlation length. It is shown that the difference form of the recursion relations leads, when higher non-Gaussian basis measures are used, to disappearance of a dependence of the critical exponent ν on s when s > 2 (s is the parameter of the division of the phase space into layers). The obtained results make it possible to calculate explicit expressions for the thermodynamic functions near the phase transition point
Monte Carlo analysis of critical phenomenon of the Ising model on memory stabilizer structures
Viteri, C. Ricardo; Tomita, Yu; Brown, Kenneth R.
2009-01-01
We calculate the critical temperature of the Ising model on a set of graphs representing a concatenated three-bit error-correction code. The graphs are derived from the stabilizer formalism used in quantum error correction. The stabilizer for a subspace is defined as the group of Pauli operators whose eigenvalues are +1 on the subspace. The group can be generated by a subset of operators in the stabilizer, and the choice of generators determines the structure of the graph. The Wolff algorithm, together with the histogram method and finite-size scaling, is used to calculate both the critical temperature and the critical exponents of each structure. The simulations show that the choice of stabilizer generators, both the number and the geometry, has a large effect on the critical temperature.
Dynamical response of the Ising model to the time dependent magnetic field with white noise
Akıncı, Ümit
2018-03-01
The effect of the white noise in time dependent magnetic field on the dynamic behavior of the Ising model has been investigated within the effective field theory based on Glauber type of stochastic process. Discrete white noise has been chosen from both Gaussian and uniform probability distributions. Detailed investigation on probability distribution of dynamical order parameter results that, both type of noise distributions yield the same probability distribution related to the dynamical order parameter, namely Gaussian probability distribution. The variation of the parameters that describe the probability distribution of dynamical order parameter (mean value and standard deviation) with temperature and strength of the noise have been inspected. Also, it has been shown that, rising strength of the noise can induce dynamical phase transition in the system.
Finite-size-scaling analysis of subsystem data in the dilute Ising model
Hennecke, M.
1993-01-01
Monte Carlo simulation results for the magnetization of subsystems of finite lattices are used to determine the critical temperature and a critical exponent of the simple-cubic Ising model with quenched site dilution, at a concentration of p=40%. Particular attention is paid to the effect of the finite size of the systems from which the subsystem results are obtained. This finiteness of the lattices involved is shown to be a source of large deviations of critical temperatures and exponents estimated from subsystem data from their values in the thermodynamic limit. By the use of different lattice sizes, the results T c (40%)=1.209±0.002 and ν(40%)=0.78±0.01 could be extrapolated
Monthus, Cécile; Garel, Thomas
2012-01-01
To avoid the complicated topology of surviving clusters induced by standard strong disorder RG in dimension d > 1, we introduce a modified procedure called ‘boundary strong disorder RG’ where the order of decimations is chosen a priori. We apply this modified procedure numerically to the random transverse field Ising model in dimension d = 2. We find that the location of the critical point, the activated exponent ψ ≃ 0.5 of the infinite-disorder scaling, and the finite-size correlation exponent ν FS ≃ 1.3 are compatible with the values obtained previously using standard strong disorder RG. Our conclusion is thus that strong disorder RG is very robust with respect to changes in the order of decimations. In addition, we analyze the RG flows within the two phases in more detail, to show explicitly the presence of various correlation length exponents: we measure the typical correlation exponent ν typ ≃ 0.64 for the disordered phase (this value is very close to the correlation exponent ν pure Q (d=2)≅0.6 3 of the pure two-dimensional quantum Ising model), and the typical exponent ν h ≃ 1 for the ordered phase. These values satisfy the relations between critical exponents imposed by the expected finite-size scaling properties at infinite-disorder critical points. We also measure, within the disordered phase, the fluctuation exponent ω ≃ 0.35 which is compatible with the directed polymer exponent ω DP (1+1)= 1/3 in (1 + 1) dimensions. (paper)
Linking market interaction intensity of 3D Ising type financial model with market volatility
Fang, Wen; Ke, Jinchuan; Wang, Jun; Feng, Ling
2016-11-01
Microscopic interaction models in physics have been used to investigate the complex phenomena of economic systems. The simple interactions involved can lead to complex behaviors and help the understanding of mechanisms in the financial market at a systemic level. This article aims to develop a financial time series model through 3D (three-dimensional) Ising dynamic system which is widely used as an interacting spins model to explain the ferromagnetism in physics. Through Monte Carlo simulations of the financial model and numerical analysis for both the simulation return time series and historical return data of Hushen 300 (HS300) index in Chinese stock market, we show that despite its simplicity, this model displays stylized facts similar to that seen in real financial market. We demonstrate a possible underlying link between volatility fluctuations of real stock market and the change in interaction strengths of market participants in the financial model. In particular, our stochastic interaction strength in our model demonstrates that the real market may be consistently operating near the critical point of the system.
Highlighting the Structure-Function Relationship of the Brain with the Ising Model and Graph Theory
T. K. Das
2014-01-01
Full Text Available With the advent of neuroimaging techniques, it becomes feasible to explore the structure-function relationships in the brain. When the brain is not involved in any cognitive task or stimulated by any external output, it preserves important activities which follow well-defined spatial distribution patterns. Understanding the self-organization of the brain from its anatomical structure, it has been recently suggested to model the observed functional pattern from the structure of white matter fiber bundles. Different models which study synchronization (e.g., the Kuramoto model or global dynamics (e.g., the Ising model have shown success in capturing fundamental properties of the brain. In particular, these models can explain the competition between modularity and specialization and the need for integration in the brain. Graphing the functional and structural brain organization supports the model and can also highlight the strategy used to process and organize large amount of information traveling between the different modules. How the flow of information can be prevented or partially destroyed in pathological states, like in severe brain injured patients with disorders of consciousness or by pharmacological induction like in anaesthesia, will also help us to better understand how global or integrated behavior can emerge from local and modular interactions.
Crystallization Kinetics within a Generic Modelling Framework
Meisler, Kresten Troelstrup; von Solms, Nicolas; Gernaey, Krist
2013-01-01
An existing generic modelling framework has been expanded with tools for kinetic model analysis. The analysis of kinetics is carried out within the framework where kinetic constitutive models are collected, analysed and utilized for the simulation of crystallization operations. A modelling...... procedure is proposed to gain the information of crystallization operation kinetic model analysis and utilize this for faster evaluation of crystallization operations....
Comment on "Many-body localization in Ising models with random long-range interactions"
Maksymov, Andrii O.; Rahman, Noah; Kapit, Eliot; Burin, Alexander L.
2017-11-01
This Comment is dedicated to the investigation of many-body localization in a quantum Ising model with long-range power-law interactions r-α, relevant for a variety of systems ranging from electrons in Anderson insulators to spin excitations in chains of cold atoms. It has earlier been argued [arXiv:cond-mat/0611387 (2005); Phys. Rev. B 91, 094202 (2015), 10.1103/PhysRevB.91.094202] that this model obeys the dimensional constraint suggesting the delocalization of all finite-temperature states in the thermodynamic limit for α ≤2 d in a d -dimensional system. This expectation conflicts with the recent numerical studies of the specific interacting spin model of Li et al. [Phys. Rev. A 94, 063625 (2016), 10.1103/PhysRevA.94.063625]. To resolve this controversy we reexamine the model of Li et al. [Phys. Rev. A 94, 063625 (2016), 10.1103/PhysRevA.94.063625] and demonstrate that the infinite-temperature states there obey the dimensional constraint. The earlier developed scaling theory for the critical system size required for delocalization is extended to small exponents 0 ≤α ≤d . The disagreements between the two works are explained by the nonstandard selection of investigated states in the ordered phase in the work of Li et al. [Phys. Rev. A 94, 063625 (2016)type="doi" specific-use="suppress-display">10.1103/PhysRevA.94.063625].
Evaluation of tranche in securitization and long-range Ising model
Kitsukawa, K.; Mori, S.; Hisakado, M.
2006-08-01
This econophysics work studies the long-range Ising model of a finite system with N spins and the exchange interaction J/N and the external field H as a model for homogeneous credit portfolio of assets with default probability Pd and default correlation ρd. Based on the discussion on the (J,H) phase diagram, we develop a perturbative calculation method for the model and obtain explicit expressions for Pd,ρd and the normalization factor Z in terms of the model parameters N and J,H. The effect of the default correlation ρd on the probabilities P(Nd,ρd) for Nd defaults and on the cumulative distribution function D(i,ρd) are discussed. The latter means the average loss rate of the“tranche” (layered structure) of the securities (e.g. CDO), which are synthesized from a pool of many assets. We show that the expected loss rate of the subordinated tranche decreases with ρd and that of the senior tranche increases linearly, which are important in their pricing and ratings.
Ferrimagnetism and compensation points in a decorated 3D Ising model
Oitmaa, J.; Zheng, W.
2003-01-01
Full text: Ferrimagnets are materials where ions on different sublattices have opposing magnetic moments which do not exactly cancel even at zero temperature. An intriguing possibility then is the existence of a compensation point, below the Curie temperature, where the net moment changes sign. This has obvious technological significance. Most theoretical studies of such systems have used mean-field approaches, making it difficult to distinguish real properties of the model from artefacts of the approximation. For this reason a number of simpler models have been proposed, where treatments beyond mean-field theory are possible. Of particular interest are decorated systems, which can be mapped exactly onto simpler models and, in this way, either solved exactly or to a high degree of numerical precision. We use this approach to study a ferrimagnetic Ising system with spins 1/2 at the sites of a simple cubic lattice and spins S=1 or 3/2 located on the bonds. Our results, which are exact to high numerical precision, show a number of surprising and interesting features: for S=1 the possibility of zero, one or two compensation points, re-entrant behaviour, and up to three critical points; for S=3/2 always a simple critical point and zero or one compensation point
Finite-range-scaling analysis of metastability in an Ising model with long-range interactions
Gorman, B.M.; Rikvold, P.A.; Novotny, M.A.
1994-01-01
We apply both a scalar field theory and a recently developed transfer-matrix method to study the stationary properties of metastability in a two-state model with weak, long-range interactions: the Nx∞ quasi-one-dimensional Ising model. Using the field theory, we find the analytic continuation f of the free energy across the first-order transition, assuming that the system escapes the metastable state by the nucleation of noninteracting droplets. We find that corrections to the field dependence are substantial, and, by solving the Euler-Lagrange equation for the model numerically, we have verified the form of the free-energy cost of nucleation, including the first correction. In the transfer-matrix method, we associate with the subdominant eigenvectors of the transfer matrix a complex-valued ''constrained'' free-energy density f α computed directly from the matrix. For the eigenvector with an associated magnetization most strongly opposed to the applied magnetic field, f α exhibits finite-range scaling behavior in agreement with f over a wide range of temperatures and fields, extending nearly to the classical spinodal. Some implications of these results for numerical studies of metastability are discussed
Quantum Quench Dynamics in the Transverse Field Ising Model at Non-zero Temperatures
Abeling, Nils; Kehrein, Stefan
The recently discovered Dynamical Phase Transition denotes non-analytic behavior in the real time evolution of quantum systems in the thermodynamic limit and has been shown to occur in different systems at zero temperature [Heyl et al., Phys. Rev. Lett. 110, 135704 (2013)]. In this talk we present the extension of the analysis to non-zero temperature by studying a generalized form of the Loschmidt echo, the work distribution function, of a quantum quench in the transverse field Ising model. Although the quantitative behavior at non-zero temperatures still displays features derived from the zero temperature non-analyticities, it is shown that in this model dynamical phase transitions do not exist if T > 0 . This is a consequence of the system being initialized in a thermal state. Moreover, we elucidate how the Tasaki-Crooks-Jarzynski relation can be exploited as a symmetry relation for a global quench or to obtain the change of the equilibrium free energy density. This work was supported through CRC SFB 1073 (Project B03) of the Deutsche Forschungsgemeinschaft (DFG).
D.Ivaneyko
2005-01-01
Full Text Available We apply numerical simulations to study of the criticality of the 3D Ising model with random site quenched dilution. The emphasis is given to the issues not being discussed in detail before. In particular, we attempt a comparison of different Monte Carlo techniques, discussing regions of their applicability and advantages/disadvantages depending on the aim of a particular simulation set. Moreover, besides evaluation of the critical indices we estimate the universal ratio Γ+/Γ- for the magnetic susceptibility critical amplitudes. Our estimate Γ+/Γ- = 1.67 ± 0.15 is in a good agreement with the recent MC analysis of the random-bond Ising model giving further support that both random-site and random-bond dilutions lead to the same universality class.
Mukhamedov, Farrukh, E-mail: far75m@yandex.ru, E-mail: farrukh.m@uaeu.ac.ae [International Islamic University Malaysia, Department of Computational and Theoretical Sciences, Faculty of Science (Malaysia); Barhoumi, Abdessatar, E-mail: abdessatar.barhoumi@ipein.rnu.tn [Carthage University, Department of Mathematics, Nabeul Preparatory Engineering Institute (Tunisia); Souissi, Abdessatar, E-mail: s.abdessatar@hotmail.fr [Carthage University, Department of Mathematics, Marsa Preparatory Institute for Scientific and Technical Studies (Tunisia)
2016-12-15
It is known that the disordered phase of the classical Ising model on the Caley tree is extreme in some region of the temperature. If one considers the Ising model with competing interactions on the same tree, then about the extremity of the disordered phase there is no any information. In the present paper, we first aiming to analyze the correspondence between Gibbs measures and QMC’s on trees. Namely, we establish that states associated with translation invariant Gibbs measures of the model can be seen as diagonal quantum Markov chains on some quasi local algebra. Then as an application of the established correspondence, we study some algebraic property of the disordered phase of the Ising model with competing interactions on the Cayley tree of order two. More exactly, we prove that a state corresponding to the disordered phase is not quasi-equivalent to other states associated with translation invariant Gibbs measures. This result shows how the translation invariant states relate to each other, which is even a new phenomena in the classical setting. To establish the main result we basically employ methods of quantum Markov chains.
Chemical kinetics and combustion modeling
Miller, J.A. [Sandia National Laboratories, Livermore, CA (United States)
1993-12-01
The goal of this program is to gain qualitative insight into how pollutants are formed in combustion systems and to develop quantitative mathematical models to predict their formation rates. The approach is an integrated one, combining low-pressure flame experiments, chemical kinetics modeling, theory, and kinetics experiments to gain as clear a picture as possible of the process in question. These efforts are focused on problems involved with the nitrogen chemistry of combustion systems and on the formation of soot and PAH in flames.
Quantum correlated cluster mean-field theory applied to the transverse Ising model.
Zimmer, F M; Schmidt, M; Maziero, Jonas
2016-06-01
Mean-field theory (MFT) is one of the main available tools for analytical calculations entailed in investigations regarding many-body systems. Recently, there has been a surge of interest in ameliorating this kind of method, mainly with the aim of incorporating geometric and correlation properties of these systems. The correlated cluster MFT (CCMFT) is an improvement that succeeded quite well in doing that for classical spin systems. Nevertheless, even the CCMFT presents some deficiencies when applied to quantum systems. In this article, we address this issue by proposing the quantum CCMFT (QCCMFT), which, in contrast to its former approach, uses general quantum states in its self-consistent mean-field equations. We apply the introduced QCCMFT to the transverse Ising model in honeycomb, square, and simple cubic lattices and obtain fairly good results both for the Curie temperature of thermal phase transition and for the critical field of quantum phase transition. Actually, our results match those obtained via exact solutions, series expansions or Monte Carlo simulations.
Test of quantum thermalization in the two-dimensional transverse-field Ising model.
Blaß, Benjamin; Rieger, Heiko
2016-12-01
We study the quantum relaxation of the two-dimensional transverse-field Ising model after global quenches with a real-time variational Monte Carlo method and address the question whether this non-integrable, two-dimensional system thermalizes or not. We consider both interaction quenches in the paramagnetic phase and field quenches in the ferromagnetic phase and compare the time-averaged probability distributions of non-conserved quantities like magnetization and correlation functions to the thermal distributions according to the canonical Gibbs ensemble obtained with quantum Monte Carlo simulations at temperatures defined by the excess energy in the system. We find that the occurrence of thermalization crucially depends on the quench parameters: While after the interaction quenches in the paramagnetic phase thermalization can be observed, our results for the field quenches in the ferromagnetic phase show clear deviations from the thermal system. These deviations increase with the quench strength and become especially clear comparing the shape of the thermal and the time-averaged distributions, the latter ones indicating that the system does not completely lose the memory of its initial state even for strong quenches. We discuss our results with respect to a recently formulated theorem on generalized thermalization in quantum systems.
The square lattice Ising model on the rectangle II: finite-size scaling limit
Hucht, Alfred
2017-06-01
Based on the results published recently (Hucht 2017 J. Phys. A: Math. Theor. 50 065201), the universal finite-size contributions to the free energy of the square lattice Ising model on the L× M rectangle, with open boundary conditions in both directions, are calculated exactly in the finite-size scaling limit L, M\\to∞ , T\\to Tc , with fixed temperature scaling variable x\\propto(T/Tc-1)M and fixed aspect ratio ρ\\propto L/M . We derive exponentially fast converging series for the related Casimir potential and Casimir force scaling functions. At the critical point T=Tc we confirm predictions from conformal field theory (Cardy and Peschel 1988 Nucl. Phys. B 300 377, Kleban and Vassileva 1991 J. Phys. A: Math. Gen. 24 3407). The presence of corners and the related corner free energy has dramatic impact on the Casimir scaling functions and leads to a logarithmic divergence of the Casimir potential scaling function at criticality.
Phase transitions in an Ising model for monolayers of coadsorbed atoms
Lee, H.H.; Landau, D.P.
1979-01-01
A Monte Carlo method is used to study a simple S=1 Ising (lattice-gas) model appropriate for monolayers composed of two kinds of atoms on cubic metal substrates H = K/sub nn/ Σ/sub nn/ S 2 /sub i/zS 2 /sub j/z + J/sub nnn/ Σ/sub nnn/ S/sub i/zS/sub j/z + Δ Σ/sub i/ S 2 /sub i/z (where nn denotes nearest-neighbor and nnn next-nearest-neighbor pairs). The phase diagram is determined over a wide range of Δ and T for K/sub nn//J/sub nnn/=1/4. For small (or negative) Δ we find an antiferromagnetic 2 x 1 ordered phase separated from the disordered state by a line of second-order phase transitions. The 2 x 1 phase is separated by a line of first-order transitions from a c (2 x 2) phase which appears for larger Δ. The 2 x 1 and c (2 x 2) phases become simultaneously critical at a bicritical point and the phase boundary of the c (2 x 2) → disordered transition shows a tricritical point
Test of quantum thermalization in the two-dimensional transverse-field Ising model
Blaß, Benjamin; Rieger, Heiko
2016-01-01
We study the quantum relaxation of the two-dimensional transverse-field Ising model after global quenches with a real-time variational Monte Carlo method and address the question whether this non-integrable, two-dimensional system thermalizes or not. We consider both interaction quenches in the paramagnetic phase and field quenches in the ferromagnetic phase and compare the time-averaged probability distributions of non-conserved quantities like magnetization and correlation functions to the thermal distributions according to the canonical Gibbs ensemble obtained with quantum Monte Carlo simulations at temperatures defined by the excess energy in the system. We find that the occurrence of thermalization crucially depends on the quench parameters: While after the interaction quenches in the paramagnetic phase thermalization can be observed, our results for the field quenches in the ferromagnetic phase show clear deviations from the thermal system. These deviations increase with the quench strength and become especially clear comparing the shape of the thermal and the time-averaged distributions, the latter ones indicating that the system does not completely lose the memory of its initial state even for strong quenches. We discuss our results with respect to a recently formulated theorem on generalized thermalization in quantum systems. PMID:27905523
High order Fuchsian equations for the square lattice Ising model: χ-tilde(5)
Bostan, A; Boukraa, S; Guttmann, A J; Jensen, I; Hassani, S; Zenine, N; Maillard, J-M
2009-01-01
We consider the Fuchsian linear differential equation obtained (modulo a prime) for χ-tilde (5) , the five-particle contribution to the susceptibility of the square lattice Ising model. We show that one can understand the factorization of the corresponding linear differential operator from calculations using just a single prime. A particular linear combination of χ-tilde (1) and χ-tilde (3) can be removed from χ-tilde (5) and the resulting series is annihilated by a high order globally nilpotent linear ODE. The corresponding (minimal order) linear differential operator, of order 29, splits into factors of small orders. A fifth-order linear differential operator occurs as the left-most factor of the 'depleted' differential operator and it is shown to be equivalent to the symmetric fourth power of L E , the linear differential operator corresponding to the elliptic integral E. This result generalizes what we have found for the lower order terms χ-tilde (3) and χ-tilde (4) . We conjecture that a linear differential operator equivalent to a symmetric (n - 1) th power of L E occurs as a left-most factor in the minimal order linear differential operators for all χ-tilde (n) 's
Approximate critical surface of the bond-mixed square-lattice Ising model
Levy, S.V.F.; Tsallis, C.; Curado, E.M.F.
1979-09-01
The critical surface of the quenched bond-mixed square-lattice spin-1/2 first-neighbour-interaction ferromagnetic Ising model (with exchange interactions J 1 and J 2 ) has been investigated. Through renormalization group and heuristical procedures, a very accurate (error inferior to 3x10 -4 in the variables t sub(i) = th (J sub(i)/k sub(b)T)) approximate numerical proposal for all points of this surface is presented. This proposal simultaneously satisfies all the available exact results concerning the surface, namely P sub(c) = 1/2, t sub(c) = √2 - 1, both limiting slopes in these points, and t 2 = (1-t 1 )/(1+t 1 ) for p = 1/2. Furthemore an analytic approximation (namely (1 - p) 1n(1 + t 1 ) + p 1n(1 + t 2 ) =(1/2)1n 2) is also proposed. In what concerns the available exact results, it only fails in reproducing one of the two limiting slopes, where there is an error of 1% in the derivative: these facts result in an estimated error less than 10 -3 (in the t-variables) for any points in the surface. (Author) [pt
Elementary excitations and the phase transition in the bimodal Ising spin glass model
Jinuntuya, N; Poulter, J
2012-01-01
We show how the nature of the phase transition in the two-dimensional bimodal Ising spin glass model can be understood in terms of elementary excitations. Although the energy gap with the ground state is expected to be 4J in the ferromagnetic phase, a gap 2J is in fact found if the finite lattice is wound around a cylinder of odd circumference L. This 2J gap is really a finite size effect that should not occur in the thermodynamic limit of the ferromagnet. The spatial influence of the frustration must be limited and not wrap around the system if L is large enough. In essence, the absence of 2J excitations defines the ferromagnetic phase without recourse to calculating the magnetization or investigating the system response to domain wall defects. This study directly investigates the response to temperature. We also estimate the defect concentration where the phase transition to the spin glass state occurs. The value p c = 0.1045(11) is in reasonable agreement with the literature
de Léséleuc, Sylvain; Weber, Sebastian; Lienhard, Vincent; Barredo, Daniel; Büchler, Hans Peter; Lahaye, Thierry; Browaeys, Antoine
2018-03-01
We study a system of atoms that are laser driven to n D3 /2 Rydberg states and assess how accurately they can be mapped onto spin-1 /2 particles for the quantum simulation of anisotropic Ising magnets. Using nonperturbative calculations of the pair potentials between two atoms in the presence of electric and magnetic fields, we emphasize the importance of a careful selection of experimental parameters in order to maintain the Rydberg blockade and avoid excitation of unwanted Rydberg states. We benchmark these theoretical observations against experiments using two atoms. Finally, we show that in these conditions, the experimental dynamics observed after a quench is in good agreement with numerical simulations of spin-1 /2 Ising models in systems with up to 49 spins, for which numerical simulations become intractable.
Degenerate Ising model for atomistic simulation of crystal-melt interfaces
Schebarchov, D.; Schulze, T. P.; Hendy, S. C.
2014-01-01
One of the simplest microscopic models for a thermally driven first-order phase transition is an Ising-type lattice system with nearest-neighbour interactions, an external field, and a degeneracy parameter. The underlying lattice and the interaction coupling constant control the anisotropic energy of the phase boundary, the field strength represents the bulk latent heat, and the degeneracy quantifies the difference in communal entropy between the two phases. We simulate the (stochastic) evolution of this minimal model by applying rejection-free canonical and microcanonical Monte Carlo algorithms, and we obtain caloric curves and heat capacity plots for square (2D) and face-centred cubic (3D) lattices with periodic boundary conditions. Since the model admits precise adjustment of bulk latent heat and communal entropy, neither of which affect the interface properties, we are able to tune the crystal nucleation barriers at a fixed degree of undercooling and verify a dimension-dependent scaling expected from classical nucleation theory. We also analyse the equilibrium crystal-melt coexistence in the microcanonical ensemble, where we detect negative heat capacities and find that this phenomenon is more pronounced when the interface is the dominant contributor to the total entropy. The negative branch of the heat capacity appears smooth only when the equilibrium interface-area-to-volume ratio is not constant but varies smoothly with the excitation energy. Finally, we simulate microcanonical crystal nucleation and subsequent relaxation to an equilibrium Wulff shape, demonstrating the model's utility in tracking crystal-melt interfaces at the atomistic level
Degenerate Ising model for atomistic simulation of crystal-melt interfaces
Schebarchov, D., E-mail: Dmitri.Schebarchov@gmail.com [University Chemical Laboratories, Lensfield Road, Cambridge CB2 1EW (United Kingdom); Schulze, T. P., E-mail: schulze@math.utk.edu [Department of Mathematics, University of Tennessee, Knoxville, Tennessee 37996-1300 (United States); Hendy, S. C. [The MacDiarmid Institute for Advanced Materials and Nanotechnology, School of Chemical and Physical Sciences, Victoria University of Wellington, Wellington 6140 (New Zealand); Department of Physics, University of Auckland, Auckland 1010 (New Zealand)
2014-02-21
One of the simplest microscopic models for a thermally driven first-order phase transition is an Ising-type lattice system with nearest-neighbour interactions, an external field, and a degeneracy parameter. The underlying lattice and the interaction coupling constant control the anisotropic energy of the phase boundary, the field strength represents the bulk latent heat, and the degeneracy quantifies the difference in communal entropy between the two phases. We simulate the (stochastic) evolution of this minimal model by applying rejection-free canonical and microcanonical Monte Carlo algorithms, and we obtain caloric curves and heat capacity plots for square (2D) and face-centred cubic (3D) lattices with periodic boundary conditions. Since the model admits precise adjustment of bulk latent heat and communal entropy, neither of which affect the interface properties, we are able to tune the crystal nucleation barriers at a fixed degree of undercooling and verify a dimension-dependent scaling expected from classical nucleation theory. We also analyse the equilibrium crystal-melt coexistence in the microcanonical ensemble, where we detect negative heat capacities and find that this phenomenon is more pronounced when the interface is the dominant contributor to the total entropy. The negative branch of the heat capacity appears smooth only when the equilibrium interface-area-to-volume ratio is not constant but varies smoothly with the excitation energy. Finally, we simulate microcanonical crystal nucleation and subsequent relaxation to an equilibrium Wulff shape, demonstrating the model's utility in tracking crystal-melt interfaces at the atomistic level.
Kiely, Thomas G.; Freericks, J. K.
2018-02-01
In a large transverse field, there is an energy cost associated with flipping spins along the axis of the field. This penalty can be employed to relate the transverse-field Ising model in a large field to the X Y model in no field (when measurements are performed at the proper stroboscopic times). We describe the details for how this relationship works and, in particular, we also show under what circumstances it fails. We examine wave-function overlap between the two models and observables, such as spin-spin Green's functions. In general, the mapping is quite robust at short times, but will ultimately fail if the run time becomes too long. There is also a tradeoff between the length of time one can run a simulation out to and the time jitter of the stroboscopic measurements that must be balanced when planning to employ this mapping.
Modeling the isochronal crystallization kinetics
Sahay, S.S.; Krishnan, Karthik
2004-01-01
The classical Johnson-Mehl-Avrami-Kolmogorov (JMAK) model, originally formulated for the isothermal condition, is often used in conjunction with additivity principle for modeling the non-isothermal crystallization kinetics. This approach at times results in significant differences between the model prediction and experimental data. In this article, a modification to this approach has been imposed via an additional functional relationship between the activation energy and heating rate. The methodology has been validated with experimental isochronal crystallization kinetic data in Se 71 Te 20 Sb 9 glass and Ge 20 Te 80 systems. It has been shown that the functional relationship between heating rate and activation energy, ascribed to the reduction in apparent activation energy due to increasing non-isothermality, provides better phenomenological description and therefore improves the prediction capability of the JMAK model under isochronal condition
Generation of Control by SU(2) Reduction for the Anisotropic Ising Model
Delgado, F
2016-01-01
Control of entanglement is fundamental in Quantum Information and Quantum Computation towards scalable spin-based quantum devices. For magnetic systems, Ising interaction with driven magnetic fields modifies entanglement properties of matter based quantum systems. This work presents a procedure for dynamics reduction on SU(2) subsystems using a non-local description. Some applications for Quantum Information are discussed. (paper)
Exact solution of the Ising model in a fully frustrated two-dimensional lattice
Silva, N.R. da; Medeiros e Silva Filho, J.
1983-01-01
A straightforward extension of the Onsager method allows us to solve exactly the Ising problem in a fully frustated square lattice in the absence of external magnetic field. It is shown there is no singularity in the thermodynamic functions for non-zero temperature. (Author) [pt
From tricritical Ising to critical Ising by thermodynamic Bethe ansatz
Zamolodchikov, A.B.
1991-01-01
A simple factorized scattering theory is suggested for the massless Goldstone fermions of the trajectory flowing from the tricritical Ising fixed point to the critical Ising one. The thermodynamic Bethe ansatz approach is applied to this scattering theory to support its interpretation both analytically and numerically. As a generalization a sequence of massless TBA systems is proposed which seems relevant for the trajectories interpolating between two successive minimal CFT models M p and M p-1 . (orig.)
Effective potential of the three-dimensional Ising model: The pseudo-ɛ expansion study
Sokolov, A. I.; Kudlis, A.; Nikitina, M. A.
2017-08-01
The ratios R2k of renormalized coupling constants g2k that enter the effective potential and small-field equation of state acquire the universal values at criticality. They are calculated for the three-dimensional scalar λϕ4 field theory (3D Ising model) within the pseudo-ɛ expansion approach. Pseudo-ɛ expansions for the critical values of g6, g8, g10, R6 =g6 / g42, R8 =g8 / g43 and R10 =g10 / g44 originating from the five-loop renormalization group (RG) series are derived. Pseudo-ɛ expansions for the sextic coupling have rapidly diminishing coefficients, so addressing Padé approximants yields proper numerical results. Use of Padé-Borel-Leroy and conformal mapping resummation techniques further improves the accuracy leading to the values R6* = 1.6488 and R6* = 1.6490 which are in a brilliant agreement with the result of advanced lattice calculations. For the octic coupling the numerical structure of the pseudo-ɛ expansions is less favorable. Nevertheless, the conform-Borel resummation gives R8* = 0.868, the number being close to the lattice estimate R8* = 0.871 and compatible with the result of 3D RG analysis R8* = 0.857. Pseudo-ɛ expansions for R10* and g10* are also found to have much smaller coefficients than those of the original RG series. They remain, however, fast growing and big enough to prevent obtaining fair numerical estimates.
Colomo, F.; Mussardo, G.
1992-01-01
In this paper, the authors compute the S matrix of the tricritical Ising model perturbed by the subleading magnetic operator using Smirnov's RSOS reduction of the Izergin-Korepin model. The massive model contains kink excitations which interpolate between two degenerate asymmetric vacua. As a consequence of the different structure of the two vacua, the crossing symmetry is implemented in a nontrivial way. The authors use finite-size techniques to compare their results with the numerical data obtained by the truncated conformal space approach and find good agreement
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....
Bouttier, J; Francesco, P Di; Guitter, E
2007-01-01
We introduce Eulerian maps with blocked edges as a general way to implement statistical matter models on random maps by a modification of intrinsic distances. We show how to code these dressed maps by means of mobiles, i.e. decorated trees with labelled vertices, leading to a closed system of recursion relations for their generating functions. We discuss particular solvable cases in detail, as well as various applications of our method to several statistical systems such as spanning trees on quadrangulations, mutually excluding particles on Eulerian triangulations or the Ising model on quadrangulations
Minimal duality breaking in the Kallen-Lehman approach to 3D Ising model: A numerical test
Astorino, Marco; Canfora, Fabrizio; Martinez, Cristian; Parisi, Luca
2008-01-01
A Kallen-Lehman approach to 3D Ising model is analyzed numerically both at low and high temperatures. It is shown that, even assuming a minimal duality breaking, one can fix three parameters of the model to get a very good agreement with the Monte Carlo results at high temperatures. With the same parameters the agreement is satisfactory both at low and near critical temperatures. How to improve the agreement with Monte Carlo results by introducing a more general duality breaking is shortly discussed
A kinetic model for hydrodesulfurisation
Sau, M.; Narasimhan, C.S.L.; Verma, R.P. [Indian Oil Corporation Limited, Research and Development Centre, Faridabad (India)
1997-07-01
Due to stringent environmental considerations and related insistence on low sulfur fuels, hydrodesulfurisation has emerged as an important component of any refining scheme globally. The process is used ranging from Naphta/Kerosine hydrotreating to heavy oil hydrotreating. Processes such as Deep gas oil desulfurisation aiming at reduction of sulfur levels to less than 500 ppm have emerged as major players in the scenario. Hydrodesulfurisation (HDS) involves parallel desulfurisation of different organo-sulfur compounds present in the complex petroleum mixtures. In order to design, monitor, optimise and control the HDS reactor, it is necessary to have a detailed, yet simple model which follows the reaction chemistry accurately. In the present paper, a kinetic model is presented for HDS using continuum theory of lumping. The sulfur distribution in the reaction mixture is treated as continuum and parallel reaction networks are devised for kinetic modelling using continuum theory of lumping approach. The model based on the above approach follows the HDS chemistry reasonably well and hence the model parameters are almost feed invariant. Methods are also devised to incorporate heat and pressure effects into the model. The model has been validated based on commercial kero-HDS data. It is found that the model predictions agree with the experimental/commercial data. 17 refs.
Kinetic modelling of enzymatic starch hydrolysis
Bednarska, K.A.
2015-01-01
Kinetic modelling of enzymatic starch hydrolysis – a summary
K.A. Bednarska
The dissertation entitled ‘Kinetic modelling of enzymatic starch hydrolysis’ describes the enzymatic hydrolysis and kinetic modelling of liquefaction and saccharification of wheat starch.
LeVine, Michael V; Weinstein, Harel
2015-05-01
In performing their biological functions, molecular machines must process and transmit information with high fidelity. Information transmission requires dynamic coupling between the conformations of discrete structural components within the protein positioned far from one another on the molecular scale. This type of biomolecular "action at a distance" is termed allostery . Although allostery is ubiquitous in biological regulation and signal transduction, its treatment in theoretical models has mostly eschewed quantitative descriptions involving the system's underlying structural components and their interactions. Here, we show how Ising models can be used to formulate an approach to allostery in a structural context of interactions between the constitutive components by building simple allosteric constructs we termed Allosteric Ising Models (AIMs). We introduce the use of AIMs in analytical and numerical calculations that relate thermodynamic descriptions of allostery to the structural context, and then show that many fundamental properties of allostery, such as the multiplicative property of parallel allosteric channels, are revealed from the analysis of such models. The power of exploring mechanistic structural models of allosteric function in more complex systems by using AIMs is demonstrated by building a model of allosteric signaling for an experimentally well-characterized asymmetric homodimer of the dopamine D2 receptor.
Jullien, R.; Pfeuty, P.; Fields, J.N.; Doniach, S.
1978-01-01
A zero-temperature real-space renormalization-group method is presented and applied to the quantum Ising model with a transverse field in one dimension. The transition between the low-field and high-field regimes is studied. Magnetization components, spin correlation functions, and critical exponents are derived and checked against the exact results. It is shown that increasing the size of the blocks in the iterative procedure yields more accurate results, especially for the critical ''magnetic'' exponents near the transition
Zimmer, F.M.; Magalhaes, S.G.
2007-01-01
The one-step replica symmetry breaking is used to study the competition between spin glass (SG) and antiferromagnetic order (AF) in two-sublattice fermionic Ising SG models in the presence of a transverse Γ and a parallel H magnetic fields. Inter- and intra-sublattice exchange interactions following Gaussian distributions are considered. The problem is formulated in a Grassmann path integral formalism within the static ansatz. Results show that H favors the non-ergodic mixed phase (AF+SG) and it destroys the AF. The Γ suppresses the magnetic orders, and the intra-sublattice interaction can introduce a discontinuous phase transition
Deviren, Bayram [Institute of Science, Erciyes University, Kayseri 38039 (Turkey); Canko, Osman [Department of Physics, Erciyes University, Kayseri 38039 (Turkey); Keskin, Mustafa [Department of Physics, Erciyes University, Kayseri 38039 (Turkey)], E-mail: keskin@erciyes.edu.tr
2008-09-15
The Ising model with three alternative layers on the honeycomb and square lattices is studied by using the effective-field theory with correlations. We consider that the nearest-neighbor spins of each layer are coupled ferromagnetically and the adjacent spins of the nearest-neighbor layers are coupled either ferromagnetically or anti-ferromagnetically depending on the sign of the bilinear exchange interactions. We investigate the thermal variations of the magnetizations and present the phase diagrams. The phase diagrams contain the paramagnetic, ferromagnetic and anti-ferromagnetic phases, and the system also exhibits a tricritical behavior.
Deviren, Bayram; Canko, Osman; Keskin, Mustafa
2008-01-01
The Ising model with three alternative layers on the honeycomb and square lattices is studied by using the effective-field theory with correlations. We consider that the nearest-neighbor spins of each layer are coupled ferromagnetically and the adjacent spins of the nearest-neighbor layers are coupled either ferromagnetically or anti-ferromagnetically depending on the sign of the bilinear exchange interactions. We investigate the thermal variations of the magnetizations and present the phase diagrams. The phase diagrams contain the paramagnetic, ferromagnetic and anti-ferromagnetic phases, and the system also exhibits a tricritical behavior
Boulatov, D.V.; Kazakov, V.A.
1987-01-01
We investigate the critical properties of a recently proposed exactly soluble Ising model on a planar random dynamical lattice representing a regularization of the zero-dimensional string with internal fermions. The sum over all lattices gives rise to a new quantum degree of freedom - fluctuation of the metric. The whole system of critical exponents is found: α = -1, β = 1/2, γ = 2, δ = 5, v . D = 3. To test the universality we have used the planar graphs with the coordination number equal to 4 (Φ 4 theory graphs) as well as with the equal to 3 (Φ 3 theory graphs or triangulations). The critical exponents coincide for both cases. (orig.)
Wetting and layering transitions of a spin-1/2 Ising model in a random transverse field
Bahmad, L.; Benyoussef, A.; El-Kenz, A.; Ez-Zahraouy, H.
2000-09-01
The effect of a random transverse field (RTF) on the wetting and layering transitions of a spin-1/2 Ising model, in the presence of bulk and surface fields, is studied within an effective field theory by using the differential operator technique. Indeed, the dependencies of the wetting temperature and wetting transverse field on the probability of the presence of a transverse field are established. For specific values of the surface field we show the existence of a critical probability p, above which wetting and layering transitions disappear. (author)
Dahmen, Bernd
1994-01-01
A systematic method to obtain strong coupling expansions for scattering quantities in hamiltonian lattice field theories is presented. I develop the conceptual ideas for the case of the hamiltonian field theory analogue of the Ising model, in d space and one time dimension. The main result is a convergent series representation for the scattering states and the transition matrix. To be explicit, the special cases of d=1 and d=3 spatial dimensions are discussed in detail. I compute the next-to-leading order approximation for the phase shifts. The application of the method to investigate low-energy scattering phenomena in lattice gauge theory and QCD is proposed. ((orig.))
Huang, W C; Huo, L; Tian, G; Qian, H R; Gao, X S; Qin, M H; Liu, J-M
2012-01-01
The magnetization behaviors and spin configurations of the classical Ising model on a Shastry-Sutherland lattice are investigated using Monte Carlo simulations, in order to understand the fascinating magnetization plateaus observed in TmB 4 and other rare-earth tetraborides. The simulations reproduce the 1/2 magnetization plateau by taking into account the dipole-dipole interaction. In addition, a narrow 2/3 magnetization step at low temperature is predicted in our simulation. The multi-step magnetization can be understood as the consequence of the competitions among the spin-exchange interaction, the dipole-dipole interaction, and the static magnetic energy.
Experimental mathematics on the magnetic susceptibility of the square lattice Ising model
Boukraa, S [LPTHIRM and Departement d' Aeronautique, Universite de Blida (Algeria); Guttmann, A J; Jensen, I [ARC Centre of Excellence for Mathematics and Statistics of Complex Systems, Department of Mathematics and Statistics, University of Melbourne, Victoria 3010 (Australia); Hassani, S; Zenine, N [Centre de Recherche Nucleaire d' Alger, 2 Bd. Frantz Fanon, BP 399, 16000 Alger (Algeria); Maillard, J-M [LPTMC, Universite de Paris, Tour 24, 4eme etage, case 121, 4 Place Jussieu, 75252 Paris Cedex 05 (France); Nickel, B [Department of Physics, University of Guelph, Guelph, Ontario N1G 2W1 (Canada)], E-mail: boukraa@mail.univ-blida.dz, E-mail: tonyg@ms.unimelb.edu.au, E-mail: I.Jensen@ms.unimelb.edu.au, E-mail: maillard@lptmc.jussieu.fr, E-mail: maillard@lptl.jussieu.fr, E-mail: njzenine@yahoo.com
2008-11-14
We calculate very long low- and high-temperature series for the susceptibility {chi} of the square lattice Ising model as well as very long series for the five-particle contribution {chi}{sup (5)} and six-particle contribution {chi}{sup (6)}. These calculations have been made possible by the use of highly optimized polynomial time modular algorithms and a total of more than 150 000 CPU hours on computer clusters. The series for {chi} (low- and high-temperature regimes), {chi}{sup (5)} and {chi}{sup (6)} are now extended to 2000 terms. In addition, for {chi}{sup (5)}, 10 000 terms of the series are calculated modulo a single prime, and have been used to find the linear ODE satisfied by {chi}{sup (5)} modulo a prime. A diff-Pade analysis of the 2000 terms series for {chi}{sup (5)} and {chi}{sup (6)} confirms to a very high degree of confidence previous conjectures about the location and strength of the singularities of the n-particle components of the susceptibility, up to a small set of 'additional' singularities. The exponents at all the singularities of the Fuchsian linear ODE of {chi}{sup (5)} and the (as yet unknown) ODE of {chi}{sup (6)} are given: they are all rational numbers. We find the presence of singularities at w = 1/2 for the linear ODE of {chi}{sup (5)}, and w{sup 2} = 1/8 for the ODE of {chi}{sup (6)}, which are not singularities of the 'physical' {chi}{sup (5)} and {chi}{sup (6)}, that is to say the series solutions of the ODE's which are analytic at w = 0. Furthermore, analysis of the long series for {chi}{sup (5)} (and {chi}{sup (6)}) combined with the corresponding long series for the full susceptibility {chi} yields previously conjectured singularities in some {chi}{sup (n)}, n {>=} 7. The exponents at all these singularities are also seen to be rational numbers. We also present a mechanism of resummation of the logarithmic singularities of the {chi}{sup (n)} leading to the known power-law critical behaviour occurring in
Damage spreading at the corner-filling transition in the two-dimensional Ising model
Rubio Puzzo, M Leticia; Albano, Ezequiel V
2007-01-01
The propagation of damage on the square Ising lattice with a corner geometry is studied by means of Monte Carlo simulations. By imposing free boundary conditions at which competing boundary magnetic fields ± h are applied, the system undergoes a filling transition at a temperature T f (h) lower than the Onsager critical temperature T C . The competing fields cause the formation of two magnetic domains with opposite orientation of the magnetization, separated by an interface that for T larger than T f (h) (but T C ) runs along the diagonal of the sample that connects the corners where the magnetic fields of different orientation meet. Also, for T f (h) this interface is localized either close to the corner where the magnetic field is positive or close to the opposite one, with the same probability. It is found that, just at T = T f (h), the damage initially propagates along the interface of the competing domains, according to a power law given by D(t) ∝ t η . The value obtained for the dynamic exponent (η* = 0.89(1)) is in agreement with that corresponding to the wetting transition in the slit geometry (Abraham model) given by η WT = 0.91(1). However, for later times the propagation crosses to a new regime such as η** = 0.40(2), which is due to the propagation of the damage into the bulk of the magnetic domains. This result can be understood as being due to the constraints imposed on the propagation of damage by the corner geometry of the system that cause healing at the corners where the interface is attached. The critical points for the damage-spreading transition (T D (h)) are evaluated by extrapolation to the thermodynamic limit by using a finite-size scaling approach. Considering error bars, an overlap between the filling and the damage-spreading transitions is found, such that T f (h) = T D (h). The probability distribution of the damage average position P(l 0 D ) and that of the interface between magnetic domains of different orientation P(l 0 ) are
From Holonomy of the Ising Model Form Factors to n-Fold Integrals and the Theory of Elliptic Curves
Salah Boukraa
2007-10-01
Full Text Available We recall the form factors $f^(j_{N,N}$ corresponding to the $lambda$-extension $C(N,N; lambda$ of the two-point diagonal correlation function of the Ising model on the square lattice and their associated linear differential equations which exhibit both a "Russian-doll" nesting, and a decomposition of the linear differential operators as a direct sum of operators (equivalent to symmetric powers of the differential operator of the complete elliptic integral $E$. The scaling limit of these differential operators breaks the direct sum structure but not the "Russian doll" structure, the "scaled" linear differential operators being no longer Fuchsian. We then introduce some multiple integrals of the Ising class expected to have the same singularities as the singularities of the $n$-particle contributions $chi^{(n}$ to the susceptibility of the square lattice Ising model. We find the Fuchsian linear differential equations satisfied by these multiple integrals for $n = 1, 2, 3, 4$ and, only modulo a prime, for $n = 5$ and 6, thus providing a large set of (possible new singularities of the $chi^{(n}$. We get the location of these singularities by solving the Landau conditions. We discuss the mathematical, as well as physical, interpretation of these new singularities. Among the singularities found, we underline the fact that the quadratic polynomial condition $1 + 3w + 4w^2 = 0$, that occurs in the linear differential equation of $chi^{(3}$, actually corresponds to the occurrence of complex multiplication for elliptic curves. The interpretation of complex multiplication for elliptic curves as complex fixed points of generators of the exact renormalization group is sketched. The other singularities occurring in our multiple integrals are not related to complex multiplication situations, suggesting a geometric interpretation in terms of more general (motivic mathematical structures beyond the theory of elliptic curves. The scaling limit of the (lattice
Stramaglia, S.; Pellicoro, M.; Angelini, L.; Amico, E.; Aerts, H.; Cortés, J. M.; Laureys, S.; Marinazzo, D.
2017-04-01
Dynamical models implemented on the large scale architecture of the human brain may shed light on how a function arises from the underlying structure. This is the case notably for simple abstract models, such as the Ising model. We compare the spin correlations of the Ising model and the empirical functional brain correlations, both at the single link level and at the modular level, and show that their match increases at the modular level in anesthesia, in line with recent results and theories. Moreover, we show that at the peak of the specific heat (the critical state), the spin correlations are minimally shaped by the underlying structural network, explaining how the best match between the structure and function is obtained at the onset of criticality, as previously observed. These findings confirm that brain dynamics under anesthesia shows a departure from criticality and could open the way to novel perspectives when the conserved magnetization is interpreted in terms of a homeostatic principle imposed to neural activity.
Entanglement of two blocks of spins in the critical Ising model
Facchi, P.; Florio, G.; Invernizzi, C.; Pascazio, S.
2008-11-01
We compute the entropy of entanglement of two blocks of L spins at a distance d in the ground state of an Ising chain in an external transverse magnetic field. We numerically study the von Neumann entropy for different values of the transverse field. At the critical point we obtain analytical results for blocks of size L=1 and 2. In the general case, the critical entropy is shown to be additive when d→∞ . Finally, based on simple arguments, we derive an expression for the entropy at the critical point as a function of both L and d . This formula is in excellent agreement with numerical results.
Jiménez, Andrea
2014-02-01
We study the unexpected asymptotic behavior of the degeneracy of the first few energy levels in the antiferromagnetic Ising model on triangulations of closed Riemann surfaces. There are strong mathematical and physical reasons to expect that the number of ground states (i.e., degeneracy) of the antiferromagnetic Ising model on the triangulations of a fixed closed Riemann surface is exponential in the number of vertices. In the set of plane triangulations, the degeneracy equals the number of perfect matchings of the geometric duals, and thus it is exponential by a recent result of Chudnovsky and Seymour. From the physics point of view, antiferromagnetic triangulations are geometrically frustrated systems, and in such systems exponential degeneracy is predicted. We present results that contradict these predictions. We prove that for each closed Riemann surface S of positive genus, there are sequences of triangulations of S with exactly one ground state. One possible explanation of this phenomenon is that exponential degeneracy would be found in the excited states with energy close to the ground state energy. However, as our second result, we show the existence of a sequence of triangulations of a closed Riemann surface of genus 10 with exactly one ground state such that the degeneracy of each of the 1st, 2nd, 3rd and 4th excited energy levels belongs to O( n), O( n 2), O( n 3) and O( n 4), respectively.
Atitoaie, Alexandru; Tanasa, Radu; Enachescu, Cristian
2012-01-01
Spin crossover compounds are photo-magnetic bistable molecular magnets with two states in thermodynamic competition: the diamagnetic low-spin state and paramagnetic high-spin state. The thermal transition between the two states is often accompanied by a wide hysteresis, premise for possible application of these materials as recording media. In this paper we study the influence of the system's size on the thermal hysteresis loops using Monte Carlo simulations based on an Arrhenius dynamics applied for an Ising like model with long- and short-range interactions. We show that using appropriate boundary conditions it is possible to reproduce both the drop of hysteresis width with decreasing particle size, the hysteresis shift towards lower temperatures and the incomplete transition, as in the available experimental data. The case of larger systems composed by several sublattices is equally treated reproducing the shrinkage of the hysteresis loop's width experimentally observed. - Highlights: ► A study concerning size effects in spin crossover nanoparticles hysteresis is presented. ► An Ising like model with short- and long-range interactions and Arrhenius dynamics is employed. ► In open boundary system the hysteresis width decreases with particle size. ► With appropriate environment, hysteresis loop is shifted towards lower temperature and transition is incomplete.
Kovacs effect and fluctuation-dissipation relations in 1D kinetically constrained models
Buhot, Arnaud
2003-01-01
Strong and fragile glass relaxation behaviours are obtained simply changing the constraints of the kinetically constrained Ising chain from symmetric to purely asymmetric. We study the out-of-equilibrium dynamics of these two models focusing on the Kovacs effect and the fluctuation-dissipation (FD) relations. The Kovacs or memory effect, commonly observed in structural glasses, is present for both constraints but enhanced with the asymmetric ones. Most surprisingly, the related FD relations satisfy the FD theorem in both cases. This result strongly differs from the simple quenching procedure where the asymmetric model presents strong deviations from the FD theorem
Ertaş, Mehmet, E-mail: mehmetertas@erciyes.edu.tr; Keskin, Mustafa
2015-08-15
Herein we study the dynamic phase transition properties for the mixed spin-(1/2, 1) Ising model on a square lattice under a time-dependent magnetic field by means of the effective-field theory (EFT) with correlations based on Glauber dynamics. We present the dynamic phase diagrams in the reduced magnetic field amplitude and reduced temperature plane and find that the phase diagrams exhibit dynamic tricitical behavior, multicritical and zero-temperature critical points as well as reentrant behavior. We also investigate the influence of frequency (ω) and observe that for small values of ω the mixed phase disappears, but for high values it appears and the system displays reentrant behavior as well as a critical end point. - Highlights: • Dynamic behaviors of a ferrimagnetic mixed spin (1/2, 1) Ising system are studied. • We examined the effects of the Hamiltonian parameters on the dynamic behaviors. • The phase diagrams are obtained in (T-h) plane. • The dynamic phase diagrams exhibit the dynamic tricritical and reentrant behaviors.
Ertaş, Mehmet; Keskin, Mustafa
2015-01-01
Herein we study the dynamic phase transition properties for the mixed spin-(1/2, 1) Ising model on a square lattice under a time-dependent magnetic field by means of the effective-field theory (EFT) with correlations based on Glauber dynamics. We present the dynamic phase diagrams in the reduced magnetic field amplitude and reduced temperature plane and find that the phase diagrams exhibit dynamic tricitical behavior, multicritical and zero-temperature critical points as well as reentrant behavior. We also investigate the influence of frequency (ω) and observe that for small values of ω the mixed phase disappears, but for high values it appears and the system displays reentrant behavior as well as a critical end point. - Highlights: • Dynamic behaviors of a ferrimagnetic mixed spin (1/2, 1) Ising system are studied. • We examined the effects of the Hamiltonian parameters on the dynamic behaviors. • The phase diagrams are obtained in (T-h) plane. • The dynamic phase diagrams exhibit the dynamic tricritical and reentrant behaviors
Kinetics model for lutate dosimetry
Lima, M.F.; Mesquita, C.H.
2013-01-01
The use of compartmental analysis to predict the behavior of drugs in the organism is considered the better option among numerous methods employed in pharmacodynamics. A six compartments model was developed to determinate the kinetic constants of 177Lu-DOTATATO biodistribution using data from one published study with 67 patients treated by PRRT (Peptide receptor radionuclide therapy) and followed by CT during 68,25 hours. The compartmental analysis was made using the software AnaComp®. The influence of the time pos-injection over the dose assessment was studied taking into account the renal excretion management by aminoacid coinfusion, whose direct effects persist in the first day. The biodistribution curve was split in five sectors: 0-0.25h; 0-3.25h; 3.25-24.25h; 24.25-68.25h and 3.25-68.25h. After the examination of that influence, the study was concentrated in separate the biodistribution curve in two phases. Phase 1: governed by uptake from the blood, considering the time pos-injection until 3.25h and phase 2: governed by renal excretion, considering the time pos-injection from 3.25h to 68.25h. The model considered the organs and tissues superposition in the CT image acquisition by sampling parameters as the contribution of the the activity concentration in blood and relation between the sizes of the whole body and measured organs. The kinetic constants obtained from each phase (1 and 2) were used in dose assessment to patients in 26 organs and tissues described by MIRD. Dosimetry results were in agreement with the available results from literature, restrict to whole body, kidneys, bone marrow, spleen and liver. The advantage of the proposed model is the compartmental method quickness and power to estimate dose in organs and tissues, including tumor that, in the most part, were not discriminate by voxels of phantoms built using CT images. (author)
Kinetics model for lutate dosimetry
Lima, M.F.; Mesquita, C.H., E-mail: mflima@ipen.br, E-mail: chmesqui@ipen.br [Instituto de Pesquisas Energeticas (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)
2013-11-01
The use of compartmental analysis to predict the behavior of drugs in the organism is considered the better option among numerous methods employed in pharmacodynamics. A six compartments model was developed to determinate the kinetic constants of 177Lu-DOTATATO biodistribution using data from one published study with 67 patients treated by PRRT (Peptide receptor radionuclide therapy) and followed by CT during 68,25 hours. The compartmental analysis was made using the software AnaComp Registered-Sign . The influence of the time pos-injection over the dose assessment was studied taking into account the renal excretion management by aminoacid coinfusion, whose direct effects persist in the first day. The biodistribution curve was split in five sectors: 0-0.25h; 0-3.25h; 3.25-24.25h; 24.25-68.25h and 3.25-68.25h. After the examination of that influence, the study was concentrated in separate the biodistribution curve in two phases. Phase 1: governed by uptake from the blood, considering the time pos-injection until 3.25h and phase 2: governed by renal excretion, considering the time pos-injection from 3.25h to 68.25h. The model considered the organs and tissues superposition in the CT image acquisition by sampling parameters as the contribution of the the activity concentration in blood and relation between the sizes of the whole body and measured organs. The kinetic constants obtained from each phase (1 and 2) were used in dose assessment to patients in 26 organs and tissues described by MIRD. Dosimetry results were in agreement with the available results from literature, restrict to whole body, kidneys, bone marrow, spleen and liver. The advantage of the proposed model is the compartmental method quickness and power to estimate dose in organs and tissues, including tumor that, in the most part, were not discriminate by voxels of phantoms built using CT images. (author)
Crystallization Kinetics within a Generic Modeling Framework
Meisler, Kresten Troelstrup; von Solms, Nicolas; Gernaey, Krist V.
2014-01-01
of employing a well-structured model library for storage, use/reuse, and analysis of the kinetic models are highlighted. Examples illustrating the application of the modeling framework for kinetic model discrimination related to simulation of specific crystallization scenarios and for kinetic model parameter......A new and extended version of a generic modeling framework for analysis and design of crystallization operations is presented. The new features of this framework are described, with focus on development, implementation, identification, and analysis of crystallization kinetic models. Issues related...... to the modeling of various kinetic phenomena like nucleation, growth, agglomeration, and breakage are discussed in terms of model forms, model parameters, their availability and/or estimation, and their selection and application for specific crystallization operational scenarios under study. The advantages...
An effective correlated mean-field theory applied in the spin-1/2 Ising ferromagnetic model
Roberto Viana, J.; Salmon, Octávio R. [Universidade Federal do Amazonas – UFAM, Manaus 69077-000, AM (Brazil); Ricardo de Sousa, J. [Universidade Federal do Amazonas – UFAM, Manaus 69077-000, AM (Brazil); National Institute of Science and Technology for Complex Systems, Universidade Federal do Amazonas, 3000, Japiim, 69077-000 Manaus, AM (Brazil); Neto, Minos A.; Padilha, Igor T. [Universidade Federal do Amazonas – UFAM, Manaus 69077-000, AM (Brazil)
2014-11-15
We developed a new treatment for mean-field theory applied in spins systems, denominated effective correlated mean-field (ECMF). We apply this theory to study the spin-1/2 Ising ferromagnetic model with nearest-neighbor interactions on a square lattice. We use clusters of finite sizes and study the criticality of the ferromagnetic system, where we obtain a convergence of critical temperature for the value k{sub B}T{sub c}/J≃2.27905±0.00141. Also the behavior of magnetic and thermodynamic properties, using the condition of minimum energy of the physical system is obtained. - Highlights: • We developed spin models to study real magnetic systems. • We study the thermodynamic and magnetic properties of the ferromagnetism. • We enhanced a mean-field theory applied in spins models.
Modeling composting kinetics: A review of approaches
Hamelers, H.V.M.
2004-01-01
Composting kinetics modeling is necessary to design and operate composting facilities that comply with strict market demands and tight environmental legislation. Current composting kinetics modeling can be characterized as inductive, i.e. the data are the starting point of the modeling process and
Nishiyama, Yoshihiro
2011-01-01
A length-N spin chain with the √N(=v)th neighbor interaction is identical to a two-dimensional (d = 2) model under the screw-boundary (SB) condition. The SB condition provides a flexible scheme to construct a d ≥ 2 cluster from an arbitrary number of spins; the numerical diagonalization combined with the SB condition admits a potential applicability to a class of systems intractable with the quantum Monte Carlo method due to the negative-sign problem. However, the simulation results suffer from characteristic finite-size corrections inherent in SB. In order to suppress these corrections, we adjust the screw pitch v(N) so as to minimize the excitation gap for each N. This idea is adapted to the transverse-field Ising model on the triangular lattice with N ≤ 32 spins. As a demonstration, the correlation-length critical exponent ν is analyzed in some detail
The spin-3/2 Ising model AFM/AFM two-layer lattice with crystal field
Yigit, A.; Albayrak, E.
2010-01-01
The spin-3/2 Ising model is investigated for the case of antiferromagnetic (AFM/AFM) interactions on the two-layer Bethe lattice by using the exact recursion relations in a pairwise approach for given coordination numbers q=3, 4 and 6 when the layers are under the influences of equal external magnetic and equal crystal fields. The ground state (GS) phase diagrams are obtained on the different planes in detail and then the temperature dependent phase diagrams of the system are calculated accordingly. It is observed that the system presents both second- and first-order phase transitions for all q, therefore, tricritical points. It was also found that the system exhibits double-critical end points and isolated points. The model also presents two Neel temperatures, TN, and the existence of which leads to the reentrant behavior.
The democracy ochlocracy dictatorship transition in the Sznajd model and in the Ising model
Schneider, Johannes J.; Hirtreiter, Christian
2005-08-01
Since its introduction in 2000, the Sznajd model has been assumed to simulate a democratic community with two parties. The main flaw in this model is that a Sznajd system freezes in the long term in a non-democratic state, which can be either a dictatorship or a stalemate configuration. Here we show that the Sznajd model has better to be considered as a transition model, transferring a democratic system already at the beginning of a simulation via an ochlocratic scenario, i.e., a regime in which several mobs rule, to a dictatorship, thus reproducing the corresponding Aristotelian theory.
Eising, G.; Kooi, B. J.
2012-01-01
Growth and decay of clusters at temperatures below T-c have been studied for a two-dimensional Ising model for both square and triangular lattices using Monte Carlo (MC) simulations and the enumeration of lattice animals. For the lattice animals, all unique cluster configurations with their internal
Magnetic properties of a ferromagnet spin-S, Ising, XY and Heisenberg models semi-infinites systems
Masrour, R.; Hamedoun, M.; Hourmatallah, A.; Bouslykhane, K.; Benzakour, N.
2008-01-01
The magnetic properties of a ferromagnet spin-S a disordered semi-infinite system with a face-centered cubic lattice are investigated using the high-temperature series expansions technique extrapolated with Pade approximants method for Heisenberg, XY and Ising models. The reduced critical temperature of the system τ c =(k B T c )/(2S(S+1)J b ) is studied as function of the thickness of the film and the exchange interactions in the bulk, and within the surfaces J b ,J s and J perpendicular , respectively. It is found that τ c increases with the exchange interactions of surface. The magnetic phase diagrams (τ c versus the dilution x) and the percolation threshold are obtained
Mariz, A.M.; Tsallis, C.; Albuquerque, E.L. de.
1984-01-01
The phae diagram for the Ising Model on a Cayley tree with competing nearest-neighbour interactions J 1 and next-nearest-neighbour interactions J 2 and J 3 in the presence of an external magnetic field is studied. To perform this study, an iterative scheme similar to that appearing in real space renormalization group frameworks is established; it recovers, as particular cases, previous works by Vannimenus and by Inawashiro et al. At vanishing temperature, the phase diagram is fully determined, for all values and signs of J 2 /J 1 and J 3 /J 2 ; in particular, it is verified that values of J 3 /J 2 high enough favour the paramagnetic phase. At finite temperatures, several interesting features (evolution of re-entrances, separation of the modulated region in two disconnected pieces, etc.) are exhibited for typical values of J 2 /J 1 and J 3 /J 2 . (Author) [pt
Phase diagrams of a spin-1/2 transverse Ising model with three-peak random field distribution
Bassir, A.; Bassir, C.E.; Benyoussef, A.; Ez-Zahraouy, H.
1996-07-01
The effect of the transverse magnetic field on the phase diagrams structures of the Ising model in a random longitudinal magnetic field with a trimodal symmetric distribution is investigated within a finite cluster approximation. We find that a small magnetizations ordered phase (small ordered phase) disappears completely for a sufficiently large value of the transverse field or/and large value of the concentration of the disorder of the magnetic field. Multicritical behaviour and reentrant phenomena are discussed. The regions where the tricritical, reentrant phenomena and the small ordered phase persist are delimited as a function of the transverse field and the concentration p. Longitudinal magnetizations are also presented. (author). 33 refs, 6 figs
Martin, H.O.; Tsallis, C.
1981-01-01
A simple renormalization group approach based on self-dual clusters is proposed for two-dimensional nearest-neighbour 1/2 - spin Ising model on the square lattice; it reproduces the exact critical point. The internal energy and the specific heat for vanishing external magnetic field, spontaneous magnetization and the thermal (Y sub(T)) and magnetic (Y sub(H)) critical exponents are calculated. The results obtained from the first four smallest cluster sizes strongly suggest the convergence towards the exact values when the cluster sizes increases. Even for the smallest cluster, where the calculation is very simple, the results are quite accurate, particularly in the neighbourhood of the critical point. (Author) [pt
Kamieniarz, G.
1984-12-01
A zero temperature real space renormalization group block method is applied to the random quantum Ising model with a transverse field on the planar honeycomb and square lattices. For the bond diluted system the magnetisation and the separation of the ground state energy level (in the paramagnetic phase) are presented for several bond concentrations p. The critical exponents extracted both from the fixed-points and from direct numerical computations preserve some scaling relations, and the critical curve displays a characteristic discontinuity at the percolation concentration. For the McCoy and Wu distribution the random fields and bonds are found to introduce a strong relevant disorder. The order parameter still falls off continuously to zero for well-defined values of the parameters, but a new fixed point yields a slight change in the critical exponents. (author)
Chen, Jiahui; Zhou, Hui; Duan, Changkui; Peng, Xinhua
2017-03-01
Entanglement, a unique quantum resource with no classical counterpart, remains at the heart of quantum information. The Greenberger-Horne-Zeilinger (GHZ) and W states are two inequivalent classes of multipartite entangled states which cannot be transformed into each other by means of local operations and classic communication. In this paper, we present the methods to prepare the GHZ and W states via global controls on a long-range Ising spin model. For the GHZ state, general solutions are analytically obtained for an arbitrary-size spin system, while for the W state, we find a standard way to prepare the W state that is analytically illustrated in three- and four-spin systems and numerically demonstrated for larger-size systems. The number of parameters required in the numerical search increases only linearly with the size of the system.
Lang, Johannes; Frank, Bernhard; Halimeh, Jad C.
2018-05-01
We construct the finite-temperature dynamical phase diagram of the fully connected transverse-field Ising model from the vantage point of two disparate concepts of dynamical criticality. An analytical derivation of the classical dynamics and exact diagonalization simulations are used to study the dynamics after a quantum quench in the system prepared in a thermal equilibrium state. The different dynamical phases characterized by the type of nonanalyticities that emerge in an appropriately defined Loschmidt-echo return rate directly correspond to the dynamical phases determined by the spontaneous breaking of Z2 symmetry in the long-time steady state. The dynamical phase diagram is qualitatively different depending on whether the initial thermal state is ferromagnetic or paramagnetic. Whereas the former leads to a dynamical phase diagram that can be directly related to its equilibrium counterpart, the latter gives rise to a divergent dynamical critical temperature at vanishing final transverse-field strength.
Chemical Kinetic Modeling of 2-Methylhexane Combustion
Mohamed, Samah Y.
2015-03-30
Accurate chemical kinetic combustion models of lightly branched alkanes (e.g., 2-methylalkanes) are important for investigating the combustion behavior of diesel, gasoline, and aviation fuels. Improving the fidelity of existing kinetic models is a necessity, as new experiments and advanced theories show inaccuracy in certain portions of the models. This study focuses on updating thermodynamic data and kinetic model for a gasoline surrogate fuel, 2-methylhexane, with recently published group values and rate rules. These update provides a better agreement with rapid compression machine measurements of ignition delay time, while also strengthening the fundamental basis of the model.
A mathematical model for iodine kinetics
Silva, E.A.T. da.
1976-01-01
A mathematical model for the iodine kinetics in thyroid is presented followed by its analytical solution. An eletroanalogical model is also developed for a simplified stage and another is proposed for the main case [pt
Chemical Kinetic Modeling of 2-Methylhexane Combustion
Mohamed, Samah Y.; Sarathy, Mani
2015-01-01
necessity, as new experiments and advanced theories show inaccuracy in certain portions of the models. This study focuses on updating thermodynamic data and kinetic model for a gasoline surrogate fuel, 2-methylhexane, with recently published group values
Shielding property for thermal equilibrium states in the quantum Ising model
Móller, N. S.; de Paula, A. L.; Drumond, R. C.
2018-03-01
We show that Gibbs states of nonhomogeneous transverse Ising chains satisfy a shielding property. Namely, whatever the fields on each spin and exchange couplings between neighboring spins are, if the field in one particular site is null, then the reduced states of the subchains to the right and to the left of this site are exactly the Gibbs states of each subchain alone. Therefore, even if there is a strong exchange coupling between the extremal sites of each subchain, the Gibbs states of the each subchain behave as if there is no interaction between them. In general, if a lattice can be divided into two disconnected regions separated by an interface of sites with zero applied field, then we can guarantee a similar result only if the surface contains a single site. Already for an interface with two sites we show an example where the property does not hold. When it holds, however, we show that if a perturbation of the Hamiltonian parameters is done in one side of the lattice, then the other side is completely unchanged, with regard to both its equilibrium state and dynamics.
Kinetic equations for the collisional plasma model
Rij, W.I. Van; Meier, H.K.; Beasley, C.O. Jr.; McCune, J.E.
1977-01-01
Using the Collisional Plasma Model (CPM) representation, expressions are derived for the Vlasov operator, both in its general form and in the drift-kinetic approximation following the recursive derivation by Hazeltine. The expressions for the operators give easily calculated couplings between neighbouring components of the CPM representation. Expressions for various macroscopic observables in the drift-kinetics approximation are also given. (author)
Punya Jaroenjittichai, Atchara; Laosiritaworn, Yongyut
2017-09-01
In this work, the stock-price versus economic-field hysteresis was investigated. The Ising spin Hamiltonian was utilized as the level of ‘disagreement’ in describing investors’ behaviour. The Ising spin directions were referred to an investor’s intention to perform his action on trading his stock. The periodic economic variation was also considered via the external economic-field in the Ising model. The stochastic Monte Carlo simulation was performed on Ising spins, where the steady-state excess demand and supply as well as the stock-price were extracted via the magnetization. From the results, the economic-field parameters and market temperature were found to have significant effect on the dynamic magnetization and stock-price behaviour. Specifically, the hysteresis changes from asymmetric to symmetric loops with increasing market temperature and economic-field strength. However, the hysteresis changes from symmetric to asymmetric loops with increasing the economic-field frequency, when either temperature or economic-field strength is large enough, and returns to symmetric shape at very high frequencies. This suggests competitive effects among field and temperature factors on the hysteresis characteristic, implying multi-dimensional complicated non-trivial relationship among inputs-outputs. As is seen, the results reported (over extensive range) can be used as basis/guideline for further analysis/quantifying how economic-field and market-temperature affect the stock-price distribution on the course of economic cycle.
Siudem, Grzegorz; Fronczak, Agata; Fronczak, Piotr
2016-01-01
In this paper, we provide the exact expression for the coefficients in the low-temperature series expansion of the partition function of the two-dimensional Ising model on the infinite square lattice. This is equivalent to exact determination of the number of spin configurations at a given energy. With these coefficients, we show that the ferromagnetic–to–paramagnetic phase transition in the square lattice Ising model can be explained through equivalence between the model and the perfect gas of energy clusters model, in which the passage through the critical point is related to the complete change in the thermodynamic preferences on the size of clusters. The combinatorial approach reported in this article is very general and can be easily applied to other lattice models. PMID:27721435
Kinetic Model of Growth of Arthropoda Populations
Ershov, Yu. A.; Kuznetsov, M. A.
2018-05-01
Kinetic equations were derived for calculating the growth of crustacean populations ( Crustacea) based on the biological growth model suggested earlier using shrimp ( Caridea) populations as an example. The development cycle of successive stages for populations can be represented in the form of quasi-chemical equations. The kinetic equations that describe the development cycle of crustaceans allow quantitative prediction of the development of populations depending on conditions. In contrast to extrapolation-simulation models, in the developed kinetic model of biological growth the kinetic parameters are the experimental characteristics of population growth. Verification and parametric identification of the developed model on the basis of the experimental data showed agreement with experiment within the error of the measurement technique.
On the equivalence of Ising models on ‘small-world’ networks and LDPC codes on channels with memory
Neri, Izaak; Skantzos, Nikos S
2014-01-01
We demonstrate the equivalence between thermodynamic observables of Ising spin-glass models on small-world lattices and the decoding properties of error-correcting low-density parity-check codes on channels with memory. In particular, the self-consistent equations for the effective field distributions in the spin-glass model within the replica symmetric ansatz are equivalent to the density evolution equations forr Gilbert–Elliott channels. This relationship allows us to present a belief-propagation decoding algorithm for finite-state Markov channels and to compute its performance at infinite block lengths from the density evolution equations. We show that loss of reliable communication corresponds to a first order phase transition from a ferromagnetic phase to a paramagnetic phase in the spin glass model. The critical noise levels derived for Gilbert–Elliott channels are in very good agreement with existing results in coding theory. Furthermore, we use our analysis to derive critical noise levels for channels with both memory and asymmetry in the noise. The resulting phase diagram shows that the combination of asymmetry and memory in the channel allows for high critical noise levels: in particular, we show that successful decoding is possible at any noise level of the bad channel when the good channel is good enough. Theoretical results at infinite block lengths using density evolution equations aree compared with average error probabilities calculated from a practical implementation of the corresponding decoding algorithms at finite block lengths. (paper)
Highly optimized simulations on single- and multi-GPU systems of the 3D Ising spin glass model
Lulli, M.; Bernaschi, M.; Parisi, G.
2015-11-01
We present a highly optimized implementation of a Monte Carlo (MC) simulator for the three-dimensional Ising spin-glass model with bimodal disorder, i.e., the 3D Edwards-Anderson model running on CUDA enabled GPUs. Multi-GPU systems exchange data by means of the Message Passing Interface (MPI). The chosen MC dynamics is the classic Metropolis one, which is purely dissipative, since the aim was the study of the critical off-equilibrium relaxation of the system. We focused on the following issues: (i) the implementation of efficient memory access patterns for nearest neighbours in a cubic stencil and for lagged-Fibonacci-like pseudo-Random Numbers Generators (PRNGs); (ii) a novel implementation of the asynchronous multispin-coding Metropolis MC step allowing to store one spin per bit and (iii) a multi-GPU version based on a combination of MPI and CUDA streams. Cubic stencils and PRNGs are two subjects of very general interest because of their widespread use in many simulation codes.
Saadatmand, S. N.; Bartlett, S. D.; McCulloch, I. P.
2018-04-01
Obtaining quantitative ground-state behavior for geometrically-frustrated quantum magnets with long-range interactions is challenging for numerical methods. Here, we demonstrate that the ground states of these systems on two-dimensional lattices can be efficiently obtained using state-of-the-art translation-invariant variants of matrix product states and density-matrix renormalization-group algorithms. We use these methods to calculate the fully-quantitative ground-state phase diagram of the long-range interacting triangular Ising model with a transverse field on six-leg infinite-length cylinders and scrutinize the properties of the detected phases. We compare these results with those of the corresponding nearest neighbor model. Our results suggest that, for such long-range Hamiltonians, the long-range quantum fluctuations always lead to long-range correlations, where correlators exhibit power-law decays instead of the conventional exponential drops observed for short-range correlated gapped phases. Our results are relevant for comparisons with recent ion-trap quantum simulator experiments that demonstrate highly-controllable long-range spin couplings for several hundred ions.
Deviren, Seyma Akkaya
2017-02-01
In this research, we have investigated the magnetic properties of the spin-1 Ising model on the Shastry Sutherland lattice with the crystal field interaction by using the effective-field theory with correlations. The effects of the applied field on the magnetization are examined in detail in order to obtain the magnetization plateaus, thus different types of magnetization plateaus, such as 1/4, 1/3, 1/2, 3/5, 2/3 and 7/9 of the saturation, are obtained for strong enough magnetic fields (h). Magnetization plateaus exhibit single, triple, quintuplet and sextuple forms according to the interaction parameters, hence the magnetization plateaus originate from the competition between the crystal field (D) and exchange interaction parameters (J, J‧). The ground-state phase diagrams of the system are presented in three varied planes, namely (h/J, J‧/J), (h/J, D/J) and (D/J, J‧/J) planes. These phase diagrams display the Néel (N), collinear (C) and ferromagnetic (F) phases for certain values of the model parameters. The obtained results are in good agreement with some theoretical and experimental studies.
Monthus, Cécile
2015-01-01
For the quantum Ising chain, the self-dual block renormalization procedure of Fernandez-Pacheco (1979 Phys. Rev. D 19 3173) is known to reproduce exactly the location of the zero-temperature critical point and the correlation length exponent ν = 1. Recently, Miyazaki and Nishimori (2013 Phys. Rev. E 87 032154) have proposed to study the disordered quantum Ising model in dimensions d > 1 by applying the Fernandez-Pacheco procedure successively in each direction. To avoid the inequivalence of directions of their approach, we propose here an alternative procedure where the d directions are treated on the same footing. For the pure model, this leads to the correlation length exponents ν ≃ 0.625 in d = 2 (to be compared with the 3D classical Ising model exponent ν ≃ 0.63) and ν ≃ 0.5018 (to be compared with the 4D classical Ising model mean-field exponent ν = 1/2). For the disordered model in dimension d = 2, either ferromagnetic or spin-glass, the numerical application of the renormalization rules to samples of linear size L = 4096 yields that the transition is governed by an Infinite Disorder Fixed Point, with the activated exponent ψ ≃ 0.65, the typical correlation exponent ν typ ≃ 0.44 and the finite-size correlation exponent ν FS ≃ 1.25. We discuss the similarities and differences with the Strong Disorder Renormalization results. (paper)
Chakraborty, Saikat; Das, Subir K.
2017-09-01
Via Monte Carlo simulations we study pattern and aging during coarsening in a nonconserved nearest-neighbor Ising model, following quenches from infinite to zero temperature, in space dimension d = 3. The decay of the order-parameter autocorrelation function appears to obey a power-law behavior, as a function of the ratio between the observation and waiting times, in the large ratio limit. However, the exponent of the power law, estimated accurately via a state-of-the-art method, violates a well-known lower bound. This surprising fact has been discussed in connection with a quantitative picture of the structural anomaly that the 3D Ising model exhibits during coarsening at zero temperature. These results are compared with those for quenches to a temperature above that of the roughening transition.
Gudyma, Iu.; Maksymov, A.; Spinu, L.
2015-01-01
Highlights: • We study the thermal hysteresis in spin-crossover nanoparticles with stochastic perturbation. • The dependence of system behavior on its dimensionality and size were examined. • The spin-crossover compounds where described by breathing crystal field Ising-like model. • The fluctuations may enlarge the hysteresis width which is dependent on the system size. - Abstract: The spin-crossover nanoparticles of different sizes and stochastic perturbations in external field taking into account the influence of the dimensionality of the lattice was studied. The analytical tools used for the investigation of spin-crossover system are based on an Ising-like model described using of the breathing crystal field concept. The changes of transition temperatures characterizing the systems’ bistable properties for 2D and 3D lattices, and their dependence on its size and fluctuations strength were obtained. The state diagrams with hysteretic and non-hysteretic behavior regions have also been determined.
Gudyma, Iu. [Department of General Physics, Chernivtsi National University, Chernivtsi 58012 (Ukraine); Maksymov, A., E-mail: maxyartur@gmail.com [Department of General Physics, Chernivtsi National University, Chernivtsi 58012 (Ukraine); Advanced Material Research Institute (AMRI), University of New Orleans, New Orleans, LA 70148 (United States); Spinu, L. [Advanced Material Research Institute (AMRI), University of New Orleans, New Orleans, LA 70148 (United States); Department of Physics, University of New Orleans, New Orleans, LA 70148 (United States)
2015-10-15
Highlights: • We study the thermal hysteresis in spin-crossover nanoparticles with stochastic perturbation. • The dependence of system behavior on its dimensionality and size were examined. • The spin-crossover compounds where described by breathing crystal field Ising-like model. • The fluctuations may enlarge the hysteresis width which is dependent on the system size. - Abstract: The spin-crossover nanoparticles of different sizes and stochastic perturbations in external field taking into account the influence of the dimensionality of the lattice was studied. The analytical tools used for the investigation of spin-crossover system are based on an Ising-like model described using of the breathing crystal field concept. The changes of transition temperatures characterizing the systems’ bistable properties for 2D and 3D lattices, and their dependence on its size and fluctuations strength were obtained. The state diagrams with hysteretic and non-hysteretic behavior regions have also been determined.
Large deviations of the finite-time magnetization of the Curie-Weiss random-field Ising model
Paga, Pierre; Kühn, Reimer
2017-08-01
We study the large deviations of the magnetization at some finite time in the Curie-Weiss random field Ising model with parallel updating. While relaxation dynamics in an infinite-time horizon gives rise to unique dynamical trajectories [specified by initial conditions and governed by first-order dynamics of the form mt +1=f (mt) ] , we observe that the introduction of a finite-time horizon and the specification of terminal conditions can generate a host of metastable solutions obeying second-order dynamics. We show that these solutions are governed by a Newtonian-like dynamics in discrete time which permits solutions in terms of both the first-order relaxation ("forward") dynamics and the backward dynamics mt +1=f-1(mt) . Our approach allows us to classify trajectories for a given final magnetization as stable or metastable according to the value of the rate function associated with them. We find that in analogy to the Freidlin-Wentzell description of the stochastic dynamics of escape from metastable states, the dominant trajectories may switch between the two types (forward and backward) of first-order dynamics. Additionally, we show how to compute rate functions when uncertainty in the quenched disorder is introduced.
Ising formulations of many NP problems
Lucas, Andrew
2013-01-01
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 formulations of many NP problems
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.
Modeling the degradation kinetics of ascorbic acid.
Peleg, Micha; Normand, Mark D; Dixon, William R; Goulette, Timothy R
2018-06-13
Most published reports on ascorbic acid (AA) degradation during food storage and heat preservation suggest that it follows first-order kinetics. Deviations from this pattern include Weibullian decay, and exponential drop approaching finite nonzero retention. Almost invariably, the degradation rate constant's temperature-dependence followed the Arrhenius equation, and hence the simpler exponential model too. A formula and freely downloadable interactive Wolfram Demonstration to convert the Arrhenius model's energy of activation, E a , to the exponential model's c parameter, or vice versa, are provided. The AA's isothermal and non-isothermal degradation can be simulated with freely downloadable interactive Wolfram Demonstrations in which the model's parameters can be entered and modified by moving sliders on the screen. Where the degradation is known a priori to follow first or other fixed order kinetics, one can use the endpoints method, and in principle the successive points method too, to estimate the reaction's kinetic parameters from considerably fewer AA concentration determinations than in the traditional manner. Freeware to do the calculations by either method has been recently made available on the Internet. Once obtained in this way, the kinetic parameters can be used to reconstruct the entire degradation curves and predict those at different temperature profiles, isothermal or dynamic. Comparison of the predicted concentration ratios with experimental ones offers a way to validate or refute the kinetic model and the assumptions on which it is based.
Frustrated lattices of Ising chains
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)
A comparison of portfolio selection models via application on ISE 100 index data
Altun, Emrah; Tatlidil, Hüseyin
2013-10-01
Markowitz Model, a classical approach to portfolio optimization problem, relies on two important assumptions: the expected return is multivariate normally distributed and the investor is risk averter. But this model has not been extensively used in finance. Empirical results show that it is very hard to solve large scale portfolio optimization problems with Mean-Variance (M-V)model. Alternative model, Mean Absolute Deviation (MAD) model which is proposed by Konno and Yamazaki [7] has been used to remove most of difficulties of Markowitz Mean-Variance model. MAD model don't need to assume that the probability of the rates of return is normally distributed and based on Linear Programming. Another alternative portfolio model is Mean-Lower Semi Absolute Deviation (M-LSAD), which is proposed by Speranza [3]. We will compare these models to determine which model gives more appropriate solution to investors.
Thermodynamic and kinetic modelling: creep resistant materials
Hald, John; Korcakova, L.; Danielsen, Hilmar Kjartansson
2008-01-01
The use of thermodynamic and kinetic modelling of microstructure evolution in materials exposed to high temperatures in power plants is demonstrated with two examples. Precipitate stability in martensitic 9–12%Cr steels is modelled including equilibrium phase stability, growth of Laves phase part...
Kinetics model of bainitic transformation with stress
Zhou, Mingxing; Xu, Guang; Hu, Haijiang; Yuan, Qing; Tian, Junyu
2018-01-01
Thermal simulations were conducted on a Gleeble 3800 simulator. The main purpose is to investigate the effects of stress on the kinetics of bainitic transformation in a Fe-C-Mn-Si advanced high strength bainitic steel. Previous studies on modeling the kinetics of stress affected bainitic transformation only considered the stress below the yield strength of prior austenite. In the present study, the stress above the yield strength of prior austenite is taken into account. A new kinetics model of bainitic transformation dependent on the stress (including the stresses below and above the yield strength of prior austenite) and the transformation temperature is proposed. The new model presents a good agreement with experimental results. In addition, it is found that the acceleration degree of stress on bainitic transformation increases with the stress whether its magnitude is below or above the yield strength of austenite, but the increasing rate gradually slows down when the stress is above the yield strength of austenite.
Chemical Kinetic Models for Advanced Engine Combustion
Pitz, William J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Mehl, Marco [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Westbrook, Charles K. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2014-10-22
The objectives for this project are as follows: Develop detailed chemical kinetic models for fuel components used in surrogate fuels for compression ignition (CI), homogeneous charge compression ignition (HCCI) and reactivity-controlled compression-ignition (RCCI) engines; and Combine component models into surrogate fuel models to represent real transportation fuels. Use them to model low-temperature combustion strategies in HCCI, RCCI, and CI engines that lead to low emissions and high efficiency.
Study of an Ising model with competing long- and short-range interactions
Loew, U.; Emery, V.J.; Fabricius, K.; Kivelson, S.A.
1994-01-01
A classical spin-one lattice gas model is used to study the competition between short-range ferromagnetic coupling and long-range antiferromagnetic Coulomb interactions. The model is a coarse-grained representation of frustrated phase separation in high-temperature superconductors. The ground states are determined for the complete range of parameters by using a combination of numerical and analytical techniques. The crossover between ferromagnetic and antiferromagnetic states proceeds via a rich structure of highly symmetric striped and checkerboard phases. There is no devil's staircase behavior because mixtures of stripes with different period phase separate
Kinetic modeling of reactions in Foods
Boekel, van M.A.J.S.
2008-01-01
The level of quality that food maintains as it travels down the production-to-consumption path is largely determined by the chemical, biochemical, physical, and microbiological changes that take place during its processing and storage. Kinetic Modeling of Reactions in Foods demonstrates how to
A MODEL FOR POSTRADIATION STEM CELL KINETICS,
In polycythemic rats observed for 17 days postradiation (300 R, 250 KVP X-rays) it was noted that stem cell release diminished to 8 percent of the...correlate these findings with a kinetic model of erythropoiesis. It was suggested that the initial depression in stem cell release might be due to cellular
Exposure Modeling Tools and Databases for Consideration for Relevance to the Amended TSCA (ISES)
The Agency’s Office of Research and Development (ORD) has a number of ongoing exposure modeling tools and databases. These efforts are anticipated to be useful in supporting ongoing implementation of the amended Toxic Substances Control Act (TSCA). Under ORD’s Chemic...
Kinetic mechanism for modeling of electrochemical reactions.
Cervenka, Petr; Hrdlička, Jiří; Přibyl, Michal; Snita, Dalimil
2012-04-01
We propose a kinetic mechanism of electrochemical interactions. We assume fast formation and recombination of electron donors D- and acceptors A+ on electrode surfaces. These mediators are continuously formed in the electrode matter by thermal fluctuations. The mediators D- and A+, chemically equivalent to the electrode metal, enter electrochemical interactions on the electrode surfaces. Electrochemical dynamics and current-voltage characteristics of a selected electrochemical system are studied. Our results are in good qualitative agreement with those given by the classical Butler-Volmer kinetics. The proposed model can be used to study fast electrochemical processes in microsystems and nanosystems that are often out of the thermal equilibrium. Moreover, the kinetic mechanism operates only with the surface concentrations of chemical reactants and local electric potentials, which facilitates the study of electrochemical systems with indefinable bulk.
Kinetics model development of cocoa bean fermentation
Kresnowati, M. T. A. P.; Gunawan, Agus Yodi; Muliyadini, Winny
2015-12-01
Although Indonesia is one of the biggest cocoa beans producers in the world, Indonesian cocoa beans are oftenly of low quality and thereby frequently priced low in the world market. In order to improve the quality, adequate post-harvest cocoa processing techniques are required. Fermentation is the vital stage in series of cocoa beans post harvest processing which could improve the quality of cocoa beans, in particular taste, aroma, and colours. During the fermentation process, combination of microbes grow producing metabolites that serve as the precursors for cocoa beans flavour. Microbial composition and thereby their activities will affect the fermentation performance and influence the properties of cocoa beans. The correlation could be reviewed using a kinetic model that includes unstructured microbial growth, substrate utilization and metabolic product formation. The developed kinetic model could be further used to design cocoa bean fermentation process to meet the expected quality. Further the development of kinetic model of cocoa bean fermentation also serve as a good case study of mixed culture solid state fermentation, that has rarely been studied. This paper presents the development of a kinetic model for solid-state cocoa beans fermentation using an empirical approach. Series of lab scale cocoa bean fermentations, either natural fermentations without starter addition or fermentations with mixed yeast and lactic acid bacteria starter addition, were used for model parameters estimation. The results showed that cocoa beans fermentation can be modelled mathematically and the best model included substrate utilization, microbial growth, metabolites production and its transport. Although the developed model still can not explain the dynamics in microbial population, this model can sufficiently explained the observed changes in sugar concentration as well as metabolic products in the cocoa bean pulp.
Ising-based model of opinion formation in a complex network of interpersonal interactions
Grabowski, A.; Kosiński, R. A.
2006-03-01
In our work the process of opinion formation in the human population, treated as a scale-free network, is modeled and investigated numerically. The individuals (nodes of the network) are characterized by their authorities, which influence the interpersonal interactions in the population. Hierarchical, two-level structures of interpersonal interactions and spatial localization of individuals are taken into account. The effect of the mass media, modeled as an external stimulation acting on the social network, on the process of opinion formation is investigated. It was found that in the time evolution of opinions of individuals critical phenomena occur. The first one is observed in the critical temperature of the system TC and is connected with the situation in the community, which may be described by such quantifiers as the economic status of people, unemployment or crime wave. Another critical phenomenon is connected with the influence of mass media on the population. As results from our computations, under certain circumstances the mass media can provoke critical rebuilding of opinions in the population.
Modeling inhomogeneous DNA replication kinetics.
Michel G Gauthier
Full Text Available In eukaryotic organisms, DNA replication is initiated at a series of chromosomal locations called origins, where replication forks are assembled proceeding bidirectionally to replicate the genome. The distribution and firing rate of these origins, in conjunction with the velocity at which forks progress, dictate the program of the replication process. Previous attempts at modeling DNA replication in eukaryotes have focused on cases where the firing rate and the velocity of replication forks are homogeneous, or uniform, across the genome. However, it is now known that there are large variations in origin activity along the genome and variations in fork velocities can also take place. Here, we generalize previous approaches to modeling replication, to allow for arbitrary spatial variation of initiation rates and fork velocities. We derive rate equations for left- and right-moving forks and for replication probability over time that can be solved numerically to obtain the mean-field replication program. This method accurately reproduces the results of DNA replication simulation. We also successfully adapted our approach to the inverse problem of fitting measurements of DNA replication performed on single DNA molecules. Since such measurements are performed on specified portion of the genome, the examined DNA molecules may be replicated by forks that originate either within the studied molecule or outside of it. This problem was solved by using an effective flux of incoming replication forks at the model boundaries to represent the origin activity outside the studied region. Using this approach, we show that reliable inferences can be made about the replication of specific portions of the genome even if the amount of data that can be obtained from single-molecule experiments is generally limited.
Sørensen, Erik Schwartz; Fogedby, Hans C.; Mouritsen, Ole G.
1989-01-01
temperature are studied as functions of temperature, time, and concentration. At zero temperature and high dilution, the growing solid is found to have a fractal morphology and the effective fractal exponent D varies with concentration and ratio of time scales of the two dynamical processes. The mechanism...... responsible for forming the fractal solid is shown to be a buildup of a locally high vacancy concentration in the active growth zone. The growth-probability measure of the fractals is analyzed in terms of multifractality by calculating the f(α) spectrum. It is shown that the basic ideas of relating...... probability measures of static fractal objects to the growth-probability distribution during formation of the fractal apply to the present model. The f(α) spectrum is found to be in the universality class of diffusion-limited aggregation. At finite temperatures, the fractal solid domains become metastable...
A stochastic model of enzyme kinetics
Stefanini, Marianne; Newman, Timothy; McKane, Alan
2003-10-01
Enzyme kinetics is generally modeled by deterministic rate equations, and in the simplest case leads to the well-known Michaelis-Menten equation. It is plausible that stochastic effects will play an important role at low enzyme concentrations. We have addressed this by constructing a simple stochastic model which can be exactly solved in the steady-state. Throughout a wide range of parameter values Michaelis-Menten dynamics is replaced by a new and simple theoretical result.
Compartmental modeling and tracer kinetics
Anderson, David H
1983-01-01
This monograph is concerned with mathematical aspects of compartmental an alysis. In particular, linear models are closely analyzed since they are fully justifiable as an investigative tool in tracer experiments. The objective of the monograph is to bring the reader up to date on some of the current mathematical prob lems of interest in compartmental analysis. This is accomplished by reviewing mathematical developments in the literature, especially over the last 10-15 years, and by presenting some new thoughts and directions for future mathematical research. These notes started as a series of lectures that I gave while visiting with the Division of Applied ~1athematics, Brown University, 1979, and have developed in to this collection of articles aimed at the reader with a beginning graduate level background in mathematics. The text can be used as a self-paced reading course. With this in mind, exercises have been appropriately placed throughout the notes. As an aid in reading the material, the e~d of a ...
Lifshitz-Slyozov kinetics of a nonconserved system that separates into phases of different density
Mouritsen, Ole G.; Shah, Peter Jivan; Andersen, Jørgen Vitting
1990-01-01
Computer-simulation techniques are applied to analyze the late-stage ordering kinetics of a two-dimensional annealed dilute Ising model quenched into regions of its phase diagram that involve phase separation of phases with different densities. The order parameter of the model is a nonconserved...... of the phase-separation kinetics in O/W(110) systems at high coverage....
Kawamoto, Tohru; Abe, Shuji
2005-01-01
We investigated the switching behavior of small particles of an Ising-like model under constant excitation by means of Monte Carlo simulations to study photoinduced spinstate switching in nanoparticles of transition metal complexes. The threshold intensity required for that switching becomes drastically small in small particles with diameter of less than 10 pseudospins. This lower intensity results enhancement of the pseudospin fluctuation at the surface in the small particles. Our result might originate the increase of the photoinduced magnetization in nanoparticles of a Mo-Cu cyanide
MODELING STYRENE HYDROGENATION KINETICS USING PALLADIUM CATALYSTS
G. T. Justino
Full Text Available Abstract The high octane number of pyrolysis gasoline (PYGAS explains its insertion in the gasoline pool. However, its use is troublesome due to the presence of gum-forming chemicals which, in turn, can be removed via hydrogenation. The use of Langmuir-Hinshelwood kinetic models was evaluated for hydrogenation of styrene, a typical gum monomer, using Pd/9%Nb2O5-Al2O3 as catalyst. Kinetic models accounting for hydrogen dissociative and non-dissociative adsorption were considered. The availability of one or two kinds of catalytic sites was analyzed. Experiments were carried out in a semi-batch reactor at constant temperature and pressure in the absence of transport limitations. The conditions used in each experiment varied between 16 - 56 bar and 60 - 100 ºC for pressure and temperature, respectively. The kinetic models were evaluated using MATLAB and EMSO software. Models using adsorption of hydrogen and organic molecules on the same type of site fitted the data best.
A kinetic model for chemical neurotransmission
Ramirez-Santiago, Guillermo; Martinez-Valencia, Alejandro; Fernandez de Miguel, Francisco
Recent experimental observations in presynaptic terminals at the neuromuscular junction indicate that there are stereotyped patterns of cooperativeness in the fusion of adjacent vesicles. That is, a vesicle in hemifusion process appears on the side of a fused vesicle and which is followed by another vesicle in a priming state while the next one is in a docking state. In this talk we present a kinetic model for this morphological pattern in which each vesicle state previous to the exocytosis is represented by a kinetic state. This chain states kinetic model can be analyzed by means of a Master equation whose solution is simulated with the stochastic Gillespie algorithm. With this approach we have reproduced the responses to the basal release in the absence of stimulation evoked by the electrical activity and the phenomena of facilitation and depression of neuromuscular synapses. This model offers new perspectives to understand the underlying phenomena in chemical neurotransmission based on molecular interactions that result in the cooperativity between vesicles during neurotransmitter release. DGAPA Grants IN118410 and IN200914 and Conacyt Grant 130031.
Ertaş, Mehmet
2015-09-01
Keskin and Ertaş (2009) presented a study of the magnetic properties of a mixed spin (2, 5/2) ferrimagnetic Ising model within an oscillating magnetic field. They employed dynamic mean-field calculations to find the dynamic phase transition temperatures, the dynamic compensation points of the model and to present the dynamic phase diagrams. In this work, we extend the study and investigate the dynamic hysteresis behaviors for the two-dimensional (2D) mixed spin (2, 5/2) ferrimagnetic Ising model on a hexagonal lattice in an oscillating magnetic field within the framework of dynamic mean-field calculations. The dynamic hysteresis curves are obtained for both the ferromagnetic and antiferromagnetic interactions and the effects of the Hamiltonian parameters on the dynamic hysteresis behaviors are discussed in detail. The thermal behaviors of the coercivity and remanent magnetizations are also investigated. The results are compared with some theoretical and experimental works and a qualitatively good agreement is found. Finally, the dynamic phase diagrams depending on the frequency of an oscillating magnetic field in the plane of the reduced temperature versus magnetic field amplitude is examined and it is found that the dynamic phase diagrams display richer dynamic critical behavior for higher values of frequency than for lower values.
Kinetic modeling in PET imaging of hypoxia
Li, Fan; Joergensen, Jesper T; Hansen, Anders E; Kjaer, Andreas
2014-01-01
Tumor hypoxia is associated with increased therapeutic resistance leading to poor treatment outcome. Therefore the ability to detect and quantify intratumoral oxygenation could play an important role in future individual personalized treatment strategies. Positron Emission Tomography (PET) can be used for non-invasive mapping of tissue oxygenation in vivo and several hypoxia specific PET tracers have been developed. Evaluation of PET data in the clinic is commonly based on visual assessment together with semiquantitative measurements e.g. standard uptake value (SUV). However, dynamic PET contains additional valuable information on the temporal changes in tracer distribution. Kinetic modeling can be used to extract relevant pharmacokinetic parameters of tracer behavior in vivo that reflects relevant physiological processes. In this paper, we review the potential contribution of kinetic analysis for PET imaging of hypoxia. PMID:25250200
MATHEMATICAL MODELING OF ORANGE SEED DRYING KINETICS
Daniele Penteado Rosa
2015-06-01
Full Text Available Drying of orange seeds representing waste products from juice processing was studied in the temperatures of 40, 50, 60 and 70 °C and drying velocities of 0.6, 1.0 and 1.4 m/s. Experimental drying kinetics of orange seeds were obtained using a convective air forced dryer. Three thin-layer models: Page model, Lewis model, and the Henderson-Pabis model and the diffusive model were used to predict the drying curves. The Henderson-Pabis and the diffusive models show the best fitting performance and statistical evaluations. Moreover, the temperature dependence on the effective diffusivity followed an Arrhenius relationship, and the activation energies ranging from 16.174 to 16.842 kJ/mol
Kinetic electron model for plasma thruster plumes
Merino, Mario; Mauriño, Javier; Ahedo, Eduardo
2018-03-01
A paraxial model of an unmagnetized, collisionless plasma plume expanding into vacuum is presented. Electrons are treated kinetically, relying on the adiabatic invariance of their radial action integral for the integration of Vlasov's equation, whereas ions are treated as a cold species. The quasi-2D plasma density, self-consistent electric potential, and electron pressure, temperature, and heat fluxes are analyzed. In particular, the model yields the collisionless cooling of electrons, which differs from the Boltzmann relation and the simple polytropic laws usually employed in fluid and hybrid PIC/fluid plume codes.
Chemical kinetics and modeling of planetary atmospheres
Yung, Yuk L.
1990-01-01
A unified overview is presented for chemical kinetics and chemical modeling in planetary atmospheres. The recent major advances in the understanding of the chemistry of the terrestrial atmosphere make the study of planets more interesting and relevant. A deeper understanding suggests that the important chemical cycles have a universal character that connects the different planets and ultimately link together the origin and evolution of the solar system. The completeness (or incompleteness) of the data base for chemical kinetics in planetary atmospheres will always be judged by comparison with that for the terrestrial atmosphere. In the latter case, the chemistry of H, O, N, and Cl species is well understood. S chemistry is poorly understood. In the atmospheres of Jovian planets and Titan, the C-H chemistry of simple species (containing 2 or less C atoms) is fairly well understood. The chemistry of higher hydrocarbons and the C-N, P-N chemistry is much less understood. In the atmosphere of Venus, the dominant chemistry is that of chlorine and sulfur, and very little is known about C1-S coupled chemistry. A new frontier for chemical kinetics both in the Earth and planetary atmospheres is the study of heterogeneous reactions. The formation of the ozone hole on Earth, the ubiquitous photochemical haze on Venus and in the Jovian planets and Titan all testify to the importance of heterogeneous reactions. It remains a challenge to connect the gas phase chemistry to the production of aerosols.
Kinetic modelling of the Maillard reaction between proteins and sugars
Brands, C.M.J.
2002-01-01
Keywords: Maillard reaction, sugar isomerisation, kinetics, multiresponse modelling, brown colour formation, lysine damage, mutagenicity, casein, monosaccharides, disaccharides, aldoses, ketoses
The aim of this thesis was to determine the kinetics of the Maillard reaction between
Thermodynamically consistent model calibration in chemical kinetics
Goutsias John
2011-05-01
Full Text Available Abstract Background The dynamics of biochemical reaction systems are constrained by the fundamental laws of thermodynamics, which impose well-defined relationships among the reaction rate constants characterizing these systems. Constructing biochemical reaction systems from experimental observations often leads to parameter values that do not satisfy the necessary thermodynamic constraints. This can result in models that are not physically realizable and may lead to inaccurate, or even erroneous, descriptions of cellular function. Results We introduce a thermodynamically consistent model calibration (TCMC method that can be effectively used to provide thermodynamically feasible values for the parameters of an open biochemical reaction system. The proposed method formulates the model calibration problem as a constrained optimization problem that takes thermodynamic constraints (and, if desired, additional non-thermodynamic constraints into account. By calculating thermodynamically feasible values for the kinetic parameters of a well-known model of the EGF/ERK signaling cascade, we demonstrate the qualitative and quantitative significance of imposing thermodynamic constraints on these parameters and the effectiveness of our method for accomplishing this important task. MATLAB software, using the Systems Biology Toolbox 2.1, can be accessed from http://www.cis.jhu.edu/~goutsias/CSS lab/software.html. An SBML file containing the thermodynamically feasible EGF/ERK signaling cascade model can be found in the BioModels database. Conclusions TCMC is a simple and flexible method for obtaining physically plausible values for the kinetic parameters of open biochemical reaction systems. It can be effectively used to recalculate a thermodynamically consistent set of parameter values for existing thermodynamically infeasible biochemical reaction models of cellular function as well as to estimate thermodynamically feasible values for the parameters of new
Nam, Keekwon; Kim, Bongsoo; Park, Sangwoong; Lee, Sung Jong
2011-01-01
We present a numerical study on an interacting monomer–dimer model with nearest neighbor repulsion on a square lattice, which possesses two symmetric absorbing states. The model is observed to exhibit two nearby continuous transitions: the Z 2 symmetry-breaking order–disorder transition and the absorbing transition with directed percolation criticality. We find that the symmetry-breaking transition shows a non-Ising critical behavior, and that the absorbing phase becomes critical, in the sense that the critical decay of the dimer density observed at the absorbing transition persists even within the absorbing phase. Our findings call for further studies on microscopic models and the corresponding continuum description belonging to the generalized voter university class. (letter)
Modeling in applied sciences a kinetic theory approach
Pulvirenti, Mario
2000-01-01
Modeling complex biological, chemical, and physical systems, in the context of spatially heterogeneous mediums, is a challenging task for scientists and engineers using traditional methods of analysis Modeling in Applied Sciences is a comprehensive survey of modeling large systems using kinetic equations, and in particular the Boltzmann equation and its generalizations An interdisciplinary group of leading authorities carefully develop the foundations of kinetic models and discuss the connections and interactions between model theories, qualitative and computational analysis and real-world applications This book provides a thoroughly accessible and lucid overview of the different aspects, models, computations, and methodology for the kinetic-theory modeling process Topics and Features * Integrated modeling perspective utilized in all chapters * Fluid dynamics of reacting gases * Self-contained introduction to kinetic models * Becker–Doring equations * Nonlinear kinetic models with chemical reactions * Kinet...
Acceleration transforms and statistical kinetic models
LuValle, M.J.; Welsher, T.L.; Svoboda, K.
1988-01-01
For a restricted class of problems a mathematical model of microscopic degradation processes, statistical kinetics, is developed and linked through acceleration transforms to the information which can be obtained from a system in which the only observable sign of degradation is sudden and catastrophic failure. The acceleration transforms were developed in accelerated life testing applications as a tool for extrapolating from the observable results of an accelerated life test to the dynamics of the underlying degradation processes. A particular concern of a physicist attempting to interpreted the results of an analysis based on acceleration transforms is determining the physical species involved in the degradation process. These species may be (a) relatively abundant or (b) relatively rare. The main results of this paper are a theorem showing that for an important subclass of statistical kinetic models, acceleration transforms cannot be used to distinguish between cases a and b, and an example showing that in some cases falling outside the restrictions of the theorem, cases a and b can be distinguished by their acceleration transforms
Albano, Ezequiel V; Virgiliis, Andres de; Mueller, Marcus; Binder, Kurt
2004-01-01
Confined magnetic Ising films in a L x D geometry (L w (h). For T w (h) (T>T w (h)) such an interface is bounded (unbounded) to the walls, while right at T w (h) the interface is freely fluctuating around the centre of the film. Starting from disordered configurations, corresponding to T → ∞, we quench to the wetting critical temperature and study the dynamics of the approach to the stationary regime by means of extensive Monte Carlo simulations. It is found that for all layers parallel to the wall (rows), the row magnetizations exhibit a peak at a time τ max ∝ L 2 and subsequently relax to the stationary, equilibrium behaviour. The characteristic time for such a relaxation scales as τ R ∝ L 4 , as expected from theoretical arguments, that are discussed in detail
The quantum transverse spin-2 Ising model with a bimodal random-field in the pair approximation
Canko, O.; Albayrak, E.; Keskin, M.
2005-01-01
In this paper, we have investigated the bimodal random-field spin-2 Ising system in a transverse field by combining the pair approximation with the discretized path-integral representation. The exact equations for the second-order phase transition lines and tricritical points are obtained in terms of the random field H, the transverse field G and the coordination number z. It is found that there are some critical values for H and G where the tricritical points disappear for given z. We have also observed that the system presents reentrant behavior which may be caused by the quantum effects and randomness. The phase diagram with respect to the random field and the second-order phase transition temperature are studied extensively for given values of the transverse field and the coordination number
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
ISE System Development Methodology Manual
Hayhoe, G.F.
1992-02-17
The Information Systems Engineering (ISE) System Development Methodology Manual (SDM) is a framework of life cycle management guidelines that provide ISE personnel with direction, organization, consistency, and improved communication when developing and maintaining systems. These guide-lines were designed to allow ISE to build and deliver Total Quality products, and to meet the goals and requirements of the US Department of Energy (DOE), Westinghouse Savannah River Company, and Westinghouse Electric Corporation.
MODELLING OF KINETICS OF FLUORINE ADSORPTION ONTO MODIFIED DIATOMITE
VEACESLAV ZELENTSOV
2017-03-01
Full Text Available The paper presents kinetics modelling of adsorption of fluorine onto modified diatomite, its fundamental characteristics and mathematical derivations. Three models of defluoridation kinetics were used to fit the experimental results on adsorption fluorine onto diatomite: the pseudo-first order model Lagergren, the pseudo-second order model G. McKay and H.S. Ho and intraparticle diffusion model of W.J. Weber and J.C. Morris. Kinetics studies revealed that the adsorption of fluorine followed second-order rate model, complimented by intraparticle diffusion kinetics. The adsorption mechanism of fluorine involved three stages – external surface adsorption, intraparticle diffusion and the stage of equilibrium.
Holographic kinetic k-essence model
Cruz, Norman [Departamento de Fisica, Facultad de Ciencia, Universidad de Santiago de Chile, Casilla 307, Santiago (Chile)], E-mail: ncruz@lauca.usach.cl; Gonzalez-Diaz, Pedro F.; Rozas-Fernandez, Alberto [Colina de los Chopos, Instituto de Fisica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 121, 28006 Madrid (Spain)], E-mail: a.rozas@cfmac.csic.es; Sanchez, Guillermo [Departamento de Matematica y Ciencia de la Computacion, Facultad de Ciencia, Universidad de Santiago de Chile, Casilla 307, Santiago (Chile)], E-mail: gsanchez@usach.cl
2009-08-31
We consider a connection between the holographic dark energy density and the kinetic k-essence energy density in a flat FRW universe. With the choice c{>=}1, the holographic dark energy can be described by a kinetic k-essence scalar field in a certain way. In this Letter we show this kinetic k-essential description of the holographic dark energy with c{>=}1 and reconstruct the kinetic k-essence function F(X)
Kinetic depletion model for pellet ablation
Kuteev, Boris V.
2001-11-01
A kinetic model for depletion effect, which determines pellet ablation when the pellet passes a rational magnetic surface, is formulated. The model predicts a moderate decrease of the ablation rate compared with the earlier considered monoenergy versions [1, 2]. For typical T-10 conditions the ablation rate reduces by a reactor of 2.5 when the 1-mm pellet penetrates through the plasma center. A substantial deceleration of pellets -about 15% per centimeter of low shire rational q region; is predicted. Penetration for Low Field Side and High Field Side injections is considered taking into account modification of the electron distribution function by toroidal magnetic field. It is shown that Shafranov shift and toroidal effects yield the penetration length for HFS injection higher by a factor of 1.5. This fact should be taken into account when plasma-shielding effects on penetration are considered. (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...
Trobo, Marta L; Albano, Ezequiel V; Binder, Kurt
2014-08-01
We present a study of the critical behavior of the Blume-Capel model with three spin states (S=±1,0) confined between parallel walls separated by a distance L where competitive surface magnetic fields act. By properly choosing the crystal field (D), which regulates the density of nonmagnetic species (S=0), such that those impurities are excluded from the bulk (where D=-∞) except in the middle of the sample [where D(M)(L/2)≠-∞], we are able to control the presence of a defect line in the middle of the sample and study its influence on the interface between domains of different spin orientations. So essentially we study an Ising model with a defect line but, unlike previous work where defect lines in Ising models were defined via weakened bonds, in the present case the defect line is due to mobile vacancies and hence involves additional entropy. In this way, by drawing phase diagrams, i.e., plots of the wetting critical temperature (T(w)) versus the magnitude of the crystal field at the middle of the sample (D(M)), we observe curves of (first-) second-order wetting transitions for (small) high values of D(M). Theses lines meet in tricritical wetting points, i.e., (T(w)(tc),D(M)(tc)), which also depend on the magnitude of the surface magnetic fields. It is found that second-order wetting transitions satisfy the scaling theory for short-range interactions, while first-order ones do not exhibit hysteresis, provided that small samples are used, since fluctuations wash out hysteretic effects. Since hysteresis is observed in large samples, we performed extensive thermodynamic integrations in order to accurately locate the first-order transition points, and a rather good agreement is found by comparing such results with those obtained just by observing the jump of the order parameter in small samples.
Kinetic model of excess activated sludge thermohydrolysis.
Imbierowicz, Mirosław; Chacuk, Andrzej
2012-11-01
Thermal hydrolysis of excess activated sludge suspensions was carried at temperatures ranging from 423 K to 523 K and under pressure 0.2-4.0 MPa. Changes of total organic carbon (TOC) concentration in a solid and liquid phase were measured during these studies. At the temperature 423 K, after 2 h of the process, TOC concentration in the reaction mixture decreased by 15-18% of the initial value. At 473 K total organic carbon removal from activated sludge suspension increased to 30%. It was also found that the solubilisation of particulate organic matter strongly depended on the process temperature. At 423 K the transfer of TOC from solid particles into liquid phase after 1 h of the process reached 25% of the initial value, however, at the temperature of 523 K the conversion degree of 'solid' TOC attained 50% just after 15 min of the process. In the article a lumped kinetic model of the process of activated sludge thermohydrolysis has been proposed. It was assumed that during heating of the activated sludge suspension to a temperature in the range of 423-523 K two parallel reactions occurred. One, connected with thermal destruction of activated sludge particles, caused solubilisation of organic carbon and an increase of dissolved organic carbon concentration in the liquid phase (hydrolysate). The parallel reaction led to a new kind of unsolvable solid phase, which was further decomposed into gaseous products (CO(2)). The collected experimental data were used to identify unknown parameters of the model, i.e. activation energies and pre-exponential factors of elementary reactions. The mathematical model of activated sludge thermohydrolysis appropriately describes the kinetics of reactions occurring in the studied system. Copyright © 2012 Elsevier Ltd. All rights reserved.
Gálisová, Lucia; Strečka, Jozef
2018-05-01
The ground state, zero-temperature magnetization process, critical behaviour and isothermal entropy change of the mixed-spin Ising model on a decorated triangular lattice in a magnetic field are exactly studied after performing the generalized decoration-iteration mapping transformation. It is shown that both the inverse and conventional magnetocaloric effect can be found near the absolute zero temperature. The former phenomenon can be found in a vicinity of the discontinuous phase transitions and their crossing points, while the latter one occurs in some paramagnetic phases due to a spin frustration to be present at zero magnetic field. The inverse magnetocaloric effect can also be detected slightly above continuous phase transitions following the power-law dependence | - ΔSisomin | ∝hn, where n depends basically on the ground-state spin ordering.
Fitzenreiter, R. J.; Scudder, J. D.; Klimas, A. J.
1990-01-01
A model which is consistent with the solar wind and shock surface boundary conditions for the foreshock electron distribution in the absence of wave-particle effects is formulated for an arbitrary location behind the magnetic tangent to the earth's bow shock. Variations of the gyrophase-averaged velocity distribution are compared and contrasted with in situ ISEE observations. It is found that magnetic mirroring of solar wind electrons is the most important process by which nonmonotonic reduced electron distributions in the foreshock are produced. Leakage of particles from the magnetosheath is shown to be relatively unimportant in determining reduced distributions that are nonmonotonic. The two-dimensional distribution function off the magnetic field direction is the crucial contribution in producing reduced distributions which have beams. The time scale for modification of the electron velocity distribution in velocity space can be significantly influenced by steady state spatial gradients in the background imposed by the curved shock geometry.
Ren, Xiu'e; Chen, Jianbiao; Li, Gang; Wang, Yanhong; Lang, Xuemei; Fan, Shuanshi
2018-08-01
The study concerned the thermal oxidative degradation kinetics of agricultural residues, peanut shell (PS) and sunflower shell (SS). The thermal behaviors were evaluated via thermogravimetric analysis and the kinetic parameters were determined by using distributed activation energy model (DAEM) and global kinetic model (GKM). Results showed that thermal oxidative decomposition of two samples processed in three zones; the ignition, burnout, and comprehensive combustibility between two agricultural residues were of great difference; and the combustion performance could be improved by boosting heating rate. The activation energy ranges calculated by the DAEM for the thermal oxidative degradation of PS and SS were 88.94-145.30 kJ mol -1 and 94.86-169.18 kJ mol -1 , respectively. The activation energy obtained by the GKM for the oxidative decomposition of hemicellulose and cellulose was obviously lower than that for the lignin oxidation at identical heating rate. To some degree, the determined kinetic parameters could acceptably simulate experimental data. Copyright © 2018 Elsevier Ltd. All rights reserved.
A discontinuous Galerkin method on kinetic flocking models
Tan, Changhui
2014-01-01
We study kinetic representations of flocking models. They arise from agent-based models for self-organized dynamics, such as Cucker-Smale and Motsch-Tadmor models. We prove flocking behavior for the kinetic descriptions of flocking systems, which indicates a concentration in velocity variable in infinite time. We propose a discontinuous Galerkin method to treat the asymptotic $\\delta$-singularity, and construct high order positive preserving scheme to solve kinetic flocking systems.
Statistically interacting quasiparticles in Ising chains
Lu Ping; Vanasse, Jared; Piecuch, Christopher; Karbach, Michael; Mueller, Gerhard
2008-01-01
The exclusion statistics of two complementary sets of quasiparticles, generated from opposite ends of the spectrum, are identified for Ising chains with spin s = 1/2, 1. In the s = 1/2 case the two sets are antiferromagnetic domain walls (solitons) and ferromagnetic domains (strings). In the s = 1 case they are soliton pairs and nested strings, respectively. The Ising model is equivalent to a system of two species of solitons for s = 1/2 and to a system of six species of soliton pairs for s = 1. Solitons exist on single bonds but soliton pairs may be spread across many bonds. The thermodynamics of a system of domains spanning up to M lattice sites is amenable to exact analysis and shown to become equivalent, in the limit M → ∞, to the thermodynamics of the s = 1/2 Ising chain. A relation is presented between the solitons in the Ising limit and the spinons in the XX limit of the s = 1/2 XXZ chain
Híjar, Humberto; Sutmann, Godehard
2008-01-01
Non-equilibrium methods for estimating free energy differences are used in order to calculate the interfacial tension between domains with opposite magnetizations in two-dimensional Ising lattices. Non-equilibrium processes are driven by changing the boundary conditions for two opposite sides of the lattice from periodic to antiperiodic and vice versa. This mechanism, which promotes the appearance and disappearance of the interface, is studied by means of Monte Carlo simulations performed at different rates and using different algorithms, thus allowing for testing the applicability of non-equilibrium methods for processes driven far from or close to equilibrium. Interfaces in lattices with different widths and heights are studied and the interface tension as a function of these quantities is obtained. It is found that the estimates of the interfacial tension from non-equilibrium procedures are in good agreement with previous reports as well as with exact results. The efficiency of the different procedures used is analyzed and the dynamics of the interface under these perturbations is briefly discussed. A method for determining the efficiency of non-equilibrium methods as regards thermodynamic perturbation is also presented. It is found that for all cases studied, the Crooks non-equilibrium method for estimating free energy differences is the most efficient one
Thermoluminescence of zircon: a kinetic model
Turkin, A A; Vainshtein, D I; Hartog, H W D
2003-01-01
The mineral zircon, ZrSiO sub 4 , belongs to a class of promising materials for geochronometry by means of thermoluminescence (TL) dating. The development of a reliable and reproducible method for TL dating with zircon requires detailed knowledge of the processes taking place during exposure to ionizing radiation, long-term storage, annealing at moderate temperatures and heating at a constant rate (TL measurements). To understand these processes one needs a kinetic model of TL. This paper is devoted to the construction of such a model. The goal is to study the qualitative behaviour of the system and to determine the parameters and processes controlling TL phenomena of zircon. The model considers the following processes: (i) Filling of electron and hole traps at the excitation stage as a function of the dose rate and the dose for both (low dose rate) natural and (high dose rate) laboratory irradiation. (ii) Time dependence of TL fading in samples irradiated under laboratory conditions. (iii) Short time anneali...
Reflected kinetics model for nuclear space reactor kinetics and control scoping calculations
Washington, K.E.
1986-05-01
The objective of this research is to develop a model that offers an alternative to the point kinetics (PK) modelling approach in the analysis of space reactor kinetics and control studies. Modelling effort will focus on the explicit treatment of control drums as reactivity input devices so that the transition to automatic control can be smoothly done. The proposed model is developed for the specific integration of automatic control and the solution of the servo mechanism problem. The integration of the kinetics model with an automatic controller will provide a useful tool for performing space reactor scoping studies for different designs and configurations. Such a tool should prove to be invaluable in the design phase of a space nuclear system from the point of view of kinetics and control limitations.
Reflected kinetics model for nuclear space reactor kinetics and control scoping calculations
Washington, K.E.
1986-05-01
The objective of this research is to develop a model that offers an alternative to the point kinetics (PK) modelling approach in the analysis of space reactor kinetics and control studies. Modelling effort will focus on the explicit treatment of control drums as reactivity input devices so that the transition to automatic control can be smoothly done. The proposed model is developed for the specific integration of automatic control and the solution of the servo mechanism problem. The integration of the kinetics model with an automatic controller will provide a useful tool for performing space reactor scoping studies for different designs and configurations. Such a tool should prove to be invaluable in the design phase of a space nuclear system from the point of view of kinetics and control limitations
On Ising - Onsager problem in external magnetic field
Kochmanski, M.S.
1997-01-01
In this paper a new approach to solving the Ising - Onsager problem in external magnetic field is investigated. The expression for free energy on one Ising spin in external field both for the two dimensional and three dimensional Ising model with interaction of the nearest neighbors are derived. The representations of free energy being expressed by multidimensional integrals of Gauss type with the appropriate dimensionality are shown. Possibility of calculating the integrals and the critical indices on the base of the derived representations for free energy is investigated
Supercritical kinetic analysis in simplified system of fuel debris using integral kinetic model
Tuya, Delgersaikhan; Obara, Toru
2016-01-01
Highlights: • Kinetic analysis in simplified weakly coupled fuel debris system was performed. • The integral kinetic model was used to simulate criticality accidents. • The fission power and released energy during simulated accident were obtained. • Coupling between debris regions and its effect on the fission power was obtained. - Abstract: Preliminary prompt supercritical kinetic analyses in a simplified coupled system of fuel debris designed to roughly resemble a melted core of a nuclear reactor were performed using an integral kinetic model. The integral kinetic model, which can describe region- and time-dependent fission rate in a coupled system of arbitrary geometry, was used because the fuel debris system is weakly coupled in terms of neutronics. The results revealed some important characteristics of coupled systems, such as the coupling between debris regions and the effect of the coupling on the fission rate and released energy in each debris region during the simulated criticality accident. In brief, this study showed that the integral kinetic model can be applied to supercritical kinetic analysis in fuel debris systems and also that it can be a useful tool for investigating the effect of the coupling on consequences of a supercritical accident.
Fully implicit kinetic modelling of collisional plasmas
Mousseau, V.A.
1996-05-01
This dissertation describes a numerical technique, Matrix-Free Newton Krylov, for solving a simplified Vlasov-Fokker-Planck equation. This method is both deterministic and fully implicit, and may not have been a viable option before current developments in numerical methods. Results are presented that indicate the efficiency of the Matrix-Free Newton Krylov method for these fully-coupled, nonlinear integro-differential equations. The use and requirement for advanced differencing is also shown. To this end, implementations of Chang-Cooper differencing and flux limited Quadratic Upstream Interpolation for Convective Kinematics (QUICK) are presented. Results are given for a fully kinetic ion-electron problem with a self consistent electric field calculated from the ion and electron distribution functions. This numerical method, including advanced differencing, provides accurate solutions, which quickly converge on workstation class machines. It is demonstrated that efficient steady-state solutions can be achieved to the non-linear integro-differential equation, obtaining quadratic convergence, without incurring the large memory requirements of an integral operator. Model problems are presented which simulate plasma impinging on a plate with both high and low neutral particle recycling typical of a divertor in a Tokamak device. These model problems demonstrate the performance of the new solution method
Kinetic modeling of cell metabolism for microbial production.
Costa, Rafael S; Hartmann, Andras; Vinga, Susana
2016-02-10
Kinetic models of cellular metabolism are important tools for the rational design of metabolic engineering strategies and to explain properties of complex biological systems. The recent developments in high-throughput experimental data are leading to new computational approaches for building kinetic models of metabolism. Herein, we briefly survey the available databases, standards and software tools that can be applied for kinetic models of metabolism. In addition, we give an overview about recently developed ordinary differential equations (ODE)-based kinetic models of metabolism and some of the main applications of such models are illustrated in guiding metabolic engineering design. Finally, we review the kinetic modeling approaches of large-scale networks that are emerging, discussing their main advantages, challenges and limitations. Copyright © 2015 Elsevier B.V. All rights reserved.
Kinetic modeling in pre-clinical positron emission tomography
Kuntner, Claudia [AIT Austrian Institute of Technology GmbH, Seibersdorf (Austria). Biomedical Systems, Health and Environment Dept.
2014-07-01
Pre-clinical positron emission tomography (PET) has evolved in the last few years from pure visualization of radiotracer uptake and distribution towards quantification of the physiological parameters. For reliable and reproducible quantification the kinetic modeling methods used to obtain relevant parameters of radiotracer tissue interaction are important. Here we present different kinetic modeling techniques with a focus on compartmental models including plasma input models and reference tissue input models. The experimental challenges of deriving the plasma input function in rodents and the effect of anesthesia are discussed. Finally, in vivo application of kinetic modeling in various areas of pre-clinical research is presented and compared to human data.
Kinetic models of cell growth, substrate utilization and bio ...
Bio-decolorization kinetic studies of distillery effluent in a batch culture were conducted using Aspergillus fumigatus. A simple model was proposed using the Logistic Equation for the growth, Leudeking-Piret kinetics for bio-decolorization, and also for substrate utilization. The proposed models appeared to provide a suitable ...
Performance of neutron kinetics models for ADS transient analyses
Rineiski, A.; Maschek, W.; Rimpault, G.
2002-01-01
Within the framework of the SIMMER code development, neutron kinetics models for simulating transients and hypothetical accidents in advanced reactor systems, in particular in Accelerator Driven Systems (ADSs), have been developed at FZK/IKET in cooperation with CE Cadarache. SIMMER is a fluid-dynamics/thermal-hydraulics code, coupled with a structure model and a space-, time- and energy-dependent neutronics module for analyzing transients and accidents. The advanced kinetics models have also been implemented into KIN3D, a module of the VARIANT/TGV code (stand-alone neutron kinetics) for broadening application and for testing and benchmarking. In the paper, a short review of the SIMMER and KIN3D neutron kinetics models is given. Some typical transients related to ADS perturbations are analyzed. The general models of SIMMER and KIN3D are compared with more simple techniques developed in the context of this work to get a better understanding of the specifics of transients in subcritical systems and to estimate the performance of different kinetics options. These comparisons may also help in elaborating new kinetics models and extending existing computation tools for ADS transient analyses. The traditional point-kinetics model may give rather inaccurate transient reaction rate distributions in an ADS even if the material configuration does not change significantly. This inaccuracy is not related to the problem of choosing a 'right' weighting function: the point-kinetics model with any weighting function cannot take into account pronounced flux shape variations related to possible significant changes in the criticality level or to fast beam trips. To improve the accuracy of the point-kinetics option for slow transients, we have introduced a correction factor technique. The related analyses give a better understanding of 'long-timescale' kinetics phenomena in the subcritical domain and help to evaluate the performance of the quasi-static scheme in a particular case. One
Bayesian inference of chemical kinetic models from proposed reactions
Galagali, Nikhil; Marzouk, Youssef M.
2015-01-01
© 2014 Elsevier Ltd. Bayesian inference provides a natural framework for combining experimental data with prior knowledge to develop chemical kinetic models and quantify the associated uncertainties, not only in parameter values but also in model
A kinetic model for the penicillin biosynthetic pathway in
Nielsen, Jens; Jørgensen, Henrik
1996-01-01
A kinetic model for the first two steps in the penicillin biosynthetic pathway, i.e. the ACV synthetase (ACVS) and the isopenicillin N synthetase (IPNS) is proposed. The model is based on Michaelis-Menten type kinetics with non-competitive inhibition of the ACVS by ACV, and competitive inhibition...... of the IPNS by glutathione. The model predicted flux through the pathway corresponds well with the measured rate of penicillin biosynthesis. From the kinetic model the elasticity coefficients and the flux control coefficients are calculated throughout a fed-batch cultivation, and it is found...
Kinetics and hybrid kinetic-fluid models for nonequilibrium gas and plasmas
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)
A balance principle approach for modeling phase transformation kinetics
Lusk, M.; Krauss, G.; Jou, H.J.
1995-01-01
A balance principle is offered to model volume fraction kinetics of phase transformation kinetics at a continuum level. This microbalance provides a differential equation for transformation kinetics which is coupled to the differential equations governing the mechanical and thermal aspects of the process. Application here is restricted to diffusive transformations for the sake of clarity, although the principle is discussed for martensitic phase transitions as well. Avrami-type kinetics are shown to result from a special class of energy functions. An illustrative example using a 0.5% C Chromium steel demonstrates how TTT and CCT curves can be generated using a particularly simple effective energy function. (orig.)
Tadić, Bosiljka
2018-03-01
We study dynamics of a built-in domain wall (DW) in 2-dimensional disordered ferromagnets with different sample shapes using random-field Ising model on a square lattice rotated by 45 degrees. The saw-tooth DW of the length Lx is created along one side and swept through the sample by slow ramping of the external field until the complete magnetisation reversal and the wall annihilation at the open top boundary at a distance Ly. By fixing the number of spins N =Lx ×Ly = 106 and the random-field distribution at a value above the critical disorder, we vary the ratio of the DW length to the annihilation distance in the range Lx /Ly ∈ [ 1 / 16 , 16 ] . The periodic boundary conditions are applied in the y-direction so that these ratios comprise different samples, i.e., surfaces of cylinders with the changing perimeter Lx and height Ly. We analyse the avalanches of the DW slips between following field updates, and the multifractal structure of the magnetisation fluctuation time series. Our main findings are that the domain-wall lengths materialised in different sample shapes have an impact on the dynamics at all scales. Moreover, the domain-wall motion at the beginning of the hysteresis loop (HLB) probes the disorder effects resulting in the fluctuations that are significantly different from the large avalanches in the central part of the loop (HLC), where the strong fields dominate. Specifically, the fluctuations in HLB exhibit a wide multi-fractal spectrum, which shifts towards higher values of the exponents when the DW length is reduced. The distributions of the avalanches in this segments of the loops obey power-law decay and the exponential cutoffs with the exponents firmly in the mean-field universality class for long DW. In contrast, the avalanches in the HLC obey Tsallis density distribution with the power-law tails which indicate the new categories of the scale invariant behaviour for different ratios Lx /Ly. The large fluctuations in the HLC, on the other
Kinetic models in spin chemistry. 1. The hyperfine interaction
Mojaza, M.; Pedersen, J. B.
2012-01-01
Kinetic models for quantum systems are quite popular due to their simplicity, although they are difficult to justify. We show that the transformation from quantum to kinetic description can be done exactly for the hyperfine interaction of one nuclei with arbitrary spin; more spins are described w...... induced enhancement of the reaction yield. (C) 2012 Elsevier B.V. All rights reserved....
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.
Cheraghalizadeh, J.; Najafi, M. N.; Dashti-Naserabadi, H.; Mohammadzadeh, H.
2017-11-01
The self-organized criticality on the random fractal networks has many motivations, like the movement pattern of fluid in the porous media. In addition to the randomness, introducing correlation between the neighboring portions of the porous media has some nontrivial effects. In this paper, we consider the Ising-like interactions between the active sites as the simplest method to bring correlations in the porous media, and we investigate the statistics of the BTW model in it. These correlations are controlled by the artificial "temperature" T and the sign of the Ising coupling. Based on our numerical results, we propose that at the Ising critical temperature Tc the model is compatible with the universality class of two-dimensional (2D) self-avoiding walk (SAW). Especially the fractal dimension of the loops, which are defined as the external frontier of the avalanches, is very close to DfSAW=4/3 . Also, the corresponding open curves has conformal invariance with the root-mean-square distance Rrms˜t3 /4 (t being the parametrization of the curve) in accordance with the 2D SAW. In the finite-size study, we observe that at T =Tc the model has some aspects compatible with the 2D BTW model (e.g., the 1 /log(L ) -dependence of the exponents of the distribution functions) and some in accordance with the Ising model (e.g., the 1 /L -dependence of the fractal dimensions). The finite-size scaling theory is tested and shown to be fulfilled for all statistical observables in T =Tc . In the off-critical temperatures in the close vicinity of Tc the exponents show some additional power-law behaviors in terms of T -Tc with some exponents that are reported in the text. The spanning cluster probability at the critical temperature also scales with L1/2, which is different from the regular 2D BTW model.
One-dimensional reactor kinetics model for RETRAN
Gose, G.C.; Peterson, C.E.; Ellis, N.L.; McClure, J.A.
1981-01-01
This paper describes a one-dimensional spatial neutron kinetics model that was developed for the RETRAN code. The RETRAN -01 code has a point kinetics model to describe the reactor core behavior during thermal-hydraulic transients. A one-dimensional neutronics model has been developed for RETRAN-02. The ability to account for flux shape changes will permit an improved representation of the thermal and hydraulic feedback effects for many operational transients. 19 refs
Lumping procedure for a kinetic model of catalytic naphtha reforming
H. M. Arani
2009-12-01
Full Text Available A lumping procedure is developed for obtaining kinetic and thermodynamic parameters of catalytic naphtha reforming. All kinetic and deactivation parameters are estimated from industrial data and thermodynamic parameters are calculated from derived mathematical expressions. The proposed model contains 17 lumps that include the C6 to C8+ hydrocarbon range and 15 reaction pathways. Hougen-Watson Langmuir-Hinshelwood type reaction rate expressions are used for kinetic simulation of catalytic reactions. The kinetic parameters are benchmarked with several sets of plant data and estimated by the SQP optimization method. After calculation of deactivation and kinetic parameters, plant data are compared with model predictions and only minor deviations between experimental and calculated data are generally observed.
COMPARATIVE ANALYSIS OF SOME EXISTING KINETIC MODELS ...
The biosorption of three heavy metal ions namely; Zn2+, Cu2+ and Mn2+ using five microorganisms namely; Bacillus circulans, Pseudomonas aeruginosa, Staphylococcus xylosus, Streptomyces rimosus and Yeast (Saccharomyces sp.) were studied. In this paper, the effectiveness of six existing and two proposed kinetic ...
A critical look at the kinetic models of thermoluminescence-II. Non-first order kinetics
Sunta, C M; Ayta, W E F; Chubaci, J F D; Watanabe, S
2005-01-01
Non-first order (FO) kinetics models are of three types; second order (SO), general order (GO) and mixed order (MO). It is shown that all three of these have constraints in their energy level schemes and their applicable parameter values. In nature such restrictions are not expected to exist. The thermoluminescence (TL) glow peaks produced by these models shift their position and change their shape as the trap occupancies change. Such characteristics are very unlike those found in samples of real materials. In these models, in general, retrapping predominates over recombination. It is shown that the quasi-equilibrium (QE) assumption implied in the derivation of the TL equation of these models is quite valid, thus disproving earlier workers' conclusion that QE cannot be held under retrapping dominant conditions. However notwithstanding their validity, they suffer from the shortcomings as stated above and have certain lacunae. For example, the kinetic order (KO) parameter and the pre-exponential factor which are assumed to be the constant parameters of the GO kinetics expression turn out to be variables when this expression is applied to plausible physical models. Further, in glow peak characterization using the GO expression, the quality of fit is found to deteriorate when the best fitted value of KO parameter is different from 1 and 2. This means that the found value of the basic parameter, namely the activation energy, becomes subject to error. In the MO kinetics model, the value of the KO parameter α would change with dose, and thus in this model also, as in the GO model, no single value of KO can be assigned to a given glow peak. The paper discusses TL of real materials having characteristics typically like those of FO kinetics. Theoretically too, a plausible physical model of TL emission produces glow peaks which have characteristics of FO kinetics under a wide variety of parametric combinations. In the background of the above findings, it is suggested that
comparative analysis of some existing kinetic models with proposed
IGNATIUS NWIDI
two statistical parameters namely; linear regression coefficient of correlation (R2) and ... Keynotes: Heavy metals, Biosorption, Kinetics Models, Comparative analysis, Average Relative Error. 1. ... If the flow rate is low, a simple manual batch.
Improved Kinetic Models for High-Speed Combustion Simulation
Montgomery, C. J; Tang, Q; Sarofim, A. F; Bockelie, M. J; Gritton, J. K; Bozzelli, J. W; Gouldin, F. C; Fisher, E. M; Chakravarthy, S
2008-01-01
Report developed under an STTR contract. The overall goal of this STTR project has been to improve the realism of chemical kinetics in computational fluid dynamics modeling of hydrocarbon-fueled scramjet combustors...
Physical characterization and kinetic modelling of matrix tablets of ...
release mechanisms were characterized by kinetic modeling. Analytical ... findings demonstrate that both the desired physical characteristics and drug release profiles were obtained ..... on the compression, mechanical, and release properties.
Study of growth kinetic and modeling of ethanol production by ...
... coefficient (0.96299). Based on Leudking-Piret model, it could be concluded that ethanol batch fermentation is a non-growth associated process. Key words: Kinetic parameters, simulation, cell growth, ethanol, Saccharomyces cerevisiae.
Analysis of a kinetic multi-segment foot model part II: kinetics and clinical implications.
Bruening, Dustin A; Cooney, Kevin M; Buczek, Frank L
2012-04-01
Kinematic multi-segment foot models have seen increased use in clinical and research settings, but the addition of kinetics has been limited and hampered by measurement limitations and modeling assumptions. In this second of two companion papers, we complete the presentation and analysis of a three segment kinetic foot model by incorporating kinetic parameters and calculating joint moments and powers. The model was tested on 17 pediatric subjects (ages 7-18 years) during normal gait. Ground reaction forces were measured using two adjacent force platforms, requiring targeted walking and the creation of two sub-models to analyze ankle, midtarsal, and 1st metatarsophalangeal joints. Targeted walking resulted in only minimal kinematic and kinetic differences compared with walking at self selected speeds. Joint moments and powers were calculated and ensemble averages are presented as a normative database for comparison purposes. Ankle joint powers are shown to be overestimated when using a traditional single-segment foot model, as substantial angular velocities are attributed to the mid-tarsal joint. Power transfer is apparent between the 1st metatarsophalangeal and mid-tarsal joints in terminal stance/pre-swing. While the measurement approach presented here is limited to clinical populations with only minimal impairments, some elements of the model can also be incorporated into routine clinical gait analysis. Copyright © 2011 Elsevier B.V. All rights reserved.
Molecular Dynamics Simulations of Kinetic Models for Chiral Dominance in Soft Condensed Matter
Toxvaerd, Søren
2001-01-01
Molecular dynamics simulation, models for isomerization kinetics, origin of biomolecular chirality......Molecular dynamics simulation, models for isomerization kinetics, origin of biomolecular chirality...
Fitzenreiter, R.J.; Scudder, J.D.; Klimas, A.J.
1990-01-01
A model of the gyrophase-averaged electron distribution in the Earth's foreshock consistent with boundary conditions at the bow shock and in the solar wind has been constructed according to the reversible guiding center characteristics and compared with ISEE electron and wave observations. This model demonstrates (1) that the basic features and morphology of beams in the observed and reduced distributions F(υ parallel ) are determined almost exclusively by the solar wind electrons mirrored at the shock's magnetic ramp and are relatively insensitive to the leakage fluxes from the magnetosheath, (2) that the wave particle modifications have been detected by contrasting the reversible model with the direct observations, (3) that the nonmonotonic reduced distributions F(υ parallel ) are rarely the result of a nonmonotonic energy spectra but are rather the result of the transverse velocity space integration necessary to produce F(υ parallel ) from the directly observed electron distribution function f(v), (4) that the time scale for beam resupply to F(υ parallel ) from the dc spatial gradients of the self-consistent reversible distribution function can have a factor of 100 variation across the foreshock, being shortest within a few degrees of the magnetic tangent surface, (5) that the beams predicted by the model have strongly varying and correlated variations of mean energy, thermal spread, and number density with angular departure from the magnetic tangent with the coldest, most tenuous, and lowest mean energy beams suggested to be present deep behind the magnetic tangent (≅5 degree-10 degree), and (6) that the lowest-energy beams have low contrast to the background solar wind distributing and although difficult to detect have beam density and temperature parameters compatible with ω pe growth of electrostatic waves
Quantum Ising chains with boundary fields
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)
Krivtcova Nadezhda
2016-01-01
Full Text Available Modelling of sulfur compounds kinetics was performed, including kinetics of benzothiophene and dibenzothiophene homologues. Modelling is based on experimental data obtained from monitoring of industrial hydrotreating set. Obtained results include kinetic parameters of reactions.
Krivtsova, Nadezhda Igorevna; Tataurshikov, A.; Kotkova, Elena
2016-01-01
Modelling of sulfur compounds kinetics was performed, including kinetics of benzothiophene and dibenzothiophene homologues. Modelling is based on experimental data obtained from monitoring of industrial hydrotreating set. Obtained results include kinetic parameters of reactions.
Wang, Zhandong; Zhao, Long; Wang, Yu; Bian, Huiting; Zhang, Lidong; Zhang, Feng; Li, Yuyang; Sarathy, Mani; Qi, Fei
2015-01-01
species were evaluated, and good agreement was observed between the PIMS and GC data sets. Furthermore, a fuel-rich burner-stabilized laminar premixed ECH/O2/Ar flame at 30Torr was studied using synchrotron VUV PIMS. A detailed kinetic model for ECH high
Detailed Chemical Kinetic Modeling of Hydrazine Decomposition
Meagher, Nancy E.; Bates, Kami R.
2000-01-01
The purpose of this research project is to develop and validate a detailed chemical kinetic mechanism for gas-phase hydrazine decomposition. Hydrazine is used extensively in aerospace propulsion, and although liquid hydrazine is not considered detonable, many fuel handling systems create multiphase mixtures of fuels and fuel vapors during their operation. Therefore, a thorough knowledge of the decomposition chemistry of hydrazine under a variety of conditions can be of value in assessing potential operational hazards in hydrazine fuel systems. To gain such knowledge, a reasonable starting point is the development and validation of a detailed chemical kinetic mechanism for gas-phase hydrazine decomposition. A reasonably complete mechanism was published in 1996, however, many of the elementary steps included had outdated rate expressions and a thorough investigation of the behavior of the mechanism under a variety of conditions was not presented. The current work has included substantial revision of the previously published mechanism, along with a more extensive examination of the decomposition behavior of hydrazine. An attempt to validate the mechanism against the limited experimental data available has been made and was moderately successful. Further computational and experimental research into the chemistry of this fuel needs to be completed.
A new mathematical model for coal flotation kinetics
Guerrero-Pérez, Juan Sebastián; Barraza-Burgos, Juan Manuel
2017-01-01
Abstract This study describes the development and formulation of a novel mathematical model for coal flotation kinetic. The flotation rate was considered as a function of chemical, operating and petrographic parameters for a global flotation order n. The equation for flotation rate was obtained by dimensional analysis using the Rayleigh method. It shows the dependency of flotation kinetic on operating parameters, such as air velocity and particle size; chemical parameters, such as reagents do...
Modelling opinion formation by means of kinetic equations
Boudin , Laurent; Salvarani , Francesco
2010-01-01
In this chapter, we review some mechanisms of opinion dynamics that can be modelled by kinetic equations. Beside the sociological phenomenon of compromise, naturally linked to collisional operators of Boltzmann kind, many other aspects, already mentioned in the sociophysical literature or no, can enter in this framework. While describing some contributions appeared in the literature, we enlighten some mathematical tools of kinetic theory that can be useful in the context of sociophysics.
Wang, Zhandong
2015-07-01
Ethylcyclohexane (ECH) is a model compound for cycloalkanes with long alkyl side-chains. A preliminary investigation on ECH (Wang et al., Proc. Combust. Inst., 35, 2015, 367-375) revealed that an accurate ECH kinetic model with detailed fuel consumption mechanism and aromatic growth pathways, as well as additional ECH pyrolysis and oxidation data with detailed species concentration covering a wide pressure and temperature range are required to understand the ECH combustion kinetics. In this work, the flow reactor pyrolysis of ECH at various pressures (30, 150 and 760Torr) was studied using synchrotron vacuum ultraviolet (VUV) photoionization mass spectrometry (PIMS) and gas chromatography (GC). The mole fraction profiles of numerous major and minor species were evaluated, and good agreement was observed between the PIMS and GC data sets. Furthermore, a fuel-rich burner-stabilized laminar premixed ECH/O2/Ar flame at 30Torr was studied using synchrotron VUV PIMS. A detailed kinetic model for ECH high temperature pyrolysis and oxidation was developed and validated against the pyrolysis and flame data performed in this work. Further validation of the kinetic model is presented against literature data including species concentrations in jet-stirred reactor oxidation, ignition delay times in a shock tube, and laminar flame speeds at various pressures and equivalence ratios. The model well predicts the consumption of ECH, the growth of aromatics, and the global combustion properties. Reaction flux and sensitivity analysis were utilized to elucidate chemical kinetic features of ECH combustion under various reaction conditions. © 2015 The Combustion Institute.
Chemical kinetic modeling of H{sub 2} applications
Marinov, N.M.; Westbrook, C.K.; Cloutman, L.D. [Lawrence Livermore National Lab., CA (United States)] [and others
1995-09-01
Work being carried out at LLNL has concentrated on studies of the role of chemical kinetics in a variety of problems related to hydrogen combustion in practical combustion systems, with an emphasis on vehicle propulsion. Use of hydrogen offers significant advantages over fossil fuels, and computer modeling provides advantages when used in concert with experimental studies. Many numerical {open_quotes}experiments{close_quotes} can be carried out quickly and efficiently, reducing the cost and time of system development, and many new and speculative concepts can be screened to identify those with sufficient promise to pursue experimentally. This project uses chemical kinetic and fluid dynamic computational modeling to examine the combustion characteristics of systems burning hydrogen, either as the only fuel or mixed with natural gas. Oxidation kinetics are combined with pollutant formation kinetics, including formation of oxides of nitrogen but also including air toxics in natural gas combustion. We have refined many of the elementary kinetic reaction steps in the detailed reaction mechanism for hydrogen oxidation. To extend the model to pressures characteristic of internal combustion engines, it was necessary to apply theoretical pressure falloff formalisms for several key steps in the reaction mechanism. We have continued development of simplified reaction mechanisms for hydrogen oxidation, we have implemented those mechanisms into multidimensional computational fluid dynamics models, and we have used models of chemistry and fluid dynamics to address selected application problems. At the present time, we are using computed high pressure flame, and auto-ignition data to further refine the simplified kinetics models that are then to be used in multidimensional fluid mechanics models. Detailed kinetics studies have investigated hydrogen flames and ignition of hydrogen behind shock waves, intended to refine the detailed reactions mechanisms.
RELAP5 kinetics model development for the Advanced Test Reactor
Judd, J.L.; Terry, W.K.
1990-01-01
A point-kinetics model of the Advanced Test Reactor has been developed for the RELAP5 code. Reactivity feedback parameters were calculated by a three-dimensional analysis with the PDQ neutron diffusion code. Analyses of several hypothetical reactivity insertion events by the new model and two earlier models are discussed. 3 refs., 10 figs., 6 tabs
A tool model for predicting atmospheric kinetics with sensitivity analysis
无
2001-01-01
A package( a tool model) for program of predicting atmospheric chemical kinetics with sensitivity analysis is presented. The new direct method of calculating the first order sensitivity coefficients using sparse matrix technology to chemical kinetics is included in the tool model, it is only necessary to triangularize the matrix related to the Jacobian matrix of the model equation. The Gear type procedure is used to integrate amodel equation and its coupled auxiliary sensitivity coefficient equations. The FORTRAN subroutines of the model equation, the sensitivity coefficient equations, and their Jacobian analytical expressions are generated automatically from a chemical mechanism. The kinetic representation for the model equation and its sensitivity coefficient equations, and their Jacobian matrix is presented. Various FORTRAN subroutines in packages, such as SLODE, modified MA28, Gear package, with which the program runs in conjunction are recommended.The photo-oxidation of dimethyl disulfide is used for illustration.
Reactor kinetics revisited: a coefficient based model (CBM)
Ratemi, W.M.
2011-01-01
In this paper, a nuclear reactor kinetics model based on Guelph expansion coefficients calculation ( Coefficients Based Model, CBM), for n groups of delayed neutrons is developed. The accompanying characteristic equation is a polynomial form of the Inhour equation with the same coefficients of the CBM- kinetics model. Those coefficients depend on Universal abc- values which are dependent on the type of the fuel fueling a nuclear reactor. Furthermore, such coefficients are linearly dependent on the inserted reactivity. In this paper, the Universal abc- values have been presented symbolically, for the first time, as well as with their numerical values for U-235 fueled reactors for one, two, three, and six groups of delayed neutrons. Simulation studies for constant and variable reactivity insertions are made for the CBM kinetics model, and a comparison of results, with numerical solutions of classical kinetics models for one, two, three, and six groups of delayed neutrons are presented. The results show good agreements, especially for single step insertion of reactivity, with the advantage of the CBM- solution of not encountering the stiffness problem accompanying the numerical solutions of the classical kinetics model. (author)
Kinetic computer modeling of microwave surface-wave plasma production
Ganachev, Ivan P.
2004-01-01
Kinetic computer plasma modeling occupies an intermediate position between the time consuming rigorous particle dynamic simulation and the fast but rather rough cold- or warm-plasma fluid models. The present paper reviews the kinetic modeling of microwave surface-wave discharges with accent on recent kinetic self-consistent models, where the external input parameters are reduced to the necessary minimum (frequency and intensity of the applied microwave field and pressure and geometry of the discharge vessel). The presentation is limited to low pressures, so that Boltzmann equation is solved in non-local approximation and collisional electron heating is neglected. The numerical results reproduce correctly the bi-Maxwellian electron energy distribution functions observed experimentally. (author)
RETRAN-02 one-dimensional kinetics model: a review
Gose, G.C.; McClure, J.A.
1986-01-01
RETRAN-02 is a modular code system that has been designed for one-dimensional, transient thermal-hydraulics analysis. In RETRAN-02, core power behavior may be treated using a one-dimensional reactor kinetics model. This model allows the user to investigate the interaction of time- and space-dependent effects in the reactor core on overall system behavior for specific LWR operational transients. The purpose of this paper is to review the recent analysis and development activities related to the one dimensional kinetics model in RETRAN-02
Vibrational kinetics in CO electric discharge lasers - Modeling and experiments
Stanton, A. C.; Hanson, R. K.; Mitchner, M.
1980-01-01
A model of CO laser vibrational kinetics is developed, and predicted vibrational distributions are compared with measurements. The experimental distributions were obtained at various flow locations in a transverse CW discharge in supersonic (M = 3) flow. Good qualitative agreement is obtained in the comparisons, including the prediction of a total inversion at low discharge current densities. The major area of discrepancy is an observed loss in vibrational energy downstream of the discharge which is not predicted by the model. This discrepancy may be due to three-dimensional effects in the experiment which are not included in the model. Possible kinetic effects which may contribute to vibrational energy loss are also examined.
A two-point kinetic model for the PROTEUS reactor
Dam, H. van.
1995-03-01
A two-point reactor kinetic model for the PROTEUS-reactor is developed and the results are described in terms of frequency dependent reactivity transfer functions for the core and the reflector. It is shown that at higher frequencies space-dependent effects occur which imply failure of the one-point kinetic model. In the modulus of the transfer functions these effects become apparent above a radian frequency of about 100 s -1 , whereas for the phase behaviour the deviation from a point model already starts at a radian frequency of 10 s -1 . (orig.)
Modeling Kinetics of Distortion in Porous Bi-layered Structures
Tadesse Molla, Tesfaye; Frandsen, Henrik Lund; Bjørk, Rasmus
2013-01-01
because of different sintering rates of the materials resulting in undesired distortions of the component. An analytical model based on the continuum theory of sintering has been developed to describe the kinetics of densification and distortion in the sintering processes. A new approach is used...... to extract the material parameters controlling shape distortion through optimizing the model to experimental data of free shrinkage strains. The significant influence of weight of the sample (gravity) on the kinetics of distortion is taken in to consideration. The modeling predictions indicate good agreement...
Nightingale, M.P.; Blöte, H.W.J.
1996-01-01
The principle and the efficiency of the Monte Carlo transfer-matrix algorithm are discussed. Enhancements of this algorithm are illustrated by applications to several phase transitions in lattice spin models. We demonstrate how the statistical noise can be reduced considerably by a similarity
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.
Castro-Alvaredo, Olalla A; Fring, Andreas
2009-01-01
We investigate a lattice version of the Yang-Lee model which is characterized by a non-Hermitian quantum spin chain Hamiltonian. We propose a new way to implement PT-symmetry on the lattice, which serves to guarantee the reality of the spectrum in certain regions of values of the coupling constants. In that region of unbroken PT-symmetry, we construct a Dyson map, a metric operator and find the Hermitian counterpart of the Hamiltonian for small values of the number of sites, both exactly and perturbatively. Besides the standard perturbation theory about the Hermitian part of the Hamiltonian, we also carry out an expansion in the second coupling constant of the model. Our constructions turn out to be unique with the sole assumption that the Dyson map is Hermitian. Finally, we analyse the magnetization of the chain in the z- and x-direction.
A multi water bag model of drift kinetic electron plasma
Morel, P.; Dreydemy Ghiro, F.; Berionni, V.; Gurcan, O.D.; Coulette, D.; Besse, N.
2014-01-01
A Multi Water Bag model is proposed for describing drift kinetic plasmas in a magnetized cylindrical geometry, relevant for various experimental devices, solar wind modeling... The Multi Water Bag (MWB) model is adapted to the description of a plasma with kinetic electrons as well as an arbitrary number of kinetic ions. This allows to describe the kinetic dynamics of the electrons, making possible the study of electron temperature gradient (ETG) modes, in addition to the effects of non adiabatic electrons on the ion temperature gradient (ITG) modes, that are of prime importance in the magnetized plasmas micro-turbulence [X. Garbet, Y. Idomura, L. Villard, T.H. Watanabe, Nucl. Fusion 50, 043002 (2010); J.A. Krommes, Ann. Rev. Fluid Mech. 44, 175 (2012)]. The MWB model is shown to link kinetic and fluid descriptions, depending on the number of bags considered. Linear stability of the ETG modes is presented and compared to the existing results regarding cylindrical ITG modes [P. Morel, E. Gravier, N. Besse, R. Klein, A. Ghizzo, P. Bertrand, W. Garbet, Ph. Ghendrih, V. Grandgirard, Y. Sarazin, Phys. Plasmas 14, 112109 (2007)]. (authors)
Computer-Aided Construction of Chemical Kinetic Models
Green, William H. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
2014-12-31
The combustion chemistry of even simple fuels can be extremely complex, involving hundreds or thousands of kinetically significant species. The most reasonable way to deal with this complexity is to use a computer not only to numerically solve the kinetic model, but also to construct the kinetic model in the first place. Because these large models contain so many numerical parameters (e.g. rate coefficients, thermochemistry) one never has sufficient data to uniquely determine them all experimentally. Instead one must work in “predictive” mode, using theoretical rather than experimental values for many of the numbers in the model, and as appropriate refining the most sensitive numbers through experiments. Predictive chemical kinetics is exactly what is needed for computer-aided design of combustion systems based on proposed alternative fuels, particularly for early assessment of the value and viability of proposed new fuels before those fuels are commercially available. This project was aimed at making accurate predictive chemical kinetics practical; this is a challenging goal which requires a range of science advances. The project spanned a wide range from quantum chemical calculations on individual molecules and elementary-step reactions, through the development of improved rate/thermo calculation procedures, the creation of algorithms and software for constructing and solving kinetic simulations, the invention of methods for model-reduction while maintaining error control, and finally comparisons with experiment. Many of the parameters in the models were derived from quantum chemistry calculations, and the models were compared with experimental data measured in our lab or in collaboration with others.
Microcanonical simulation of Ising systems
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.)
Ab initio and kinetic modeling studies of formic acid oxidation
Marshall, Paul; Glarborg, Peter
2015-01-01
A detailed chemical kinetic model for oxidation of formic acid (HOCHO) in flames has been developed, based on theoretical work and data from literature. Ab initio calculations were used to obtain rate coefficients for reactions of HOCHO with H, O, and HO2. Modeling predictions with the mechanism...
Modeling the kinetics of volatilization from glass melts
Beerkens, R.G.C.
2001-01-01
A model description for the evaporation kinetics from glass melts in direct contact with static atmospheres or flowing gas phases is presented. The derived models and equations are based on the solution of the second Ficks' diffusion law and quasi-steady-state mass transfer relations, taking into
A mathematical model of combustion kinetics of municipal solid ...
Municipal Solid Waste has become a serious environmental problem troubling many cities. In this paper, a mathematical model of combustion kinetics of municipal solid waste with focus on plastic waste was studied. An analytical solution is obtained for the model. From the numerical simulation, it is observed that the ...
Simplified kinetic models of methanol oxidation on silver
Andreasen, A.; Lynggaard, H.; Stegelmann, C.
2005-01-01
Recently the authors developed a microkinetic model of methanol oxidation on silver [A. Andreasen, H. Lynggaard, C. Stegelmann, P. Stoltze, Surf. Sci. 544 (2003) 5-23]. The model successfully explains both surface science experiments and kinetic experiments at industrial conditions applying...
Kinetic modelling for zinc (II) ions biosorption onto Luffa cylindrica
Oboh, I.; Aluyor, E.; Audu, T.
2015-01-01
The biosorption of Zinc (II) ions onto a biomaterial - Luffa cylindrica has been studied. This biomaterial was characterized by elemental analysis, surface area, pore size distribution, scanning electron microscopy, and the biomaterial before and after sorption, was characterized by Fourier Transform Infra Red (FTIR) spectrometer. The kinetic nonlinear models fitted were Pseudo-first order, Pseudo-second order and Intra-particle diffusion. A comparison of non-linear regression method in selecting the kinetic model was made. Four error functions, namely coefficient of determination (R 2 ), hybrid fractional error function (HYBRID), average relative error (ARE), and sum of the errors squared (ERRSQ), were used to predict the parameters of the kinetic models. The strength of this study is that a biomaterial with wide distribution particularly in the tropical world and which occurs as waste material could be put into effective utilization as a biosorbent to address a crucial environmental problem
Sum rule limitations of kinetic particle-production models
Knoll, J.; CEA Centre d'Etudes Nucleaires de Grenoble, 38; Guet, C.
1988-04-01
Photoproduction and absorption sum rules generalized to systems at finite temperature provide a stringent check on the validity of kinetic models for the production of hard photons in intermediate energy nuclear collisions. We inspect such models for the case of nuclear matter at finite temperature employed in a kinetic regime which copes those encountered in energetic nuclear collisions, and find photon production rates which significantly exceed the limits imposed by the sum rule even under favourable concession. This suggests that coherence effects are quite important and the production of photons cannot be considered as an incoherent addition of individual NNγ production processes. The deficiencies of present kinetic models may also apply for the production of probes such as the pion which do not couple perturbatively to the nuclear currents. (orig.)
A kinetic approach to magnetospheric modeling
Whipple, E.C. Jr.
1979-01-01
The earth's magnetosphere is caused by the interaction between the flowing solar wind and the earth's magnetic dipole, with the distorted magnetic field in the outer parts of the magnetosphere due to the current systems resulting from this interaction. It is surprising that even the conceptually simple problem of the collisionless interaction of a flowing plasma with a dipole magnetic field has not been solved. A kinetic approach is essential if one is to take into account the dispersion of particles with different energies and pitch angles and the fact that particles on different trajectories have different histories and may come from different sources. Solving the interaction problem involves finding the various types of possible trajectories, populating them with particles appropriately, and then treating the electric and magnetic fields self-consistently with the resulting particle densities and currents. This approach is illustrated by formulating a procedure for solving the collisionless interaction problem on open field lines in the case of a slowly flowing magnetized plasma interacting with a magnetic dipole
A kinetic approach to magnetospheric modeling
Whipple, E. C., Jr.
1979-01-01
The earth's magnetosphere is caused by the interaction between the flowing solar wind and the earth's magnetic dipole, with the distorted magnetic field in the outer parts of the magnetosphere due to the current systems resulting from this interaction. It is surprising that even the conceptually simple problem of the collisionless interaction of a flowing plasma with a dipole magnetic field has not been solved. A kinetic approach is essential if one is to take into account the dispersion of particles with different energies and pitch angles and the fact that particles on different trajectories have different histories and may come from different sources. Solving the interaction problem involves finding the various types of possible trajectories, populating them with particles appropriately, and then treating the electric and magnetic fields self-consistently with the resulting particle densities and currents. This approach is illustrated by formulating a procedure for solving the collisionless interaction problem on open field lines in the case of a slowly flowing magnetized plasma interacting with a magnetic dipole.
Kinetic models for irreversible processes on a lattice
Wolf, N.O.
1979-04-01
The development and application of kinetic lattice models are considered. For the most part, the discussions are restricted to lattices in one-dimension. In Chapter 1, a brief overview of kinetic lattice model formalisms and an extensive literature survey are presented. A review of the kinetic models for non-cooperative lattice events is presented in Chapter 2. The development of cooperative lattice models and solution of the resulting kinetic equations for an infinite and a semi-infinite lattice are thoroughly discussed in Chapters 3 and 4. The cooperative models are then applied to the problem of theoretically dtermining the sticking coefficient for molecular chemisorption in Chapter 5. In Chapter 6, other possible applications of these models and several model generalizations are considered. Finally, in Chapter 7, an experimental study directed toward elucidating the mechanistic factors influencing the chemisorption of methane on single crystal tungsten is reported. In this it differs from the rest of the thesis which deals with the statistical distributions resulting from a given mechanism
Kinetic models for irreversible processes on a lattice
Wolf, N.O.
1979-04-01
The development and application of kinetic lattice models are considered. For the most part, the discussions are restricted to lattices in one-dimension. In Chapter 1, a brief overview of kinetic lattice model formalisms and an extensive literature survey are presented. A review of the kinetic models for non-cooperative lattice events is presented in Chapter 2. The development of cooperative lattice models and solution of the resulting kinetic equations for an infinite and a semi-infinite lattice are thoroughly discussed in Chapters 3 and 4. The cooperative models are then applied to the problem of theoretically dtermining the sticking coefficient for molecular chemisorption in Chapter 5. In Chapter 6, other possible applications of these models and several model generalizations are considered. Finally, in Chapter 7, an experimental study directed toward elucidating the mechanistic factors influencing the chemisorption of methane on single crystal tungsten is reported. In this it differs from the rest of the thesis which deals with the statistical distributions resulting from a given mechanism.
Inverse Ising Inference Using All the Data
Aurell, Erik; Ekeberg, Magnus
2012-03-01
We show that a method based on logistic regression, using all the data, solves the inverse Ising problem far better than mean-field calculations relying only on sample pairwise correlation functions, while still computationally feasible for hundreds of nodes. The largest improvement in reconstruction occurs for strong interactions. Using two examples, a diluted Sherrington-Kirkpatrick model and a two-dimensional lattice, we also show that interaction topologies can be recovered from few samples with good accuracy and that the use of l1 regularization is beneficial in this process, pushing inference abilities further into low-temperature regimes.
Quenched random-bond ising ferromagnet
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
Entrepreneurial Leapfrogging in the Context of ISE
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...
Transperitoneal transport of creatinine. A comparison of kinetic models
Fugleberg, S; Graff, J; Joffe, P
1994-01-01
Six kinetic models of transperitoneal creatinine transport were formulated and validated on the basis of experimental results obtained from 23 non-diabetic patients undergoing peritoneal dialysis. The models were designed to elucidate the presence or absence of diffusive, non-lymphatic convective...... including all three forms of transport is superior to other models. We conclude that the best model of transperitoneal creatinine transport includes diffusion, non-lymphatic convective transport and lymphatic convective transport....
Computer models for kinetic equations of magnetically confined plasmas
Killeen, J.; Kerbel, G.D.; McCoy, M.G.; Mirin, A.A.; Horowitz, E.J.; Shumaker, D.E.
1987-01-01
This paper presents four working computer models developed by the computational physics group of the National Magnetic Fusion Energy Computer Center. All of the models employ a kinetic description of plasma species. Three of the models are collisional, i.e., they include the solution of the Fokker-Planck equation in velocity space. The fourth model is collisionless and treats the plasma ions by a fully three-dimensional particle-in-cell method
Magnetic properties and thermodynamics of decorated Ising chain with pendants of arbitrary spin
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
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.
Gyrofluid Modeling of Turbulent, Kinetic Physics
Despain, Kate Marie
2011-12-01
Gyrofluid models to describe plasma turbulence combine the advantages of fluid models, such as lower dimensionality and well-developed intuition, with those of gyrokinetics models, such as finite Larmor radius (FLR) effects. This allows gyrofluid models to be more tractable computationally while still capturing much of the physics related to the FLR of the particles. We present a gyrofluid model derived to capture the behavior of slow solar wind turbulence and describe the computer code developed to implement the model. In addition, we describe the modifications we made to a gyrofluid model and code that simulate plasma turbulence in tokamak geometries. Specifically, we describe a nonlinear phase mixing phenomenon, part of the E x B term, that was previously missing from the model. An inherently FLR effect, it plays an important role in predicting turbulent heat flux and diffusivity levels for the plasma. We demonstrate this importance by comparing results from the updated code to studies done previously by gyrofluid and gyrokinetic codes. We further explain what would be necessary to couple the updated gyrofluid code, gryffin, to a turbulent transport code, thus allowing gryffin to play a role in predicting profiles for fusion devices such as ITER and to explore novel fusion configurations. Such a coupling would require the use of Graphical Processing Units (GPUs) to make the modeling process fast enough to be viable. Consequently, we also describe our experience with GPU computing and demonstrate that we are poised to complete a gryffin port to this innovative architecture.
Kinetic k-essence ghost dark energy model
Rozas-Fernández, Alberto
2012-01-01
A ghost dark energy model has been recently put forward to explain the current accelerated expansion of the Universe. In this model, the energy density of ghost dark energy, which comes from the Veneziano ghost of QCD, is proportional to the Hubble parameter, ρ D =αH. Here α is a constant of order Λ QCD 3 where Λ QCD ∼100 MeV is the QCD mass scale. We consider a connection between ghost dark energy with/without interaction between the components of the dark sector and the kinetic k-essence field. It is shown that the cosmological evolution of the ghost dark energy dominated Universe can be completely described a kinetic k-essence scalar field. We reconstruct the kinetic k-essence function F(X) in a flat Friedmann-Robertson-Walker Universe according to the evolution of ghost dark energy density.
Bayesian inference of chemical kinetic models from proposed reactions
Galagali, Nikhil
2015-02-01
© 2014 Elsevier Ltd. Bayesian inference provides a natural framework for combining experimental data with prior knowledge to develop chemical kinetic models and quantify the associated uncertainties, not only in parameter values but also in model structure. Most existing applications of Bayesian model selection methods to chemical kinetics have been limited to comparisons among a small set of models, however. The significant computational cost of evaluating posterior model probabilities renders traditional Bayesian methods infeasible when the model space becomes large. We present a new framework for tractable Bayesian model inference and uncertainty quantification using a large number of systematically generated model hypotheses. The approach involves imposing point-mass mixture priors over rate constants and exploring the resulting posterior distribution using an adaptive Markov chain Monte Carlo method. The posterior samples are used to identify plausible models, to quantify rate constant uncertainties, and to extract key diagnostic information about model structure-such as the reactions and operating pathways most strongly supported by the data. We provide numerical demonstrations of the proposed framework by inferring kinetic models for catalytic steam and dry reforming of methane using available experimental data.
Continuum-Kinetic Models and Numerical Methods for Multiphase Applications
Nault, Isaac Michael
This thesis presents a continuum-kinetic approach for modeling general problems in multiphase solid mechanics. In this context, a continuum model refers to any model, typically on the macro-scale, in which continuous state variables are used to capture the most important physics: conservation of mass, momentum, and energy. A kinetic model refers to any model, typically on the meso-scale, which captures the statistical motion and evolution of microscopic entitites. Multiphase phenomena usually involve non-negligible micro or meso-scopic effects at the interfaces between phases. The approach developed in the thesis attempts to combine the computational performance benefits of a continuum model with the physical accuracy of a kinetic model when applied to a multiphase problem. The approach is applied to modeling a single particle impact in Cold Spray, an engineering process that intimately involves the interaction of crystal grains with high-magnitude elastic waves. Such a situation could be classified a multiphase application due to the discrete nature of grains on the spatial scale of the problem. For this application, a hyper elasto-plastic model is solved by a finite volume method with approximate Riemann solver. The results of this model are compared for two types of plastic closure: a phenomenological macro-scale constitutive law, and a physics-based meso-scale Crystal Plasticity model.
Modeling uptake kinetics of cadmium by field-grown lettuce
Chen Weiping [Department of Environmental Sciences, University of California, 900 University Avenue, Riverside, CA 92521 (United States)], E-mail: chenweip@yahoo.com.cn; Li Lianqing [Institute of Resources, Ecosystem and Environment of Agriculture, Nanjing Agricultural University, Nanjing 210095 (China); Chang, Andrew C.; Wu Laosheng [Department of Environmental Sciences, University of California, 900 University Avenue, Riverside, CA 92521 (United States); Kwon, Soon-Ik [Agricultural Environmental and Ecology Division, National Institute of Agricultural Science and Technology, Suwon 441-707 (Korea, Republic of); Bottoms, Rick [Desert Research and Extension Center, 1004 East Holton Road, El Centro, CA 92243 (United States)
2008-03-15
Cadmium uptake by field grown Romaine lettuce treated with P-fertilizers of different Cd levels was investigated over an entire growing season. Results indicated that the rate of Cd uptake at a given time of the season can be satisfactorily described by the Michaelis-Menten kinetics, that is, plant uptake increases as the Cd concentration in soil solution increases, and it gradually approaches a saturation level. However, the rate constant of the Michaelis-Menten kinetics changes over the growing season. Under a given soil Cd level, the cadmium content in plant tissue decreases exponentially with time. To account for the dynamic nature of Cd uptake, a kinetic model integrating the time factor was developed to simulate Cd plant uptake over the growing season: C{sub Plant} = C{sub Solution} . PUF{sub max} . exp[-b . t], where C{sub Plant} and C{sub Solution} refer to the Cd content in plant tissue and soil solution, respectively, PUF{sub max} and b are kinetic constants. - A kinetic model was developed to evaluate the uptake of Cd under field conditions.
Modeling uptake kinetics of cadmium by field-grown lettuce
Chen Weiping; Li Lianqing; Chang, Andrew C.; Wu Laosheng; Kwon, Soon-Ik; Bottoms, Rick
2008-01-01
Cadmium uptake by field grown Romaine lettuce treated with P-fertilizers of different Cd levels was investigated over an entire growing season. Results indicated that the rate of Cd uptake at a given time of the season can be satisfactorily described by the Michaelis-Menten kinetics, that is, plant uptake increases as the Cd concentration in soil solution increases, and it gradually approaches a saturation level. However, the rate constant of the Michaelis-Menten kinetics changes over the growing season. Under a given soil Cd level, the cadmium content in plant tissue decreases exponentially with time. To account for the dynamic nature of Cd uptake, a kinetic model integrating the time factor was developed to simulate Cd plant uptake over the growing season: C Plant = C Solution . PUF max . exp[-b . t], where C Plant and C Solution refer to the Cd content in plant tissue and soil solution, respectively, PUF max and b are kinetic constants. - A kinetic model was developed to evaluate the uptake of Cd under field conditions
Experimental and modeling investigation on structure H hydrate formation kinetics
Mazraeno, M. Seyfi; Varaminian, F.; Vafaie sefti, M.
2013-01-01
Highlights: • Applying affinity model for the formation kinetics of sH hydrate and two stage kinetics. • Performing the experiments of hydrate formation of sH with MCP. • A unique path for the SH hydrate formation. - Abstract: In this work, the kinetics of crystal H hydrate and two stage kinetics formation is modeled by using the chemical affinity model for the first time. The basic idea is that there is a unique path for each experiment by which the crystallization process decays the affinity. The experiments were performed at constant temperatures of 274.15, 275.15, 275.65, 276.15 and 277.15 K. The initial pressure of each experiment is up to 25 bar above equilibrium pressure of sI. Methylcyclohexane (MCH), methylcyclopentane (MCP) and tert-butyl methyl ether (TBME) are used as sH former and methane is used as a help gas. The parameters of the affinity model (A r and t k ) are determined and the results show that the parameter of (A r )/(RT) has not a constant value when temperature changes in each group of experiments. The results indicate that this model can predict experimental data very well at several conditions
Kinetics of steel slag leaching: Batch tests and modeling
De Windt, Laurent; Chaurand, Perrine; Rose, Jerome
2011-01-01
Reusing steel slag as an aggregate for road construction requires to characterize the leaching kinetics and metal releases. In this study, basic oxygen furnace (BOF) steel slag were subjected to batch leaching tests at liquid to solid ratios (L/S) of 10 and 100 over 30 days; the leachate chemistry being regularly sampled in time. A geochemical model of the steel slag is developed and validated from experimental data, particularly the evolution with leaching of mineralogical composition of the slag and trace element speciation. Kinetics is necessary for modeling the primary phase leaching, whereas a simple thermodynamic equilibrium approach can be used for secondary phase precipitation. The proposed model simulates the kinetically-controlled dissolution (hydrolysis) of primary phases, the precipitation of secondary phases (C-S-H, hydroxide and spinel), the pH and redox conditions, and the progressive release of major elements as well as the metals Cr and V. Modeling indicates that the dilution effect of the L/S ratio is often coupled to solubility-controlled processes, which are sensitive to both the pH and the redox potential. A sensitivity analysis of kinetic uncertainties on the modeling of element releases is performed.
Modeling intrinsic kinetics in immobilized photocatalytic microreactors
Visan, Aura; Rafieian Boroujeni, Damon; Ogieglo, Wojciech; Lammertink, Rob G.H.
2014-01-01
The article presents a simple model for immobilized photocatalytic microreactors following a first order reaction rate with either light independency or light dependency described by photon absorption carrier generation semiconductor physics. Experimental data obtained for various residence times,
Kinetic and thermodynamic modelling of TBP synthesis processes
Azzouz, A.; Attou, M.
1989-02-01
The present paper deals with kinetic and thermodynamic modellisation of tributylphosphate (TBP) synthesis processes. Its aim consists in a purely comparative study of two different synthesis ways i.e. direct and indirect estirification of butanol. The methodology involves two steps. The first step consists in approximating curves which describe the process evolution and their dependence on the main parameters. The results gave a kinetic model of the process rate yielding in TBP. Further, on the basis of thermodynamic data concerning the various involved compounds a theoretical model was achieved. The calculations were carried out in Basic language and an interpolation mathematical method was applied to approximate the kinetic curves. The thermodynamic calculations were achieved on the basis of GIBBS' free energy using a VAX type computer and a VT240 terminal. The calculations accuracy was reasonable and within the norms. For each process, the confrontation of both models leads to an appreciable accord. In the two processes, the thermodynamic models were similar although the kinetic equations present different reaction orders. Hence the reaction orders were determined by a mathematical method which conists in searching the minimal difference between an empiric relation and a kinetic model with fixed order. This corresponds in fact in testing the model proposed at various reaction order around the suspected value. The main idea which results from such a work is that this kind of processes is well fitting with the model without taking into account the side chain reactions. The process behaviour is like that of a single reaction having a quasi linear dependence of the rate yielding and the reaction time for both processes
Hoyermann, Karlheinz; Mauß, Fabian; Olzmann, Matthias; Welz, Oliver; Zeuch, Thomas
2017-07-19
Partially oxidized intermediates play a central role in combustion and atmospheric chemistry. In this perspective, we focus on the chemical kinetics of alkoxy radicals, peroxy radicals, and Criegee intermediates, which are key species in both combustion and atmospheric environments. These reactive intermediates feature a broad spectrum of chemical diversity. Their reactivity is central to our understanding of how volatile organic compounds are degraded in the atmosphere and converted into secondary organic aerosol. Moreover, they sensitively determine ignition timing in internal combustion engines. The intention of this perspective article is to provide the reader with information about the general mechanisms of reactions initiated by addition of atomic and molecular oxygen to alkyl radicals and ozone to alkenes. We will focus on critical branching points in the subsequent reaction mechanisms and discuss them from a consistent point of view. As a first example of our integrated approach, we will show how experiment, theory, and kinetic modeling have been successfully combined in the first infrared detection of Criegee intermediates during the gas phase ozonolysis. As a second example, we will examine the ignition timing of n-heptane/air mixtures at low and intermediate temperatures. Here, we present a reduced, fuel size independent kinetic model of the complex chemistry initiated by peroxy radicals that has been successfully applied to simulate standard n-heptane combustion experiments.
Inverse Ising inference with correlated samples
Obermayer, Benedikt; Levine, Erel
2014-01-01
Correlations between two variables of a high-dimensional system can be indicative of an underlying interaction, but can also result from indirect effects. Inverse Ising inference is a method to distinguish one from the other. Essentially, the parameters of the least constrained statistical model are learned from the observed correlations such that direct interactions can be separated from indirect correlations. Among many other applications, this approach has been helpful for protein structure prediction, because residues which interact in the 3D structure often show correlated substitutions in a multiple sequence alignment. In this context, samples used for inference are not independent but share an evolutionary history on a phylogenetic tree. Here, we discuss the effects of correlations between samples on global inference. Such correlations could arise due to phylogeny but also via other slow dynamical processes. We present a simple analytical model to address the resulting inference biases, and develop an exact method accounting for background correlations in alignment data by combining phylogenetic modeling with an adaptive cluster expansion algorithm. We find that popular reweighting schemes are only marginally effective at removing phylogenetic bias, suggest a rescaling strategy that yields better results, and provide evidence that our conclusions carry over to the frequently used mean-field approach to the inverse Ising problem. (paper)
A coherent Ising machine for 2000-node optimization problems
Inagaki, Takahiro; Haribara, Yoshitaka; Igarashi, Koji; Sonobe, Tomohiro; Tamate, Shuhei; Honjo, Toshimori; Marandi, Alireza; McMahon, Peter L.; Umeki, Takeshi; Enbutsu, Koji; Tadanaga, Osamu; Takenouchi, Hirokazu; Aihara, Kazuyuki; Kawarabayashi, Ken-ichi; Inoue, Kyo; Utsunomiya, Shoko; Takesue, Hiroki
2016-11-01
The analysis and optimization of complex systems can be reduced to mathematical problems collectively known as combinatorial optimization. Many such problems can be mapped onto ground-state search problems of the Ising model, and various artificial spin systems are now emerging as promising approaches. However, physical Ising machines have suffered from limited numbers of spin-spin couplings because of implementations based on localized spins, resulting in severe scalability problems. We report a 2000-spin network with all-to-all spin-spin couplings. Using a measurement and feedback scheme, we coupled time-multiplexed degenerate optical parametric oscillators to implement maximum cut problems on arbitrary graph topologies with up to 2000 nodes. Our coherent Ising machine outperformed simulated annealing in terms of accuracy and computation time for a 2000-node complete graph.
Hyperscaling in the Ising model
Baker, G.A. Jr.
1976-01-01
The high temperature series expansions relevant to the hyperscaling relation Δ = 1 / 2 (dν + γ) are extended and reexamined. Hyperscaling is found to hold in 2 dimensions as expected, but fails in 3 and 4 dimensions. The triviality of hyperstrong-coupling, Euclidean, Boson, phi 4 field theory follows
Kinetic modelling and thermodynamic studies on purification of ...
Adsorbent capacities have been determined by mathematical fitting of equilibrium data using the most common isotherms: Freundlich isotherm and Langmuir isotherm. Several kinetic models have been applied to the process. Thermodynamic parameters: △So, △Ho, △Go and Ea (kJ/mol) have been determined.
Development of simple kinetic models and parameter estimation for ...
In order to describe and predict the growth and expression of recombinant proteins by using a genetically modified Pichia pastoris, we developed a number of unstructured models based on growth kinetic equation, fed-batch mass balance and the assumptions of constant cell and protein yields. The growth of P. pastoris on ...
Modelling of thermal degradation kinetics of ascorbic acid in ...
Ascorbic acid (vitamin C) loss in thermally treated pawpaw and potato was modelled mathematically. Isothermal experiments in the temperature range of 50 -80 oC for the drying of pawpaw and 60 -100 oC for the blanch-drying of potato were utilized to determine the kinetics of ascorbic acid loss in both fruit and vegetable.
Saa, Pedro A.; Nielsen, Lars K.
2017-01-01
Kinetic models are critical to predict the dynamic behaviour of metabolic networks. Mechanistic kinetic models for large networks remain uncommon due to the difficulty of fitting their parameters. Recent modelling frameworks promise new ways to overcome this obstacle while retaining predictive ca...
Chemical kinetics and combustion modelling with CFX 4
Stopford, P [AEA Technology, Computational Fluid Dynamics Services Harwell, Oxfordshire (United Kingdom)
1998-12-31
The presentation describes some recent developments in combustion and kinetics models used in the CFX software of AEA Technology. Three topics are highlighted: the development of coupled solvers in a traditional `SIMPLE`-based CFD code, the use of detailed chemical kinetics mechanism via `look-up` tables and the application of CFD to large-scale multi-burner combustion plant. The aim is identify those physical approximations and numerical methods that are likely to be most useful in the future and those areas where further developments are required. (author) 6 refs.
Chemical kinetics and combustion modelling with CFX 4
Stopford, P. [AEA Technology, Computational Fluid Dynamics Services Harwell, Oxfordshire (United Kingdom)
1997-12-31
The presentation describes some recent developments in combustion and kinetics models used in the CFX software of AEA Technology. Three topics are highlighted: the development of coupled solvers in a traditional `SIMPLE`-based CFD code, the use of detailed chemical kinetics mechanism via `look-up` tables and the application of CFD to large-scale multi-burner combustion plant. The aim is identify those physical approximations and numerical methods that are likely to be most useful in the future and those areas where further developments are required. (author) 6 refs.
A flexible multipurpose model for normal and transient cell kinetics
Toivonen, Harri.
1979-07-01
The internal hypothetical compartments within the different phases of the cell cycle have been adopted as the basis of models dealing with various specific problems in cell kinetics. This approach was found to be of more general validity, extending from expanding cell populations to complex maturation processes. The differential equations describing the system were solved with an effective, commercially available library subroutine. Special attention was devoted to analysis of transient and feedback kinetics of cell populations encountered in diverse environmental and exposure conditions, for instance in cases of wounding and radiation damage. (author)
Effective-field renormalization-group method for Ising systems
Fittipaldi, I. P.; De Albuquerque, D. F.
1992-02-01
A new applicable effective-field renormalization-group (ERFG) scheme for computing critical properties of Ising spins systems is proposed and used to study the phase diagrams of a quenched bond-mixed spin Ising model on square and Kagomé lattices. The present EFRG approach yields results which improves substantially on those obtained from standard mean-field renormalization-group (MFRG) method. In particular, it is shown that the EFRG scheme correctly distinguishes the geometry of the lattice structure even when working with the smallest possible clusters, namely N'=1 and N=2.
Kinetics and modeling of anaerobic digestion process
Gavala, Hariklia N.; Angelidaki, Irini; Ahring, Birgitte Kiær
2003-01-01
Anaerobic digestion modeling started in the early 1970s when the need for design and efficient operation of anaerobic systems became evident. At that time not only was the knowledge about the complex process of anaerobic digestion inadequate but also there were computational limitations. Thus...
Laplace transform in tracer kinetic modeling
Hauser, Eliete B., E-mail: eliete@pucrs.br [Instituto do Cerebro (InsCer/FAMAT/PUC-RS), Porto Alegre, RS, (Brazil). Faculdade de Matematica
2013-07-01
The main objective this paper is to quantify the pharmacokinetic processes: absorption, distribution and elimination of radiopharmaceutical(tracer), using Laplace transform method. When the drug is administered intravenously absorption is complete and is available in the bloodstream to be distributed throughout the whole body in all tissues and fluids, and to be eliminated. Mathematical modeling seeks to describe the processes of distribution and elimination through compartments, where distinct pools of tracer (spatial location or chemical state) are assigned to different compartments. A compartment model is described by a system of differential equations, where each equation represents the sum of all the transfer rates to and from a specific compartment. In this work a two-tissue irreversible compartment model is used for description of tracer, [{sup 18}F]2-fluor-2deoxy-D-glucose. In order to determine the parameters of the model, it is necessary to have information about the tracer delivery in the form of an input function representing the time-course of tracer concentration in arterial blood or plasma. We estimate the arterial input function in two stages and apply the Levenberg-Marquardt Method to solve nonlinear regressions. The transport of FDG across de arterial blood is very fast in the first ten minutes and then decreases slowly. We use de Heaviside function to represent this situation and this is the main contribution of this study. We apply the Laplace transform and the analytical solution for two-tissue irreversible compartment model is obtained. The only approach is to determinate de arterial input function. (author)
Ensemble Kinetic Modeling of Metabolic Networks from Dynamic Metabolic Profiles
Gengjie Jia
2012-11-01
Full Text Available Kinetic modeling of metabolic pathways has important applications in metabolic engineering, but significant challenges still remain. The difficulties faced vary from finding best-fit parameters in a highly multidimensional search space to incomplete parameter identifiability. To meet some of these challenges, an ensemble modeling method is developed for characterizing a subset of kinetic parameters that give statistically equivalent goodness-of-fit to time series concentration data. The method is based on the incremental identification approach, where the parameter estimation is done in a step-wise manner. Numerical efficacy is achieved by reducing the dimensionality of parameter space and using efficient random parameter exploration algorithms. The shift toward using model ensembles, instead of the traditional “best-fit” models, is necessary to directly account for model uncertainty during the application of such models. The performance of the ensemble modeling approach has been demonstrated in the modeling of a generic branched pathway and the trehalose pathway in Saccharomyces cerevisiae using generalized mass action (GMA kinetics.
Gyrofluid turbulence models with kinetic effects
Dorland, W.; Hammett, G.W.
1992-12-01
Nonlinear gyrofluid equations are derived by taking moments of the nonlinear, electrostatic gyrokinetic equation. The principal model presented includes evolution equations for the guiding center n, u parallel, T parallel, and T perpendicular along with an equation expressing the quasineutrality constraint. Additional evolution equations for higher moments are derived which may be used if greater accuracy is desired. The moment hierarchy is closed with a Landau-damping model which is equivalent to a multi-pole approximation to the plasma dispersion function, extended to include finite Larmor radius effects. In particular, new dissipative, nonlinear terms are found which model the perpendicular phase-mixing of the distribution function along contours of constant electrostatic potential. These ''FLR phase-mixing'' terms introduce a hyperviscosity-like damping ∝ k perpendicular 2 |Φ rvec k rvec k x rvec k'| which should provide a physics-based damping mechanism at high k perpendicular ρ which is potentially as important as the usual polarization drift nonlinearity. The moments are taken in guiding center space to pick up the correct nonlinear FLR terms and the gyroaveraging of the shear. The equations are solved with a nonlinear, three dimensional initial value code. Linear results are presented, showing excellent agreement with linear gyrokinetic theory
Relaxation theory of spin-3/2 Ising system near phase transition temperatures
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)
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,...
A Kinetic Model Describing Injury-Burden in Team Sports.
Fuller, Colin W
2017-12-01
Injuries in team sports are normally characterised by the incidence, severity, and location and type of injuries sustained: these measures, however, do not provide an insight into the variable injury-burden experienced during a season. Injury burden varies according to the team's match and training loads, the rate at which injuries are sustained and the time taken for these injuries to resolve. At the present time, this time-based variation of injury burden has not been modelled. To develop a kinetic model describing the time-based injury burden experienced by teams in elite team sports and to demonstrate the model's utility. Rates of injury were quantified using a large eight-season database of rugby injuries (5253) and exposure (60,085 player-match-hours) in English professional rugby. Rates of recovery from injury were quantified using time-to-recovery analysis of the injuries. The kinetic model proposed for predicting a team's time-based injury burden is based on a composite rate equation developed from the incidence of injury, a first-order rate of recovery from injury and the team's playing load. The utility of the model was demonstrated by examining common scenarios encountered in elite rugby. The kinetic model developed describes and predicts the variable injury-burden arising from match play during a season of rugby union based on the incidence of match injuries, the rate of recovery from injury and the playing load. The model is equally applicable to other team sports and other scenarios.
Developments in kinetic modelling of chalcocite particle oxidation
Jaervi, J; Ahokainen, T; Jokilaakso, A [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Materials Processing and Powder Metallurgy
1998-12-31
A mathematical model for simulating chalcocite particle oxidation is presented. Combustion of pure chalcocite with oxygen is coded as a kinetic module which can be connected as a separate part of commercial CFD-package, PHOENICS. Heat transfer, fluid flow and combustion phenomena can be simulated using CFD-calculation together with the kinetic model. Interaction between gas phase and particles are taken into account by source terms. The aim of the kinetic model is to calculate the particle temperature, contents of species inside the particle, oxygen consumption and formation of sulphur dioxide. Four oxidation reactions are considered and the shrinking core model is used to describe the rate of the oxidation reactions. The model is verified by simulating the particle oxidation reactions in a laboratory scale laminar-flow furnace under different conditions and the model predicts the effects of charges correctly. In the future, the model validation will be done after experimental studies in the laminar flow-furnace. (author) 18 refs.
Developments in kinetic modelling of chalcocite particle oxidation
Jaervi, J.; Ahokainen, T.; Jokilaakso, A. [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Materials Processing and Powder Metallurgy
1997-12-31
A mathematical model for simulating chalcocite particle oxidation is presented. Combustion of pure chalcocite with oxygen is coded as a kinetic module which can be connected as a separate part of commercial CFD-package, PHOENICS. Heat transfer, fluid flow and combustion phenomena can be simulated using CFD-calculation together with the kinetic model. Interaction between gas phase and particles are taken into account by source terms. The aim of the kinetic model is to calculate the particle temperature, contents of species inside the particle, oxygen consumption and formation of sulphur dioxide. Four oxidation reactions are considered and the shrinking core model is used to describe the rate of the oxidation reactions. The model is verified by simulating the particle oxidation reactions in a laboratory scale laminar-flow furnace under different conditions and the model predicts the effects of charges correctly. In the future, the model validation will be done after experimental studies in the laminar flow-furnace. (author) 18 refs.
One-dimensional reactor kinetics model for RETRAN
Gose, G.C.; Peterson, C.E.; Ellis, N.L.; McClure, J.A.
1981-01-01
Previous versions of RETRAN have had only a point kinetics model to describe the reactor core behavior during thermal-hydraulic transients. The principal assumption in deriving the point kinetics model is that the neutron flux may be separated into a time-dependent amplitude funtion and a time-independent shape function. Certain types of transients cannot be correctly analyzed under this assumption, since proper definitions for core average quantities such as reactivity or lifetime include the inner product of the adjoint flux with the perturbed flux. A one-dimensional neutronics model has been included in a preliminary version of RETRAN-02. The ability to account for flux shape changes will permit an improved representation of the thermal and hydraulic feedback effects. This paper describes the neutronics model and discusses some of the analyses
Pengembangan Indentation Size Effect (ISE Dalam Penentuan Koefisien Pengerasan Regang Baja
I Nyoman Budiarsa
2016-07-01
Full Text Available Abstrak: Hubungan antara sifat material konstitutif dengan indentasi kekerasan (Hardness Indentation termasuk ISE (Indentation Size Effect telah dikembangkan dan dievaluasi dengan indentasi Vickers, hal Ini akan menjadi alat yang berguna dalam mengevaluasi kelayakan penggunaan nilai kekerasan dalam memprediksi parameter bahan konstitutif dengan mengacu pada syarat akurasi pada rentang semua potensi bahan. ISE dapat konsisten diukur dan dapat berpotensi dihubungkan dengan H/E rasio. Skala ISE dari sampel yang diuji menunjukkan pengulangan yang konsisten dan berhubungan kuat dengan sifat material secara signifikan. Hal Ini berpotensi memberikan set data eksperimen yang mencerminkan sifat material yang terkait dengan ketegangan gradien dan kerapatan dislokasi selama proses indentasi Konsep untuk menggunakan data ukuran indentasi Vickers telah dikembangkan untuk meningkatkan akurasi sifat invers pemodelan berdasarkan kekerasan menggunakan baja sebagai sistem bahan. Penelitian ini menunjukkan bahwa ada ISE signifikan dalam tes kekerasan Vickers dimana skala dan reliabilitas ISE dianalisis dengan fitting data mengikuti Power law and proportional resistance model Sebuah konsep baru menggunakan data ISE untuk memperkirakan Koefisien Pengerasan Regang (n nilai-nilai dari baja telah dievaluasi dan menunjukkan hasil yang baik untuk mempersempit kisaran sifat material yang diprediksi berdasarkan nilai-nilai kekerasan. . Kata kunci: ISE, H/E rasio, Koefisien Pengerasan Regang (n Abstract: The relationship between the constitutive material properties with Hardness indentation including ISE (indentation Size Effect has been developed and evaluated by Vickers indentation. This provided a useful tool in evaluating the feasibility of using of hardness value in predicting the constitutive material parameters with reference to the terms of accuracy in the all the potential materials range. ISE can be consistently measured and may potentially be associated with H
Kinetic modeling of Nernst effect in magnetized hohlraums
Joglekar, A. S.; Ridgers, Christopher Paul; Kingham, R J; Thomas, A. G. R.
2016-01-01
We present nanosecond time-scale Vlasov-Fokker-Planck-Maxwell modeling of magnetized plasma transport and dynamics in a hohlraum with an applied external magnetic field, under conditions similar to recent experiments. Self-consistent modeling of the kinetic electron momentum equation allows for a complete treatment of the heat flow equation and Ohm's law, including Nernst advection of magnetic fields. In addition to showing the prevalence of nonlocal behavior, we demonstrate that effects such...
A kinetic-MHD model for low frequency phenomena
Cheng, C.Z.
1991-07-01
A hybrid kinetic-MHD model for describing low-frequency phenomena in high beta anisotropic plasmas that consist of two components: a low energy core component and an energetic component with low density. The kinetic-MHD model treats the low energy core component by magnetohydrodynamic (MHD) description, the energetic component by kinetic approach such as the gyrokinetic equation, and the coupling between the dynamics of these two components through plasma pressure in the momentum equation. The kinetic-MHD model optimizes both the physics contents and the theoretical efforts in studying low frequency MHD waves and transport phenomena in general magnetic field geometries, and can be easily modified to include the core plasma kinetic effects if necessary. It is applicable to any magnetized collisionless plasma system where the parallel electric field effects are negligibly small. In the linearized limit two coupled eigenmode equations for describing the coupling between the transverse Alfven type and the compressional Alfven type waves are derived. The eigenmode equations are identical to those derived from the full gyrokinetic equation in the low frequency limit and were previously analyzed both analytically nd numerically to obtain the eigenmode structure of the drift mirror instability which explains successfully the multi-satellite observation of antisymmetric field-aligned structure of the compressional magnetic field of Pc 5 waves in the magnetospheric ring current plasma. Finally, a quadratic form is derived to demonstrate the stability of the low-frequency transverse and compressional Alfven type instabilities in terms of the pressure anisotropy parameter τ and the magnetic field curvature-pressure gradient parameter. A procedure for determining the stability of a marginally stable MHD wave due to wave-particle resonances is also presented
Denkins, Pamela S.; Saganti, P.; Obot, V.; Singleterry, R.
2006-01-01
This viewgraph document reviews the Radiation Interuniversity Science and Engineering (RaISE) Project, which is a project that has as its goals strengthening and furthering the curriculum in radiation sciences at two Historically Black Colleges and Universities (HBCU), Prairie View A&M University and Texas Southern University. Those were chosen in part because of the proximity to NASA Johnson Space Center, a lead center for the Space Radiation Health Program. The presentation reviews the courses that have been developed, both in-class, and on-line.
Kinetic modeling of Nernst effect in magnetized hohlraums.
Joglekar, A S; Ridgers, C P; Kingham, R J; Thomas, A G R
2016-04-01
We present nanosecond time-scale Vlasov-Fokker-Planck-Maxwell modeling of magnetized plasma transport and dynamics in a hohlraum with an applied external magnetic field, under conditions similar to recent experiments. Self-consistent modeling of the kinetic electron momentum equation allows for a complete treatment of the heat flow equation and Ohm's law, including Nernst advection of magnetic fields. In addition to showing the prevalence of nonlocal behavior, we demonstrate that effects such as anomalous heat flow are induced by inverse bremsstrahlung heating. We show magnetic field amplification up to a factor of 3 from Nernst compression into the hohlraum wall. The magnetic field is also expelled towards the hohlraum axis due to Nernst advection faster than frozen-in flux would suggest. Nonlocality contributes to the heat flow towards the hohlraum axis and results in an augmented Nernst advection mechanism that is included self-consistently through kinetic modeling.
Kinetic models for historical processes of fast invasion and aggression
Aristov, Vladimir V.; Ilyin, Oleg V.
2015-04-01
In the last few decades many investigations have been devoted to theoretical models in new areas concerning description of different biological, sociological, and historical processes. In the present paper we suggest a model of the Nazi Germany invasion of Poland, France, and the USSR based on kinetic theory. We simulate this process with the Cauchy boundary problem for two-element kinetic equations. The solution of the problem is given in the form of a traveling wave. The propagation velocity of a front line depends on the quotient between initial forces concentrations. Moreover it is obtained that the general solution of the model can be expressed in terms of quadratures and elementary functions. Finally it is shown that the front-line velocities agree with the historical data.
Reproducing Phenomenology of Peroxidation Kinetics via Model Optimization
Ruslanov, Anatole D.; Bashylau, Anton V.
2010-06-01
We studied mathematical modeling of lipid peroxidation using a biochemical model system of iron (II)-ascorbate-dependent lipid peroxidation of rat hepatocyte mitochondrial fractions. We found that antioxidants extracted from plants demonstrate a high intensity of peroxidation inhibition. We simplified the system of differential equations that describes the kinetics of the mathematical model to a first order equation, which can be solved analytically. Moreover, we endeavor to algorithmically and heuristically recreate the processes and construct an environment that closely resembles the corresponding natural system. Our results demonstrate that it is possible to theoretically predict both the kinetics of oxidation and the intensity of inhibition without resorting to analytical and biochemical research, which is important for cost-effective discovery and development of medical agents with antioxidant action from the medicinal plants.
Chemistry resolved kinetic flow modeling of TATB based explosives
Vitello, Peter; Fried, Laurence E.; William, Howard; Levesque, George; Souers, P. Clark
2012-03-01
Detonation waves in insensitive, TATB-based explosives are believed to have multiple time scale regimes. The initial burn rate of such explosives has a sub-microsecond time scale. However, significant late-time slow release in energy is believed to occur due to diffusion limited growth of carbon. In the intermediate time scale concentrations of product species likely change from being in equilibrium to being kinetic rate controlled. We use the thermo-chemical code CHEETAH linked to an ALE hydrodynamics code to model detonations. We term our model chemistry resolved kinetic flow, since CHEETAH tracks the time dependent concentrations of individual species in the detonation wave and calculates EOS values based on the concentrations. We present here two variants of our new rate model and comparison with hot, ambient, and cold experimental data for PBX 9502.
Comparisons of hydrodynamic beam models with kinetic treatments
Boyd, J.K.; Mark, J.W.; Sharp, W.M.; Yu, S.S.
1983-01-01
Hydrodynamic models have been derived by Mark and Yu and by others to describe energetic self-pinched beams, such as those used in ion-beam fusion. The closure of the Mark-Yu model is obtained with adiabatic assumptions mathematically analogous to those of Chew, Goldberger, and Low for MHD. The other models treated here use an ideal gas closure and a closure by Newcomb based on an expansion in V/sub th//V/sub z/. Features of these hydrodynamic beam models are compared with a kinetic treatment
Focuss algorithm application in kinetic compartment modeling for PET tracer
Huang Xinrui; Bao Shanglian
2004-01-01
Molecular imaging is in the process of becoming. Its application mostly depends on the molecular discovery process of imaging probes and drugs, from the mouse to the patient, from research to clinical practice. Positron emission tomography (PET) can non-invasively monitor . pharmacokinetic and functional processes of drugs in intact organisms at tracer concentrations by kinetic modeling. It has been known that for all biological systems, linear or nonlinear, if the system is injected by a tracer in a steady state, the distribution of the tracer follows the kinetics of a linear compartmental system, which has sums of exponential solutions. Based on the general compartmental description of the tracer's fate in vivo, we presented a novel kinetic modeling approach for the quantification of in vivo tracer studies with dynamic positron emission tomography (PET), which can determine a parsimonious model consisting with the measured data. This kinetic modeling technique allows for estimation of parametric images from a voxel based analysis and requires no a priori decision about the tracer's fate in vivo, instead determining the most appropriate model from the information contained within the kinetic data. Choosing a set of exponential functions, convolved with the plasma input function, as basis functions, the time activity curve of a region or a pixel can be written as a linear combination of the basis functions with corresponding coefficients. The number of non-zero coefficients returned corresponds to the model order which is related to the number of tissue compartments. The system macro parameters are simply determined using the focal underdetermined system solver (FOCUSS) algorithm. The FOCUSS algorithm is a nonparametric algorithm for finding localized energy solutions from limited data and is a recursive linear estimation procedure. FOCUSS algorithm usually converges very fast, so demands a few iterations. The effectiveness is verified by simulation and clinical
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.
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.
Stepwise kinetic equilibrium models of quantitative polymerase chain reaction
Cobbs Gary
2012-08-01
Full Text Available Abstract Background Numerous models for use in interpreting quantitative PCR (qPCR data are present in recent literature. The most commonly used models assume the amplification in qPCR is exponential and fit an exponential model with a constant rate of increase to a select part of the curve. Kinetic theory may be used to model the annealing phase and does not assume constant efficiency of amplification. Mechanistic models describing the annealing phase with kinetic theory offer the most potential for accurate interpretation of qPCR data. Even so, they have not been thoroughly investigated and are rarely used for interpretation of qPCR data. New results for kinetic modeling of qPCR are presented. Results Two models are presented in which the efficiency of amplification is based on equilibrium solutions for the annealing phase of the qPCR process. Model 1 assumes annealing of complementary targets strands and annealing of target and primers are both reversible reactions and reach a dynamic equilibrium. Model 2 assumes all annealing reactions are nonreversible and equilibrium is static. Both models include the effect of primer concentration during the annealing phase. Analytic formulae are given for the equilibrium values of all single and double stranded molecules at the end of the annealing step. The equilibrium values are then used in a stepwise method to describe the whole qPCR process. Rate constants of kinetic models are the same for solutions that are identical except for possibly having different initial target concentrations. Analysis of qPCR curves from such solutions are thus analyzed by simultaneous non-linear curve fitting with the same rate constant values applying to all curves and each curve having a unique value for initial target concentration. The models were fit to two data sets for which the true initial target concentrations are known. Both models give better fit to observed qPCR data than other kinetic models present in the
Stepwise kinetic equilibrium models of quantitative polymerase chain reaction.
Cobbs, Gary
2012-08-16
Numerous models for use in interpreting quantitative PCR (qPCR) data are present in recent literature. The most commonly used models assume the amplification in qPCR is exponential and fit an exponential model with a constant rate of increase to a select part of the curve. Kinetic theory may be used to model the annealing phase and does not assume constant efficiency of amplification. Mechanistic models describing the annealing phase with kinetic theory offer the most potential for accurate interpretation of qPCR data. Even so, they have not been thoroughly investigated and are rarely used for interpretation of qPCR data. New results for kinetic modeling of qPCR are presented. Two models are presented in which the efficiency of amplification is based on equilibrium solutions for the annealing phase of the qPCR process. Model 1 assumes annealing of complementary targets strands and annealing of target and primers are both reversible reactions and reach a dynamic equilibrium. Model 2 assumes all annealing reactions are nonreversible and equilibrium is static. Both models include the effect of primer concentration during the annealing phase. Analytic formulae are given for the equilibrium values of all single and double stranded molecules at the end of the annealing step. The equilibrium values are then used in a stepwise method to describe the whole qPCR process. Rate constants of kinetic models are the same for solutions that are identical except for possibly having different initial target concentrations. Analysis of qPCR curves from such solutions are thus analyzed by simultaneous non-linear curve fitting with the same rate constant values applying to all curves and each curve having a unique value for initial target concentration. The models were fit to two data sets for which the true initial target concentrations are known. Both models give better fit to observed qPCR data than other kinetic models present in the literature. They also give better estimates of
Tracer kinetic modelling of receptor data with mathematical metabolite correction
Burger, C.; Buck, A.
1996-01-01
Quantitation of metabolic processes with dynamic positron emission tomography (PET) and tracer kinetic modelling relies on the time course of authentic ligand in plasma, i.e. the input curve. The determination of the latter often requires the measurement of labelled metabilites, a laborious procedure. In this study we examined the possibility of mathematical metabolite correction, which might obviate the need for actual metabolite measurements. Mathematical metabilite correction was implemented by estimating the input curve together with kinetic tissue parameters. The general feasibility of the approach was evaluated in a Monte Carlo simulation using a two tissue compartment model. The method was then applied to a series of five human carbon-11 iomazenil PET studies. The measured cerebral tissue time-activity curves were fitted with a single tissue compartment model. For mathematical metabolite correction the input curve following the peak was approximated by a sum of three decaying exponentials, the amplitudes and characteristic half-times of which were then estimated by the fitting routine. In the simulation study the parameters used to generate synthetic tissue time-activity curves (K 1 -k 4 ) were refitted with reasonable identifiability when using mathematical metabolite correciton. Absolute quantitation of distribution volumes was found to be possible provided that the metabolite and the kinetic models are adequate. If the kinetic model is oversimplified, the linearity of the correlation between true and estimated distribution volumes is still maintained, although the linear regression becomes dependent on the input curve. These simulation results were confirmed when applying mathematical metabolite correction to the 11 C iomazenil study. Estimates of the distribution volume calculated with a measured input curve were linearly related to the estimates calculated using mathematical metabolite correction with correlation coefficients >0.990. (orig./MG)
Kinetic models of gene expression including non-coding RNAs
Zhdanov, Vladimir P., E-mail: zhdanov@catalysis.r
2011-03-15
In cells, genes are transcribed into mRNAs, and the latter are translated into proteins. Due to the feedbacks between these processes, the kinetics of gene expression may be complex even in the simplest genetic networks. The corresponding models have already been reviewed in the literature. A new avenue in this field is related to the recognition that the conventional scenario of gene expression is fully applicable only to prokaryotes whose genomes consist of tightly packed protein-coding sequences. In eukaryotic cells, in contrast, such sequences are relatively rare, and the rest of the genome includes numerous transcript units representing non-coding RNAs (ncRNAs). During the past decade, it has become clear that such RNAs play a crucial role in gene expression and accordingly influence a multitude of cellular processes both in the normal state and during diseases. The numerous biological functions of ncRNAs are based primarily on their abilities to silence genes via pairing with a target mRNA and subsequently preventing its translation or facilitating degradation of the mRNA-ncRNA complex. Many other abilities of ncRNAs have been discovered as well. Our review is focused on the available kinetic models describing the mRNA, ncRNA and protein interplay. In particular, we systematically present the simplest models without kinetic feedbacks, models containing feedbacks and predicting bistability and oscillations in simple genetic networks, and models describing the effect of ncRNAs on complex genetic networks. Mathematically, the presentation is based primarily on temporal mean-field kinetic equations. The stochastic and spatio-temporal effects are also briefly discussed.
Comparison of kinetic model for biogas production from corn cob
Shitophyta, L. M.; Maryudi
2018-04-01
Energy demand increases every day, while the energy source especially fossil energy depletes increasingly. One of the solutions to overcome the energy depletion is to provide renewable energies such as biogas. Biogas can be generated by corn cob and food waste. In this study, biogas production was carried out by solid-state anaerobic digestion. The steps of biogas production were the preparation of feedstock, the solid-state anaerobic digestion, and the measurement of biogas volume. This study was conducted on TS content of 20%, 22%, and 24%. The aim of this research was to compare kinetic models of biogas production from corn cob and food waste as a co-digestion using the linear, exponential equation, and first-kinetic models. The result showed that the exponential equation had a better correlation than the linear equation on the ascending graph of biogas production. On the contrary, the linear equation had a better correlation than the exponential equation on the descending graph of biogas production. The correlation values on the first-kinetic model had the smallest value compared to the linear and exponential models.
Modelling reveals kinetic advantages of co-transcriptional splicing.
Stuart Aitken
2011-10-01
Full Text Available Messenger RNA splicing is an essential and complex process for the removal of intron sequences. Whereas the composition of the splicing machinery is mostly known, the kinetics of splicing, the catalytic activity of splicing factors and the interdependency of transcription, splicing and mRNA 3' end formation are less well understood. We propose a stochastic model of splicing kinetics that explains data obtained from high-resolution kinetic analyses of transcription, splicing and 3' end formation during induction of an intron-containing reporter gene in budding yeast. Modelling reveals co-transcriptional splicing to be the most probable and most efficient splicing pathway for the reporter transcripts, due in part to a positive feedback mechanism for co-transcriptional second step splicing. Model comparison is used to assess the alternative representations of reactions. Modelling also indicates the functional coupling of transcription and splicing, because both the rate of initiation of transcription and the probability that step one of splicing occurs co-transcriptionally are reduced, when the second step of splicing is abolished in a mutant reporter.
Modelling reveals kinetic advantages of co-transcriptional splicing.
Aitken, Stuart; Alexander, Ross D; Beggs, Jean D
2011-10-01
Messenger RNA splicing is an essential and complex process for the removal of intron sequences. Whereas the composition of the splicing machinery is mostly known, the kinetics of splicing, the catalytic activity of splicing factors and the interdependency of transcription, splicing and mRNA 3' end formation are less well understood. We propose a stochastic model of splicing kinetics that explains data obtained from high-resolution kinetic analyses of transcription, splicing and 3' end formation during induction of an intron-containing reporter gene in budding yeast. Modelling reveals co-transcriptional splicing to be the most probable and most efficient splicing pathway for the reporter transcripts, due in part to a positive feedback mechanism for co-transcriptional second step splicing. Model comparison is used to assess the alternative representations of reactions. Modelling also indicates the functional coupling of transcription and splicing, because both the rate of initiation of transcription and the probability that step one of splicing occurs co-transcriptionally are reduced, when the second step of splicing is abolished in a mutant reporter.
Progress in Chemical Kinetic Modeling for Surrogate Fuels
Pitz, W J; Westbrook, C K; Herbinet, O; Silke, E J
2008-06-06
Gasoline, diesel, and other alternative transportation fuels contain hundreds to thousands of compounds. It is currently not possible to represent all these compounds in detailed chemical kinetic models. Instead, these fuels are represented by surrogate fuel models which contain a limited number of representative compounds. We have been extending the list of compounds for detailed chemical models that are available for use in fuel surrogate models. Detailed models for components with larger and more complicated fuel molecular structures are now available. These advancements are allowing a more accurate representation of practical and alternative fuels. We have developed detailed chemical kinetic models for fuels with higher molecular weight fuel molecules such as n-hexadecane (C16). Also, we can consider more complicated fuel molecular structures like cyclic alkanes and aromatics that are found in practical fuels. For alternative fuels, the capability to model large biodiesel fuels that have ester structures is becoming available. These newly addressed cyclic and ester structures in fuels profoundly affect the reaction rate of the fuel predicted by the model. Finally, these surrogate fuel models contain large numbers of species and reactions and must be reduced for use in multi-dimensional models for spark-ignition, HCCI and diesel engines.
Mechanisms and kinetics models for ultrasonic waste activated sludge disintegration.
Wang, Fen; Wang, Yong; Ji, Min
2005-08-31
Ultrasonic energy can be applied as pre-treatment to disintegrate sludge flocs and disrupt bacterial cells' walls, and the hydrolysis can be improved, so that the rate of sludge digestion and methane production is improved. In this paper, by adding NaHCO3 to mask the oxidizing effect of OH, the mechanisms of disintegration are investigated. In addition, kinetics models for ultrasonic sludge disintegration are established by applying multi-variable linear regression method. It has been found that hydro-mechanical shear forces predominantly responsible for the disintegration, and the contribution of oxidizing effect of OH increases with the amount of the ultrasonic density and ultrasonic intensity. It has also been inferred from the kinetics model which dependent variable is SCOD+ that both sludge pH and sludge concentration significantly affect the disintegration.
A kinetic model for the first stage of pygas upgrading
J. L. de Medeiros
2007-03-01
Full Text Available Pyrolysis gasoline - PYGAS - is an intermediate boiling product of naphtha steam cracking with a high octane number and high aromatic/unsaturated contents. Due to stabilization concerns, PYGAS must be hydrotreated in two stages. The first stage uses a mild trickle-bed conversion for removing extremely reactive species (styrene, dienes and olefins prior to the more severe second stage where sulfured and remaining olefins are hydrogenated in gas phase. This work addresses the reaction network and two-phase kinetic model for the first stage of PYGAS upgrading. Nonlinear estimation was used for model tuning with kinetic data obtained in bench-scale trickle-bed hydrogenation with a commercial Pd/Al2O3 catalyst. On-line sampling experiments were designed to study the influence of variables - temperature and spatial velocity - on the conversion of styrene, dienes and olefins.
Polar Coordinate Lattice Boltzmann Kinetic Modeling of Detonation Phenomena
Lin Chuan-Dong; Li Ying-Jun; Xu Ai-Guo; Zhang Guang-Cai
2014-01-01
A novel polar coordinate lattice Boltzmann kinetic model for detonation phenomena is presented and applied to investigate typical implosion and explosion processes. In this model, the change of discrete distribution function due to local chemical reaction is dynamically coupled into the modified lattice Boltzmann equation which could recover the Navier—Stokes equations, including contribution of chemical reaction, via the Chapman—Enskog expansion. For the numerical investigations, the main focuses are the nonequilibrium behaviors in these processes. The system at the disc center is always in its thermodynamic equilibrium in the highly symmetric case. The internal kinetic energies in different degrees of freedom around the detonation front do not coincide. The dependence of the reaction rate on the pressure, influences of the shock strength and reaction rate on the departure amplitude of the system from its local thermodynamic equilibrium are probed. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)
Kinetics approach to modeling of polymer additive degradation in lubricants
llyaI.KUDISH; RubenG.AIRAPETYAN; Michael; J.; COVITCH
2001-01-01
A kinetics problem for a degrading polymer additive dissolved in a base stock is studied.The polymer degradation may be caused by the combination of such lubricant flow parameters aspressure, elongational strain rate, and temperature as well as lubricant viscosity and the polymercharacteristics (dissociation energy, bead radius, bond length, etc.). A fundamental approach tothe problem of modeling mechanically induced polymer degradation is proposed. The polymerdegradation is modeled on the basis of a kinetic equation for the density of the statistical distribu-tion of polymer molecules as a function of their molecular weight. The integrodifferential kineticequation for polymer degradation is solved numerically. The effects of pressure, elongational strainrate, temperature, and lubricant viscosity on the process of lubricant degradation are considered.The increase of pressure promotes fast degradation while the increase of temperature delaysdegradation. A comparison of a numerically calculated molecular weight distribution with an ex-perimental one obtained in bench tests showed that they are in excellent agreement with eachother.
Kinetic modelling of radiochemical ageing of ethylene-propylene copolymers
Colin, Xavier; Richaud, Emmanuel; Verdu, Jacques; Monchy-Leroy, Carole
2010-01-01
A non-empirical kinetic model has been built for describing the general trends of radiooxidation kinetics of ethylene-propylene copolymers (EPR) at low γ dose rate and low temperature. It is derived from a radical chain oxidation mechanism composed of 30 elementary reactions: 19 relative to oxidation of methylene and methyne units plus 11 relative to their eventual cooxidation. The validity of this model has been already checked successfully elsewhere for one homopolymer: polyethylene (PE) (; ). In the present study, it is now checked for polypropylene (PP) and a series of three EPR differing essentially by their mole fraction of ethylene (37%, 73% and 86%) and their crystallinity degree (0%, 5% and 26%). Predicted values of radiation-chemical yields are in good agreement with experimental ones published in the last half past century.
Kinetic modeling and exploratory numerical simulation of chloroplastic starch degradation
Nag Ambarish
2011-06-01
Full Text Available Abstract Background Higher plants and algae are able to fix atmospheric carbon dioxide through photosynthesis and store this fixed carbon in large quantities as starch, which can be hydrolyzed into sugars serving as feedstock for fermentation to biofuels and precursors. Rational engineering of carbon flow in plant cells requires a greater understanding of how starch breakdown fluxes respond to variations in enzyme concentrations, kinetic parameters, and metabolite concentrations. We have therefore developed and simulated a detailed kinetic ordinary differential equation model of the degradation pathways for starch synthesized in plants and green algae, which to our knowledge is the most complete such model reported to date. Results Simulation with 9 internal metabolites and 8 external metabolites, the concentrations of the latter fixed at reasonable biochemical values, leads to a single reference solution showing β-amylase activity to be the rate-limiting step in carbon flow from starch degradation. Additionally, the response coefficients for stromal glucose to the glucose transporter kcat and KM are substantial, whereas those for cytosolic glucose are not, consistent with a kinetic bottleneck due to transport. Response coefficient norms show stromal maltopentaose and cytosolic glucosylated arabinogalactan to be the most and least globally sensitive metabolites, respectively, and β-amylase kcat and KM for starch to be the kinetic parameters with the largest aggregate effect on metabolite concentrations as a whole. The latter kinetic parameters, together with those for glucose transport, have the greatest effect on stromal glucose, which is a precursor for biofuel synthetic pathways. Exploration of the steady-state solution space with respect to concentrations of 6 external metabolites and 8 dynamic metabolite concentrations show that stromal metabolism is strongly coupled to starch levels, and that transport between compartments serves to
Commuting quantum circuits and complexity of Ising partition functions
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)
A model for recovery kinetics of aluminum after large strain
Yu, Tianbo; Hansen, Niels
2012-01-01
A model is suggested to analyze recovery kinetics of heavily deformed aluminum. The model is based on the hardness of isothermal annealed samples before recrystallization takes place, and it can be extrapolated to longer annealing times to factor out the recrystallization component of the hardness...... for conditions where recovery and recrystallization overlap. The model is applied to the isothermal recovery at temperatures between 140 and 220°C of commercial purity aluminum deformed to true strain 5.5. EBSD measurements have been carried out to detect the onset of discontinuous recrystallization. Furthermore...
An experimental and kinetic modeling study of glycerol pyrolysis
Fantozzi, F.; Frassoldati, A.; Bartocci, P.; Cinti, G.; Quagliarini, F.; Bidini, G.; Ranzi, E.M.
2016-01-01
Highlights: • Glycerol pyrolysis can produce about 44–48%v hydrogen at 750–800 °C. • A simplified 452 reactions kinetic model of glycerol pyrolysis has been developed. • The model has good agreement with experimental data. • Non condensable gas yields can reach 70%. - Abstract: Pyrolysis of glycerol, a by-product of the biodiesel industry, is an important potential source of hydrogen. The obtained high calorific value gas can be used either as a fuel for combined heat and power (CHP) generation or as a transportation fuel (for example hydrogen to be used in fuel cells). Optimal process conditions can improve glycerol pyrolysis by increasing gas yield and hydrogen concentration. A detailed kinetic mechanism of glycerol pyrolysis, which involves 137 species and more than 4500 reactions, was drastically simplified and reduced to a new skeletal kinetic scheme of 44 species, involved in 452 reactions. An experimental campaign with a batch pyrolysis reactor was properly designed to further validate the original and the skeletal mechanisms. The comparisons between model predictions and experimental data strongly suggest the presence of a catalytic process promoting steam reforming of methane. High pyrolysis temperatures (750–800 °C) improve process performances and non-condensable gas yields of 70%w can be achieved. Hydrogen mole fraction in pyrolysis gas is about 44–48%v. The skeletal mechanism developed can be easily used in Computational Fluid Dynamic software, reducing the simulation time.
Modelling of individual subject ozone exposure response kinetics.
Schelegle, Edward S; Adams, William C; Walby, William F; Marion, M Susan
2012-06-01
A better understanding of individual subject ozone (O(3)) exposure response kinetics will provide insight into how to improve models used in the risk assessment of ambient ozone exposure. To develop a simple two compartment exposure-response model that describes individual subject decrements in forced expiratory volume in one second (FEV(1)) induced by the acute inhalation of O(3) lasting up to 8 h. FEV(1) measurements of 220 subjects who participated in 14 previously completed studies were fit to the model using both particle swarm and nonlinear least squares optimization techniques to identify three subject-specific coefficients producing minimum "global" and local errors, respectively. Observed and predicted decrements in FEV(1) of the 220 subjects were used for validation of the model. Further validation was provided by comparing the observed O(3)-induced FEV(1) decrements in an additional eight studies with predicted values obtained using model coefficients estimated from the 220 subjects used in cross validation. Overall the individual subject measured and modeled FEV(1) decrements were highly correlated (mean R(2) of 0.69 ± 0.24). In addition, it was shown that a matrix of individual subject model coefficients can be used to predict the mean and variance of group decrements in FEV(1). This modeling approach provides insight into individual subject O(3) exposure response kinetics and provides a potential starting point for improving the risk assessment of environmental O(3) exposure.
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...
Integrated stoichiometric, thermodynamic and kinetic modelling of steady state metabolism.
Fleming, R M T; Thiele, I; Provan, G; Nasheuer, H P
2010-06-07
The quantitative analysis of biochemical reactions and metabolites is at frontier of biological sciences. The recent availability of high-throughput technology data sets in biology has paved the way for new modelling approaches at various levels of complexity including the metabolome of a cell or an organism. Understanding the metabolism of a single cell and multi-cell organism will provide the knowledge for the rational design of growth conditions to produce commercially valuable reagents in biotechnology. Here, we demonstrate how equations representing steady state mass conservation, energy conservation, the second law of thermodynamics, and reversible enzyme kinetics can be formulated as a single system of linear equalities and inequalities, in addition to linear equalities on exponential variables. Even though the feasible set is non-convex, the reformulation is exact and amenable to large-scale numerical analysis, a prerequisite for computationally feasible genome scale modelling. Integrating flux, concentration and kinetic variables in a unified constraint-based formulation is aimed at increasing the quantitative predictive capacity of flux balance analysis. Incorporation of experimental and theoretical bounds on thermodynamic and kinetic variables ensures that the predicted steady state fluxes are both thermodynamically and biochemically feasible. The resulting in silico predictions are tested against fluxomic data for central metabolism in Escherichia coli and compare favourably with in silico prediction by flux balance analysis. Copyright (c) 2010 Elsevier Ltd. All rights reserved.
Kinetic modeling of ethylbenzene dehydrogenation over hydrotalcite catalysts
Atanda, Luqman
2011-07-01
Kinetics of ethylbenzene dehydrogenation to styrene was investigated over a series of quaternary mixed oxides of Mg3Fe0.25Me0.25Al0.5 (Me=Co, Mn and Ni) catalysts prepared by calcination of hydrotalcite-like compounds and compared with commercial catalyst. The study was carried out in the absence of steam using a riser simulator at 400, 450, 500 and 550°C for reaction times of 5, 10, 15 and 20s. Mg3Fe0.25Mn0.25Al0.5 afforded the highest ethylbenzene conversion of 19.7% at 550°C. Kinetic parameters for the dehydrogenation process were determined using the catalyst deactivation function based on reactant conversion model. The apparent activation energies for styrene production were found to decrease as follows: E1-Ni>E1-Co>E1-Mn. © 2011 Elsevier B.V.
Kinetic modelling and mechanism of dye adsorption on unburned carbon
Wang, S.B.; Li, H.T. [Curtin University of Technology, Perth, WA (Australia). Dept. of Chemical Engineering
2007-07-01
Textile dyeing processes are among the most environmentally unfriendly industrial processes by producing coloured wastewaters. The adsorption method using unburned carbon from coal combustion residue was studied for the decolourisation of typical acidic and basic dyes. It was discovered that the unburned carbon showed high adsorption capacity at 1.97 x 10{sup -4} and 5.27 x 10{sup -4} mol/g for Basic Violet 3 and Acid Black 1, respectively. The solution pH, particle size and temperature significantly influenced the adsorption capacity. Higher solution pH favoured the adsorption of basic dye while reduced the adsorption of acid dye. The adsorption of dye increased with increasing temperature but decreased with increasing particle size. Sorption kinetic data indicated that the adsorption kinetics followed the pseudo-second-order model. The adsorption mechanism consisted of two processes, external diffusion and intraparticle diffusion, and the external diffusion was the dominating process.
A neural model of border-ownership from kinetic occlusion.
Layton, Oliver W; Yazdanbakhsh, Arash
2015-01-01
Camouflaged animals that have very similar textures to their surroundings are difficult to detect when stationary. However, when an animal moves, humans readily see a figure at a different depth than the background. How do humans perceive a figure breaking camouflage, even though the texture of the figure and its background may be statistically identical in luminance? We present a model that demonstrates how the primate visual system performs figure-ground segregation in extreme cases of breaking camouflage based on motion alone. Border-ownership signals develop as an emergent property in model V2 units whose receptive fields are nearby kinetically defined borders that separate the figure and background. Model simulations support border-ownership as a general mechanism by which the visual system performs figure-ground segregation, despite whether figure-ground boundaries are defined by luminance or motion contrast. The gradient of motion- and luminance-related border-ownership signals explains the perceived depth ordering of the foreground and background surfaces. Our model predicts that V2 neurons, which are sensitive to kinetic edges, are selective to border-ownership (magnocellular B cells). A distinct population of model V2 neurons is selective to border-ownership in figures defined by luminance contrast (parvocellular B cells). B cells in model V2 receive feedback from neurons in V4 and MT with larger receptive fields to bias border-ownership signals toward the figure. We predict that neurons in V4 and MT sensitive to kinetically defined figures play a crucial role in determining whether the foreground surface accretes, deletes, or produces a shearing motion with respect to the background. Copyright © 2014 Elsevier Ltd. All rights reserved.
The modelling of direct chemical kinetic effects in turbulent flames
Lindstet, R.P. [Imperial College of Science, Technology and Medicine, London (United Kingdom). Dept. of Mechanical Engineering
2000-06-01
Combustion chemistry-related effects have traditionally been of secondary importance in the design of gas turbine combustors. However, the need to deal with issues such as flame stability, relight and pollutant emissions has served to bring chemical kinetics and the coupling of finite rate chemistry with turbulent flow fields to the centre of combustor design. Indeed, improved cycle efficiency and more stringent environmental legislation, as defined by the ICAO, are current key motivators in combustor design. Furthermore, lean premixed prevaporized (LPP) combustion systems, increasingly used for power generation, often operate close to the lean blow-off limit and are prone to extinction/reignition type phenomena. Thus, current key design issues require that direct chemical kinetic effects be accounted for accurately in any simulation procedure. The transported probability density function (PDF) approach uniquely offers the potential of facilitating the accurate modelling of such effects. The present paper thus assesses the ability of this technique to model kinetically controlled phenomena, such as carbon monoxide emissions and flame blow-off, through the application of a transported PDF method closed at the joint scalar level. The closure for the velocity field is at the second moment level, and a key feature of the present work is the use of comprehensive chemical kinetic mechanisms. The latter are derived from recent work by Lindstedt and co-workers that has resulted in a compact 141 reactions and 28 species mechanism for LNG combustion. The systematically reduced form used here features 14 independent C/H/O scalars, with the remaining species incorporated via steady state approximations. Computations have been performed for hydrogen/carbon dioxide and methane flames. The former (high Reynolds number) flames permit an assessment of the modelling of flame blow-off, and the methane flame has been selected to obtain an indication of the influence of differential
An enhanced Brinson model with modified kinetics for martensite transformation
Kim, Young-Jin; Lee, Jung Ju [Korea Advanced Institute of Science and Technology, Daejeon (Korea, Republic of); Jeong, Ju-Won [Korea Aerospace Research Institute, Daejeon (Korea, Republic of); Lim, Jae Hyuk [Chonbuk National University, Jeonju (Korea, Republic of)
2017-03-15
We propose an enhanced Brinson model with modified kinetics for martensite transformation. Two additional material constants are considered to follow the stress-temperature diagram above austenite start temperature (As) along with treatment to keep the continuity of the martensite volume fraction and the path dependency of the phase transformation. To demonstrate the performance of the proposed model, we implement this algorithm into ABAQUS user subroutine, then conduct several numerical simulations and compare their results with SMA wire experiments as well as those of three-dimensional SMA constitutive models. From the results, it turns out that the proposed model is as accurate as the three-dimensional models and shows better accuracy over original Brinson model in terms of recovery stress.
A physiologically based kinetic model for bacterial sulfide oxidation.
Klok, Johannes B M; de Graaff, Marco; van den Bosch, Pim L F; Boelee, Nadine C; Keesman, Karel J; Janssen, Albert J H
2013-02-01
In the biotechnological process for hydrogen sulfide removal from gas streams, a variety of oxidation products can be formed. Under natron-alkaline conditions, sulfide is oxidized by haloalkaliphilic sulfide oxidizing bacteria via flavocytochrome c oxidoreductase. From previous studies, it was concluded that the oxidation-reduction state of cytochrome c is a direct measure for the bacterial end-product formation. Given this physiological feature, incorporation of the oxidation state of cytochrome c in a mathematical model for the bacterial oxidation kinetics will yield a physiologically based model structure. This paper presents a physiologically based model, describing the dynamic formation of the various end-products in the biodesulfurization process. It consists of three elements: 1) Michaelis-Menten kinetics combined with 2) a cytochrome c driven mechanism describing 3) the rate determining enzymes of the respiratory system of haloalkaliphilic sulfide oxidizing bacteria. The proposed model is successfully validated against independent data obtained from biological respiration tests and bench scale gas-lift reactor experiments. The results demonstrate that the model is a powerful tool to describe product formation for haloalkaliphilic biomass under dynamic conditions. The model predicts a maximum S⁰ formation of about 98 mol%. A future challenge is the optimization of this bioprocess by improving the dissolved oxygen control strategy and reactor design. Copyright © 2012 Elsevier Ltd. All rights reserved.
Small velocity and finite temperature variations in kinetic relaxation models
Markowich, Peter; Jü ngel, Ansgar; Aoki, Kazuo
2010-01-01
A small Knuden number analysis of a kinetic equation in the diffusive scaling is performed. The collision kernel is of BGK type with a general local Gibbs state. Assuming that the flow velocity is of the order of the Knudsen number, a Hilbert expansion yields a macroscopic model with finite temperature variations, whose complexity lies in between the hydrodynamic and the energy-transport equations. Its mathematical structure is explored and macroscopic models for specific examples of the global Gibbs state are presented. © American Institute of Mathematical Sciences.
Bailey, D H; Borwein, J M; Crandall, R E
2006-01-01
From an experimental-mathematical perspective we analyse 'Ising-class' integrals. These are structurally related n-dimensional integrals we call C n , D n , E n , where D n is a magnetic susceptibility integral central to the Ising theory of solid-state physics. We first analyse C n := 4/(n factorial) ∫ 0 ∞ ... ∫ 0 ∞ 1/(Σ j=1 n (u j + 1/u j )) 2 du 1 /u 1 ... du n /u n . We had conjectured-on the basis of extreme-precision numerical quadrature-that C n has a finite large-n limit, namely C ∞ = 2 e -2γ , with γ being the Euler constant. On such a numerological clue we are able to prove the conjecture. We then show that integrals D n and E n both decay exponentially with n, in a certain rigorous sense. While C n , D n remain unresolved for n ≥ 5, we were able to conjecture a closed form for E 5 . Our experimental results involved extreme-precision, multidimensional quadrature on intricate integrands; thus, a highly parallel computation was required
Sznajd, J.
2016-12-01
The linear perturbation renormalization group (LPRG) is used to study the phase transition of the weakly coupled Ising chains with intrachain (J ) and interchain nearest-neighbor (J1) and next-nearest-neighbor (J2) interactions forming the triangular and rectangular lattices in a field. The phase diagrams with the frustration point at J2=-J1/2 for a rectangular lattice and J2=-J1 for a triangular lattice have been found. The LPRG calculations support the idea that the phase transition is always continuous except for the frustration point and is accompanied by a divergence of the specific heat. For the antiferromagnetic chains, the external field does not change substantially the shape of the phase diagram. The critical temperature is suppressed to zero according to the power law when approaching the frustration point with an exponent dependent on the value of the field.
Norepinephrine metabolism in humans. Kinetic analysis and model
Linares, O.A.; Jacquez, J.A.; Zech, L.A.; Smith, M.J.; Sanfield, J.A.; Morrow, L.A.; Rosen, S.G.; Halter, J.B.
1987-01-01
The present study was undertaken to quantify more precisely and to begin to address the problem of heterogeneity of the kinetics of distribution and metabolism of norepinephrine (NE) in humans, by using compartmental analysis. Steady-state NE specific activity in arterialized plasma during [ 3 H]NE infusion and postinfusion plasma disappearance of [ 3 H]NE were measured in eight healthy subjects in the supine and upright positions. Two exponentials were clearly identified in the plasma [ 3 H]NE disappearance curves of each subject studied in the supine (r = 0.94-1.00, all P less than 0.01) and upright (r = 0.90-0.98, all P less than 0.01) positions. A two-compartment model was the minimal model necessary to simultaneously describe the kinetics of NE in the supine and upright positions. The NE input rate into the extravascular compartment 2, estimated with the minimal model, increased with upright posture (1.87 +/- 0.08 vs. 3.25 +/- 0.2 micrograms/min per m2, P less than 0.001). Upright posture was associated with a fall in the volume of distribution of NE in compartment 1 (7.5 +/- 0.6 vs. 4.7 +/- 0.3 liters, P less than 0.001), and as a result of that, there was a fall in the metabolic clearance rate of NE from compartment 1 (1.80 +/- 0.11 vs. 1.21 +/- 0.08 liters/min per m2, P less than 0.001). We conclude that a two-compartment model is the minimal model that can accurately describe the kinetics of distribution and metabolism of NE in humans
Critical behavior of ferromagnetic Ising thin films
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
Simultaneous removal of sulfide, nitrate and acetate: Kinetic modeling
Wang Aijie; Liu Chunshuang; Ren Nanqi; Han Hongjun; Lee Duujong
2010-01-01
Biological removal of sulfide, nitrate and chemical oxygen demand (COD) simultaneously from industrial wastewaters to elementary sulfur (S 0 ), N 2 , and CO 2 , or named the denitrifying sulfide (DSR) process, is a cost effective and environmentally friendly treatment process for high strength sulfide and nitrate laden organic wastewater. Kinetic model for the DSR process was established for the first time on the basis of Activated Sludge Model No. 1 (ASM1). The DSR experiments were conducted at influent sulfide concentrations of 200-800 mg/L, whose results calibrate the model parameters. The model correlates well with the DSR process dynamics. By introducing the switch function and the inhibition function, the competition between autotrophic and heterotrophic denitrifiers is quantitatively described and the degree of inhibition of sulfide on heterotrophic denitrifiers is realized. The model output indicates that the DSR reactor can work well at 0.5 1000 mg/L influent sulfide, however, the DSR system will break down.
3D CFD Modeling of the LMF System: Desulfurization Kinetics
Cao, Qing; Pitts, April; Zhang, Daojie; Nastac, Laurentiu; Williams, Robert
A fully transient 3D CFD modeling approach capable of predicting the three phase (gas, slag and steel) fluid flow characteristics and behavior of the slag/steel interface in the argon gas bottom stirred ladle with two off-centered porous plugs (Ladle Metallurgical Furnace or LMF) has been recently developed. The model predicts reasonably well the fluid flow characteristics in the LMF system and the observed size of the slag eyes for both the high-stirring and low-stirring conditions. A desulfurization reaction kinetics model considering metal/slag interface characteristics is developed in conjunction with the CFD modeling approach. The model is applied in this study to determine the effects of processing time, and gas flow rate on the efficiency of desulfurization in the studied LMF system.
Simulation of styrene polymerization reactors: kinetic and thermodynamic modeling
A. S. Almeida
2008-06-01
Full Text Available A mathematical model for the free radical polymerization of styrene is developed to predict the steady-state and dynamic behavior of a continuous process. Special emphasis is given for the kinetic and thermodynamic models, where the most sensitive parameters were estimated using data from an industrial plant. The thermodynamic model is based on a cubic equation of state and a mixing rule applied to the low-pressure vapor-liquid equilibrium of polymeric solutions, suitable for modeling the auto-refrigerated polymerization reactors, which use the vaporization rate to remove the reaction heat from the exothermic reactions. The simulation results show the high predictive capability of the proposed model when compared with plant data for conversion, average molecular weights, polydispersity, melt flow index, and thermal properties for different polymer grades.
Experimental kinetic study and modeling of calcium oxide carbonation
Rouchon, L.
2012-01-01
Anthropogenic carbon dioxide (CO 2 ) emissions, major contributors to the greenhouse effect, are considered as the main cause of global warming. So, decrease of CO 2 emitted by large industrial combustion sources or power plants, is an important scientific goal. One of the approaches is based on CO 2 separation and capture from flue gas, followed by sequestration in a wide range of geological formations. In this aim, CO 2 is captured by sorbents like calcium oxide (CaO) in multi-cycle process of carbonation/de-carbonation. However, it was shown that the most important limitations of such process are related to the reversibility of reaction. CaO rapidly loses activity towards CO 2 , so the maximum extent of carbonation decreases as long as the number of cycles increases. In order to well understand the processes and parameters influencing the capture capacity of CaO-based sorbents, it appears important to get details on the kinetic law governing the reaction, which have not been really studied up to now. To investigate this reaction, CaO carbonation kinetics was followed by means of thermogravimetric analysis (TGA) on divided materials. Special care was given to the validation of the usual kinetic assumptions such as steady state and rate-determining step assumptions. The aim was to obtain a model describing the reaction in order to explain the influence of intensive variables such as carbonation temperature and CO 2 partial pressure. TGA curves obtained under isothermal and isobaric conditions showed an induction period linked to the nucleation process and a strong slowing down of the reaction rate once a given fractional conversion was reached. Both phenomena were observed to depend on carbonation temperature and CO 2 partial pressure. To explain these results, the evolution of texture and microstructure of the solid during the reaction was regarded as essential. Reaction at the grain scale induces a volume increase from CaO to CaCO 3 which causes a change in the
Detailed Modelling of Kinetic Biodegradation Processes in a Laboratory Mmicrocosm
Watson, I.; Oswald, S.; Banwart, S.; Mayer, U.
2003-04-01
Biodegradation of organic contaminants in soil and groundwater usually takes places via different redox processes happening sequentially as well as simultaneously. We used numerical modelling of a long-term lab microcosm experiment to simulate the dynamic behaviour of fermentation and respiration in the aqueous phase in contact with the sandstone material, and to develop a conceptual model describing these processes. Aqueous speciation, surface complexation, mineral dissolution and precipitation were taken into account also. Fermentation can be the first step of the degradation process producing intermediate species, which are subsequently consumed by TEAPs. Microbial growth and substrate utilisation kinetics are coupled via a formulation that also includes aqueous speciation and other geochemical reactions including surface complexation, mineral dissolution and precipitation. Competitive exclusion between TEAPs is integral to the conceptual model of the simulation, and the results indicate that exclusion is not complete, but some overlap is found between TEAPs. The model was used to test approaches like the partial equilibrium approach that currently make use of hydrogen levels to diagnose prevalent TEAPs in groundwater. The observed pattern of hydrogen and acetate concentrations were reproduced well by the simulations, and the results show the relevance of kinetics, lag times and inhibition, and especially that intermediate products play a key role.
Modeling texture kinetics during thermal processing of potato products.
Moyano, P C; Troncoso, E; Pedreschi, F
2007-03-01
A kinetic model based on 2 irreversible serial chemical reactions has been proposed to fit experimental data of texture changes during thermal processing of potato products. The model links dimensionless maximum force F*(MAX) with processing time. Experimental texture changes were obtained during frying of French fries and potato chips at different temperatures, while literature data for blanching/cooking of potato cubes have been considered. A satisfactory agreement between experimental and predicted values was observed, with root mean square values (RMSs) in the range of 4.7% to 16.4% for French fries and 16.7% to 29.3% for potato chips. In the case of blanching/cooking, the proposed model gave RMSs in the range of 1.2% to 17.6%, much better than the 6.2% to 44.0% obtained with the traditional 1st-order kinetics. The model is able to predict likewise the transition from softening to hardening of the tissue during frying.
Modeling of subtle kinetic processes in plasma simulation
Sydora, R.D.; Decyk, V.K.; Dawson, J.M.
1988-01-01
A new diagnostic method for plasma simulation models is presented which enables one to probe the subtle dielectric properties of the plasma medium. The procedure involves the removal of the background plasma response in order to isolate the effects of small perturbing influences which are externally added. We have found the technique accurately describes fundamental kinetic plasma behavior such as the shielding of individual test charges and currents. Wave emission studies and drag of test particles has been carried out in explicit particle algorithms as well as large time step implicit and gyrokinetic models. Accurate plasma behavior is produced and it is possible to investigate in detail, processes which can be compared with plasma kinetic theory. The technique of subtraction is not only limited to particle simulation models but also can be used in MHD or fluid models where resolution is difficult due to the intensity of the background response relative to the phenomena one is interested in measuring, such as a weakly grouwing instability or nonlinear mode coupling effect. (author)
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.
Mathematical Modeling of Conversion Kinetics during Vitrification of Nuclear Waste
Pokorny, Richard; Pierce, David A.; Chun, Jae Hun; Hrma, Pavel
2012-01-01
The last part of the high-level waste (HLW) glass melter that has not yet been fully understood, not to mention mathematically modeled, is the cold cap. Cold cap is a layer of dry melter feed, a mixture of the HLW with glass forming and modifying additives. It floats on the pool of molten glass from which it receives the heat necessary for melting. Mathematical modeling of the cold cap solves differential equations that express the mass and energy balances for the feed-to-glass conversion within the cold cap. The feed-to-glass conversion consists of multiple chemical reactions and phase transitions. Reaction enthalpies and mass losses to gases evolved provide an important input for the cold cap modeling. In this study, we measured the kinetics of cold cap reactions using the non-isothermal thermo-gravimetric analysis (TGA) and differential scanning calorimetry (DSC). These thermoanalytical techniques show multiple overlapping peaks, necessitating the development of a deconvolution method for the determination of the kinetics of major reactions needed for cold cap modeling. Assuming that the cold cap reactions are independent, we expressed the overall rate as a sum of rates of individual reactions that we treat as Arrheniustype processes with a power-law based kinetics. Accordingly, we fitted to experimental data the following equation: dx/dT=1/Φ N Σ 1 w i A i (1-x i ) ni exp(-B i /T) (1) where x is the fraction of material reacted, T is temperature, Φ is the heating rate, wi the weight of the i th reaction (the fraction of the total mass loss caused by the i th reaction), Ai is the i th reaction pre-exponential factor, B i is the i th reaction activation energy, and n i is the i th reaction (apparent) reaction order. Because HLW melter feeds contain a large number of constituents, such as oxides, acids, hydroxides, oxyhydrates, and ionic salts, the number of cold cap reactions is very large indeed. For example, hydroxides, oxyhydrates, boric acid, and various
Improved point-kinetics model for the BWR control rod drop accident
Neogy, P.; Wakabayashi, T.; Carew, J.F.
1985-01-01
A simple prescription to account for spatial feedback weighting effects in RDA (rod drop accident) point-kinetics analyses has been derived and tested. The point-kinetics feedback model is linear in the core peaking factor, F/sub Q/, and in the core average void fraction and fuel temperature. Comparison with detailed spatial kinetics analyses indicates that the improved point-kinetics model provides an accurate description of the BWR RDA
Application of Detailed Chemical Kinetics to Combustion Instability Modeling
2016-01-04
Clearance Number 15692 Clearance Date 12/3/2015 14. ABSTRACT A comparison of a single step global reaction and the detailed GRI -Mech 1.2 for combustion...comparison of a single step global reaction and the detailed GRI -Mech 1.2 for com- bustion instability modeling in a methane-fueled longitudinal-mode...methane as the fuel. We use the GRI -Mech 1.2 kinetics mechanism for methane oxidation.11 The GRI -Mech 1.2 was chosen over 2.11 because the only
Investigating Investment Preferences of Institutional Investors toward ISE Companies
Serkan Yilmaz Kandir
2010-01-01
Institutional investors may be defined as specialized financial institutions that manage savings collectively on behalf of small investors toward specific objectives. Aim of this study is to investigate the factors that affect investment preferences of institutional investors toward ISE companies. Empirical analysis is performed by employing cross-sectional regression model. In the regression model, estimated for the years, 2005, 2006 and 2007, institutional ownership in each company is used ...
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.
A new kinetic model for human iodine metabolism
Ficken, V.J.; Allen, E.W.; Adams, G.D.
1985-01-01
A new kinetic model of iodine metabolism incorporating preferential organification of tyrosil (TYR) residues of thyroglobulin is developed and evaluated for euthyroid (n=5) and hyperthyroid (n=11) subjects. Iodine and peripheral T4 metabolims were measured with oral /sup 131/I-NaI and intravenous /sup 125/I-74 respectively. Data (obtained over 10 days) and kinetic model are analyzed using the SAAM27 program developed by Berman (1978). Compartment rate constants (mean rate per hour +- ISD) are tabulated in this paper. Thyroid and renal iodide clearance compare favorably with values reported in the literature. TYR rate constants were not unique; however, values obtained are within the range of rate constants determined from the invitro data reported by others. Intraluminal iodine as coupled TYR is predicted to be 21% for euthyroid and 59% for hyperthyroid subjects compared to analytical chemical methods of 30% and 51% respectively determined elsewhere. The authors plan to evaluate this model as a method of predicting the thyroid radiation dose from orally administered I/sup 131/