Model dynamics for quantum computing

NASA Astrophysics Data System (ADS)

Tabakin, Frank

2017-08-01

A model master equation suitable for quantum computing dynamics is presented. In an ideal quantum computer (QC), a system of qubits evolves in time unitarily and, by virtue of their entanglement, interfere quantum mechanically to solve otherwise intractable problems. In the real situation, a QC is subject to decoherence and attenuation effects due to interaction with an environment and with possible short-term random disturbances and gate deficiencies. The stability of a QC under such attacks is a key issue for the development of realistic devices. We assume that the influence of the environment can be incorporated by a master equation that includes unitary evolution with gates, supplemented by a Lindblad term. Lindblad operators of various types are explored; namely, steady, pulsed, gate friction, and measurement operators. In the master equation, we use the Lindblad term to describe short time intrusions by random Lindblad pulses. The phenomenological master equation is then extended to include a nonlinear Beretta term that describes the evolution of a closed system with increasing entropy. An external Bath environment is stipulated by a fixed temperature in two different ways. Here we explore the case of a simple one-qubit system in preparation for generalization to multi-qubit, qutrit and hybrid qubit-qutrit systems. This model master equation can be used to test the stability of memory and the efficacy of quantum gates. The properties of such hybrid master equations are explored, with emphasis on the role of thermal equilibrium and entropy constraints. Several significant properties of time-dependent qubit evolution are revealed by this simple study.

Shot-noise at a Fermi-edge singularity: Non-Markovian dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ubbelohde, N.; Maire, N.; Haug, R. J.

2013-12-04

For an InAs quantum dot we study the current shot noise at a Fermi-edge singularity in low temperature cross-correlation measurements. In the regime of the interaction effect the strong suppression of noise observed at zero magnetic field and the sequence of enhancement and suppression in magnetic field go beyond a Markovian master equation model. Qualitative and quantitative agreement can however be achieved by a generalized master equation model taking non-Markovian dynamics into account.

Unbound motion on a Schwarzschild background: Practical approaches to frequency domain computations

NASA Astrophysics Data System (ADS)

Hopper, Seth

2018-03-01

Gravitational perturbations due to a point particle moving on a static black hole background are naturally described in Regge-Wheeler gauge. The first-order field equations reduce to a single master wave equation for each radiative mode. The master function satisfying this wave equation is a linear combination of the metric perturbation amplitudes with a source term arising from the stress-energy tensor of the point particle. The original master functions were found by Regge and Wheeler (odd parity) and Zerilli (even parity). Subsequent work by Moncrief and then Cunningham, Price and Moncrief introduced new master variables which allow time domain reconstruction of the metric perturbation amplitudes. Here, I explore the relationship between these different functions and develop a general procedure for deriving new higher-order master functions from ones already known. The benefit of higher-order functions is that their source terms always converge faster at large distance than their lower-order counterparts. This makes for a dramatic improvement in both the speed and accuracy of frequency domain codes when analyzing unbound motion.

Open Group Transformations Within the Sp(2)-Formalism

NASA Astrophysics Data System (ADS)

Batalin, Igor; Marnelius, Robert

Previously we have shown that open groups whose generators are in arbitrary involutions may be quantized within a ghost extended framework in terms of the nilpotent BFV-BRST charge operator. Here we show that they may also be quantized within an Sp(2)-frame in which there are two odd anticommuting operators called Sp(2)-charges. Previous results for finite open group transformations are generalized to the Sp(2)-formalism. We show that in order to define open group transformations on the whole ghost extended space we need Sp(2)-charges in the nonminimal sector which contains dynamical Lagrange multipliers. We give an Sp(2)-version of the quantum master equation with extended Sp(2)-charges and a master charge of a more involved form, which is proposed to represent the integrability conditions of defining operators of connection operators and which therefore should encode the generalized quantum Maurer-Cartan equations for arbitrary open groups. General solutions of this master equation are given in explicit form. A further extended Sp(2)-formalism is proposed in which the group parameters are quadrupled to a supersymmetric set and from which all results may be derived.

Selected Aspects of Markovian and Non-Markovian Quantum Master Equations

NASA Astrophysics Data System (ADS)

Lendi, K.

A few particular marked properties of quantum dynamical equations accounting for general relaxation and dissipation are selected and summarized in brief. Most results derive from the universal concept of complete positivity. The considerations mainly regard genuinely irreversible processes as characterized by a unique asymptotically stationary final state for arbitrary initial conditions. From ordinary Markovian master equations and associated quantum dynamical semigroup time-evolution, derivations of higher order Onsager coefficients and related entropy production are discussed. For general processes including non-faithful states a regularized version of quantum relative entropy is introduced. Further considerations extend to time-dependent infinitesimal generators of time-evolution and to a possible description of propagation of initial states entangled between open system and environment. In the coherence-vector representation of the full non-Markovian equations including entangled initial states, first results are outlined towards identifying mathematical properties of a restricted class of trial integral-kernel functions suited to phenomenological applications.

An effective rate equation approach to reaction kinetics in small volumes: theory and application to biochemical reactions in nonequilibrium steady-state conditions.

PubMed

Grima, R

2010-07-21

Chemical master equations provide a mathematical description of stochastic reaction kinetics in well-mixed conditions. They are a valid description over length scales that are larger than the reactive mean free path and thus describe kinetics in compartments of mesoscopic and macroscopic dimensions. The trajectories of the stochastic chemical processes described by the master equation can be ensemble-averaged to obtain the average number density of chemical species, i.e., the true concentration, at any spatial scale of interest. For macroscopic volumes, the true concentration is very well approximated by the solution of the corresponding deterministic and macroscopic rate equations, i.e., the macroscopic concentration. However, this equivalence breaks down for mesoscopic volumes. These deviations are particularly significant for open systems and cannot be calculated via the Fokker-Planck or linear-noise approximations of the master equation. We utilize the system-size expansion including terms of the order of Omega(-1/2) to derive a set of differential equations whose solution approximates the true concentration as given by the master equation. These equations are valid in any open or closed chemical reaction network and at both the mesoscopic and macroscopic scales. In the limit of large volumes, the effective mesoscopic rate equations become precisely equal to the conventional macroscopic rate equations. We compare the three formalisms of effective mesoscopic rate equations, conventional rate equations, and chemical master equations by applying them to several biochemical reaction systems (homodimeric and heterodimeric protein-protein interactions, series of sequential enzyme reactions, and positive feedback loops) in nonequilibrium steady-state conditions. In all cases, we find that the effective mesoscopic rate equations can predict very well the true concentration of a chemical species. This provides a useful method by which one can quickly determine the regions of parameter space in which there are maximum differences between the solutions of the master equation and the corresponding rate equations. We show that these differences depend sensitively on the Fano factors and on the inherent structure and topology of the chemical network. The theory of effective mesoscopic rate equations generalizes the conventional rate equations of physical chemistry to describe kinetics in systems of mesoscopic size such as biological cells.

Gravitational decoherence, alternative quantum theories and semiclassical gravity

NASA Astrophysics Data System (ADS)

Hu, B. L.

2014-04-01

In this report we discuss three aspects: 1) Semiclassical gravity theory (SCG): 4 levels of theories describing the interaction of quantum matter with classical gravity. 2) Alternative Quantum Theories: Discerning those which are derivable from general relativity (GR) plus quantum field theory (QFT) from those which are not 3) Gravitational Decoherence: derivation of a master equation and examination of the assumptions which led to the claims of observational possibilities. We list three sets of corresponding problems worthy of pursuit: a) Newton-Schrödinger Equations in relation to SCG; b) Master equation of gravity-induced effects serving as discriminator of 2); and c) Role of gravity in macroscopic quantum phenomena.

Tight-binding approach to overdamped Brownian motion on a bichromatic periodic potential.

PubMed

Nguyen, P T T; Challis, K J; Jack, M W

2016-02-01

We present a theoretical treatment of overdamped Brownian motion on a time-independent bichromatic periodic potential with spatially fast- and slow-changing components. In our approach, we generalize the Wannier basis commonly used in the analysis of periodic systems to define a basis of S states that are localized at local minima of the potential. We demonstrate that the S states are orthonormal and complete on the length scale of the periodicity of the fast-changing potential, and we use the S-state basis to transform the continuous Smoluchowski equation for the system to a discrete master equation describing hopping between local minima. We identify the parameter regime where the master equation description is valid and show that the interwell hopping rates are well approximated by Kramers' escape rate in the limit of deep potential minima. Finally, we use the master equation to explore the system dynamics and determine the drift and diffusion for the system.

Non-linear corrections to the time-covariance function derived from a multi-state chemical master equation.

PubMed

Scott, M

2012-08-01

The time-covariance function captures the dynamics of biochemical fluctuations and contains important information about the underlying kinetic rate parameters. Intrinsic fluctuations in biochemical reaction networks are typically modelled using a master equation formalism. In general, the equation cannot be solved exactly and approximation methods are required. For small fluctuations close to equilibrium, a linearisation of the dynamics provides a very good description of the relaxation of the time-covariance function. As the number of molecules in the system decrease, deviations from the linear theory appear. Carrying out a systematic perturbation expansion of the master equation to capture these effects results in formidable algebra; however, symbolic mathematics packages considerably expedite the computation. The authors demonstrate that non-linear effects can reveal features of the underlying dynamics, such as reaction stoichiometry, not available in linearised theory. Furthermore, in models that exhibit noise-induced oscillations, non-linear corrections result in a shift in the base frequency along with the appearance of a secondary harmonic.

Evolution in time of an N-atom system. I. A physical basis set for the projection of the master equation

NASA Astrophysics Data System (ADS)

Freedhoff, Helen

2004-01-01

We study an aggregate of N identical two-level atoms (TLA’s) coupled by the retarded interatomic interaction, using the Lehmberg-Agarwal master equation. First, we calculate the entangled eigenstates of the system; then, we use these eigenstates as a basis set for the projection of the master equation. We demonstrate that in this basis the equations of motion for the level populations, as well as the expressions for the emission and absorption spectra, assume a simple mathematical structure and allow for a transparent physical interpretation. To illustrate the use of the general theory in emission processes, we study an isosceles triangle of atoms, and present in the long wavelength limit the (cascade) emission spectrum for a hexagon of atoms fully excited at t=0. To illustrate its use for absorption processes, we tabulate (in the same limit) the biexciton absorption frequencies, linewidths, and relative intensities for polygons consisting of N=2,…,9 TLA’s.

A consistent hierarchy of generalized kinetic equation approximations to the master equation applied to surface catalysis.

PubMed

Herschlag, Gregory J; Mitran, Sorin; Lin, Guang

2015-06-21

We develop a hierarchy of approximations to the master equation for systems that exhibit translational invariance and finite-range spatial correlation. Each approximation within the hierarchy is a set of ordinary differential equations that considers spatial correlations of varying lattice distance; the assumption is that the full system will have finite spatial correlations and thus the behavior of the models within the hierarchy will approach that of the full system. We provide evidence of this convergence in the context of one- and two-dimensional numerical examples. Lower levels within the hierarchy that consider shorter spatial correlations are shown to be up to three orders of magnitude faster than traditional kinetic Monte Carlo methods (KMC) for one-dimensional systems, while predicting similar system dynamics and steady states as KMC methods. We then test the hierarchy on a two-dimensional model for the oxidation of CO on RuO2(110), showing that low-order truncations of the hierarchy efficiently capture the essential system dynamics. By considering sequences of models in the hierarchy that account for longer spatial correlations, successive model predictions may be used to establish empirical approximation of error estimates. The hierarchy may be thought of as a class of generalized phenomenological kinetic models since each element of the hierarchy approximates the master equation and the lowest level in the hierarchy is identical to a simple existing phenomenological kinetic models.

Stochastic wave-function unravelling of the generalized Lindblad equation

NASA Astrophysics Data System (ADS)

Semin, V.; Semina, I.; Petruccione, F.

2017-12-01

We investigate generalized non-Markovian stochastic Schrödinger equations (SSEs), driven by a multidimensional counting process and multidimensional Brownian motion introduced by A. Barchielli and C. Pellegrini [J. Math. Phys. 51, 112104 (2010), 10.1063/1.3514539]. We show that these SSEs can be translated in a nonlinear form, which can be efficiently simulated. The simulation is illustrated by the model of a two-level system in a structured bath, and the results of the simulations are compared with the exact solution of the generalized master equation.

Generalized master equations for non-Poisson dynamics on networks.

PubMed

Hoffmann, Till; Porter, Mason A; Lambiotte, Renaud

2012-10-01

The traditional way of studying temporal networks is to aggregate the dynamics of the edges to create a static weighted network. This implicitly assumes that the edges are governed by Poisson processes, which is not typically the case in empirical temporal networks. Accordingly, we examine the effects of non-Poisson inter-event statistics on the dynamics of edges, and we apply the concept of a generalized master equation to the study of continuous-time random walks on networks. We show that this equation reduces to the standard rate equations when the underlying process is Poissonian and that its stationary solution is determined by an effective transition matrix whose leading eigenvector is easy to calculate. We conduct numerical simulations and also derive analytical results for the stationary solution under the assumption that all edges have the same waiting-time distribution. We discuss the implications of our work for dynamical processes on temporal networks and for the construction of network diagnostics that take into account their nontrivial stochastic nature.

Generalized master equations for non-Poisson dynamics on networks

NASA Astrophysics Data System (ADS)

Hoffmann, Till; Porter, Mason A.; Lambiotte, Renaud

2012-10-01

The traditional way of studying temporal networks is to aggregate the dynamics of the edges to create a static weighted network. This implicitly assumes that the edges are governed by Poisson processes, which is not typically the case in empirical temporal networks. Accordingly, we examine the effects of non-Poisson inter-event statistics on the dynamics of edges, and we apply the concept of a generalized master equation to the study of continuous-time random walks on networks. We show that this equation reduces to the standard rate equations when the underlying process is Poissonian and that its stationary solution is determined by an effective transition matrix whose leading eigenvector is easy to calculate. We conduct numerical simulations and also derive analytical results for the stationary solution under the assumption that all edges have the same waiting-time distribution. We discuss the implications of our work for dynamical processes on temporal networks and for the construction of network diagnostics that take into account their nontrivial stochastic nature.

Anomalous transport in fluid field with random waiting time depending on the preceding jump length

NASA Astrophysics Data System (ADS)

Zhang, Hong; Li, Guo-Hua

2016-11-01

Anomalous (or non-Fickian) transport behaviors of particles have been widely observed in complex porous media. To capture the energy-dependent characteristics of non-Fickian transport of a particle in flow fields, in the present paper a generalized continuous time random walk model whose waiting time probability distribution depends on the preceding jump length is introduced, and the corresponding master equation in Fourier-Laplace space for the distribution of particles is derived. As examples, two generalized advection-dispersion equations for Gaussian distribution and lévy flight with the probability density function of waiting time being quadratic dependent on the preceding jump length are obtained by applying the derived master equation. Project supported by the Foundation for Young Key Teachers of Chengdu University of Technology, China (Grant No. KYGG201414) and the Opening Foundation of Geomathematics Key Laboratory of Sichuan Province, China (Grant No. scsxdz2013009).

Heisenberg-Langevin versus quantum master equation

NASA Astrophysics Data System (ADS)

Boyanovsky, Daniel; Jasnow, David

2017-12-01

The quantum master equation is an important tool in the study of quantum open systems. It is often derived under a set of approximations, chief among them the Born (factorization) and Markov (neglect of memory effects) approximations. In this article we study the paradigmatic model of quantum Brownian motion of a harmonic oscillator coupled to a bath of oscillators with a Drude-Ohmic spectral density. We obtain analytically the exact solution of the Heisenberg-Langevin equations, with which we study correlation functions in the asymptotic stationary state. We compare the exact correlation functions to those obtained in the asymptotic long time limit with the quantum master equation in the Born approximation with and without the Markov approximation. In the latter case we implement a systematic derivative expansion that yields the exact asymptotic limit under the factorization approximation only. We find discrepancies that could be significant when the bandwidth of the bath Λ is much larger than the typical scales of the system. We study the exact interaction energy as a proxy for the correlations missed by the Born approximation and find that its dependence on Λ is similar to the discrepancy between the exact solution and that of the quantum master equation in the Born approximation. We quantify the regime of validity of the quantum master equation in the Born approximation with or without the Markov approximation in terms of the system's relaxation rate γ , its unrenormalized natural frequency Ω and Λ : γ /Ω ≪1 and also γ Λ /Ω2≪1 . The reliability of the Born approximation is discussed within the context of recent experimental settings and more general environments.

Derivation of exact master equation with stochastic description: dissipative harmonic oscillator.

PubMed

Li, Haifeng; Shao, Jiushu; Wang, Shikuan

2011-11-01

A systematic procedure for deriving the master equation of a dissipative system is reported in the framework of stochastic description. For the Caldeira-Leggett model of the harmonic-oscillator bath, a detailed and elementary derivation of the bath-induced stochastic field is presented. The dynamics of the system is thereby fully described by a stochastic differential equation, and the desired master equation would be acquired with statistical averaging. It is shown that the existence of a closed-form master equation depends on the specificity of the system as well as the feature of the dissipation characterized by the spectral density function. For a dissipative harmonic oscillator it is observed that the correlation between the stochastic field due to the bath and the system can be decoupled, and the master equation naturally results. Such an equation possesses the Lindblad form in which time-dependent coefficients are determined by a set of integral equations. It is proved that the obtained master equation is equivalent to the well-known Hu-Paz-Zhang equation based on the path-integral technique. The procedure is also used to obtain the master equation of a dissipative harmonic oscillator in time-dependent fields.

Stochastic model simulation using Kronecker product analysis and Zassenhaus formula approximation.

PubMed

Caglar, Mehmet Umut; Pal, Ranadip

2013-01-01

Probabilistic Models are regularly applied in Genetic Regulatory Network modeling to capture the stochastic behavior observed in the generation of biological entities such as mRNA or proteins. Several approaches including Stochastic Master Equations and Probabilistic Boolean Networks have been proposed to model the stochastic behavior in genetic regulatory networks. It is generally accepted that Stochastic Master Equation is a fundamental model that can describe the system being investigated in fine detail, but the application of this model is computationally enormously expensive. On the other hand, Probabilistic Boolean Network captures only the coarse-scale stochastic properties of the system without modeling the detailed interactions. We propose a new approximation of the stochastic master equation model that is able to capture the finer details of the modeled system including bistabilities and oscillatory behavior, and yet has a significantly lower computational complexity. In this new method, we represent the system using tensors and derive an identity to exploit the sparse connectivity of regulatory targets for complexity reduction. The algorithm involves an approximation based on Zassenhaus formula to represent the exponential of a sum of matrices as product of matrices. We derive upper bounds on the expected error of the proposed model distribution as compared to the stochastic master equation model distribution. Simulation results of the application of the model to four different biological benchmark systems illustrate performance comparable to detailed stochastic master equation models but with considerably lower computational complexity. The results also demonstrate the reduced complexity of the new approach as compared to commonly used Stochastic Simulation Algorithm for equivalent accuracy.

General solution of the chemical master equation and modality of marginal distributions for hierarchic first-order reaction networks.

PubMed

Reis, Matthias; Kromer, Justus A; Klipp, Edda

2018-01-20

Multimodality is a phenomenon which complicates the analysis of statistical data based exclusively on mean and variance. Here, we present criteria for multimodality in hierarchic first-order reaction networks, consisting of catalytic and splitting reactions. Those networks are characterized by independent and dependent subnetworks. First, we prove the general solvability of the Chemical Master Equation (CME) for this type of reaction network and thereby extend the class of solvable CME's. Our general solution is analytical in the sense that it allows for a detailed analysis of its statistical properties. Given Poisson/deterministic initial conditions, we then prove the independent species to be Poisson/binomially distributed, while the dependent species exhibit generalized Poisson/Khatri Type B distributions. Generalized Poisson/Khatri Type B distributions are multimodal for an appropriate choice of parameters. We illustrate our criteria for multimodality by several basic models, as well as the well-known two-stage transcription-translation network and Bateman's model from nuclear physics. For both examples, multimodality was previously not reported.

A master equation and moment approach for biochemical systems with creation-time-dependent bimolecular rate functions

PubMed Central

Chevalier, Michael W.; El-Samad, Hana

2014-01-01

Noise and stochasticity are fundamental to biology and derive from the very nature of biochemical reactions where thermal motion of molecules translates into randomness in the sequence and timing of reactions. This randomness leads to cell-to-cell variability even in clonal populations. Stochastic biochemical networks have been traditionally modeled as continuous-time discrete-state Markov processes whose probability density functions evolve according to a chemical master equation (CME). In diffusion reaction systems on membranes, the Markov formalism, which assumes constant reaction propensities is not directly appropriate. This is because the instantaneous propensity for a diffusion reaction to occur depends on the creation times of the molecules involved. In this work, we develop a chemical master equation for systems of this type. While this new CME is computationally intractable, we make rational dimensional reductions to form an approximate equation, whose moments are also derived and are shown to yield efficient, accurate results. This new framework forms a more general approach than the Markov CME and expands upon the realm of possible stochastic biochemical systems that can be efficiently modeled. PMID:25481130

A master equation and moment approach for biochemical systems with creation-time-dependent bimolecular rate functions

NASA Astrophysics Data System (ADS)

Chevalier, Michael W.; El-Samad, Hana

2014-12-01

Noise and stochasticity are fundamental to biology and derive from the very nature of biochemical reactions where thermal motion of molecules translates into randomness in the sequence and timing of reactions. This randomness leads to cell-to-cell variability even in clonal populations. Stochastic biochemical networks have been traditionally modeled as continuous-time discrete-state Markov processes whose probability density functions evolve according to a chemical master equation (CME). In diffusion reaction systems on membranes, the Markov formalism, which assumes constant reaction propensities is not directly appropriate. This is because the instantaneous propensity for a diffusion reaction to occur depends on the creation times of the molecules involved. In this work, we develop a chemical master equation for systems of this type. While this new CME is computationally intractable, we make rational dimensional reductions to form an approximate equation, whose moments are also derived and are shown to yield efficient, accurate results. This new framework forms a more general approach than the Markov CME and expands upon the realm of possible stochastic biochemical systems that can be efficiently modeled.

Lévy targeting and the principle of detailed balance.

PubMed

Garbaczewski, Piotr; Stephanovich, Vladimir

2011-07-01

We investigate confining mechanisms for Lévy flights under premises of the principle of detailed balance. In this case, the master equation of the jump-type process admits a transformation to the Lévy-Schrödinger semigroup dynamics akin to a mapping of the Fokker-Planck equation into the generalized diffusion equation. This sets a correspondence between above two stochastic dynamical systems, within which we address a (stochastic) targeting problem for an arbitrary stability index μ ε (0,2) of symmetric Lévy drivers. Namely, given a probability density function, specify the semigroup potential, and thence the jump-type dynamics for which this PDF is actually a long-time asymptotic (target) solution of the master equation. Here, an asymptotic behavior of different μ-motion scenarios ceases to depend on μ. That is exemplified by considering Gaussian and Cauchy family target PDFs. A complementary problem of the reverse engineering is analyzed: given a priori a semigroup potential, quantify how sensitive upon the choice of the μ driver is an asymptotic behavior of solutions of the associated master equation and thus an invariant PDF itself. This task is accomplished for so-called μ family of Lévy oscillators.

Solving differential equations for Feynman integrals by expansions near singular points

NASA Astrophysics Data System (ADS)

Lee, Roman N.; Smirnov, Alexander V.; Smirnov, Vladimir A.

2018-03-01

We describe a strategy to solve differential equations for Feynman integrals by powers series expansions near singular points and to obtain high precision results for the corresponding master integrals. We consider Feynman integrals with two scales, i.e. non-trivially depending on one variable. The corresponding algorithm is oriented at situations where canonical form of the differential equations is impossible. We provide a computer code constructed with the help of our algorithm for a simple example of four-loop generalized sunset integrals with three equal non-zero masses and two zero masses. Our code gives values of the master integrals at any given point on the real axis with a required accuracy and a given order of expansion in the regularization parameter ɛ.

Construction and accuracy of partial differential equation approximations to the chemical master equation.

PubMed

Grima, Ramon

2011-11-01

The mesoscopic description of chemical kinetics, the chemical master equation, can be exactly solved in only a few simple cases. The analytical intractability stems from the discrete character of the equation, and hence considerable effort has been invested in the development of Fokker-Planck equations, second-order partial differential equation approximations to the master equation. We here consider two different types of higher-order partial differential approximations, one derived from the system-size expansion and the other from the Kramers-Moyal expansion, and derive the accuracy of their predictions for chemical reactive networks composed of arbitrary numbers of unimolecular and bimolecular reactions. In particular, we show that the partial differential equation approximation of order Q from the Kramers-Moyal expansion leads to estimates of the mean number of molecules accurate to order Ω(-(2Q-3)/2), of the variance of the fluctuations in the number of molecules accurate to order Ω(-(2Q-5)/2), and of skewness accurate to order Ω(-(Q-2)). We also show that for large Q, the accuracy in the estimates can be matched only by a partial differential equation approximation from the system-size expansion of approximate order 2Q. Hence, we conclude that partial differential approximations based on the Kramers-Moyal expansion generally lead to considerably more accurate estimates in the mean, variance, and skewness than approximations of the same order derived from the system-size expansion.

Production of a sterile species: Quantum kinetics

NASA Astrophysics Data System (ADS)

Boyanovsky, D.; Ho, C. M.

2007-10-01

Production of a sterile species is studied within an effective model of active-sterile neutrino mixing in a medium in thermal equilibrium. The quantum kinetic equations for the distribution functions and coherences are obtained from two independent methods: the effective action and the quantum master equation. The decoherence time scale for active-sterile oscillations is τdec=2/Γaa, but the evolution of the distribution functions is determined by the two different time scales associated with the damping rates of the quasiparticle modes in the medium: Γ1=Γaacos⁡2θm; Γ2=Γaasin⁡2θm where Γaa is the interaction rate of the active species in the absence of mixing and θm the mixing angle in the medium. These two time scales are widely different away from Mikheyev-Smirnov-Wolfenstein resonances and preclude the kinetic description of active-sterile production in terms of a simple rate equation. We give the complete set of quantum kinetic equations for the active and sterile populations and coherences and discuss in detail the various approximations. A generalization of the active-sterile transition probability in a medium is provided via the quantum master equation. We derive explicitly the usual quantum kinetic equations in terms of the “polarization vector” and show their equivalence to those obtained from the quantum master equation and effective action.

Markovian master equations for quantum thermal machines: local versus global approach

NASA Astrophysics Data System (ADS)

Hofer, Patrick P.; Perarnau-Llobet, Martí; Miranda, L. David M.; Haack, Géraldine; Silva, Ralph; Bohr Brask, Jonatan; Brunner, Nicolas

2017-12-01

The study of quantum thermal machines, and more generally of open quantum systems, often relies on master equations. Two approaches are mainly followed. On the one hand, there is the widely used, but often criticized, local approach, where machine sub-systems locally couple to thermal baths. On the other hand, in the more established global approach, thermal baths couple to global degrees of freedom of the machine. There has been debate as to which of these two conceptually different approaches should be used in situations out of thermal equilibrium. Here we compare the local and global approaches against an exact solution for a particular class of thermal machines. We consider thermodynamically relevant observables, such as heat currents, as well as the quantum state of the machine. Our results show that the use of a local master equation is generally well justified. In particular, for weak inter-system coupling, the local approach agrees with the exact solution, whereas the global approach fails for non-equilibrium situations. For intermediate coupling, the local and the global approach both agree with the exact solution and for strong coupling, the global approach is preferable. These results are backed by detailed derivations of the regimes of validity for the respective approaches.

Breakdown of the reaction-diffusion master equation with nonelementary rates

NASA Astrophysics Data System (ADS)

Smith, Stephen; Grima, Ramon

2016-05-01

The chemical master equation (CME) is the exact mathematical formulation of chemical reactions occurring in a dilute and well-mixed volume. The reaction-diffusion master equation (RDME) is a stochastic description of reaction-diffusion processes on a spatial lattice, assuming well mixing only on the length scale of the lattice. It is clear that, for the sake of consistency, the solution of the RDME of a chemical system should converge to the solution of the CME of the same system in the limit of fast diffusion: Indeed, this has been tacitly assumed in most literature concerning the RDME. We show that, in the limit of fast diffusion, the RDME indeed converges to a master equation but not necessarily the CME. We introduce a class of propensity functions, such that if the RDME has propensities exclusively of this class, then the RDME converges to the CME of the same system, whereas if the RDME has propensities not in this class, then convergence is not guaranteed. These are revealed to be elementary and nonelementary propensities, respectively. We also show that independent of the type of propensity, the RDME converges to the CME in the simultaneous limit of fast diffusion and large volumes. We illustrate our results with some simple example systems and argue that the RDME cannot generally be an accurate description of systems with nonelementary rates.

Entrainment in the master equation.

PubMed

Margaliot, Michael; Grüne, Lars; Kriecherbauer, Thomas

2018-04-01

The master equation plays an important role in many scientific fields including physics, chemistry, systems biology, physical finance and sociodynamics. We consider the master equation with periodic transition rates. This may represent an external periodic excitation like the 24 h solar day in biological systems or periodic traffic lights in a model of vehicular traffic. Using tools from systems and control theory, we prove that under mild technical conditions every solution of the master equation converges to a periodic solution with the same period as the rates. In other words, the master equation entrains (or phase locks) to periodic excitations. We describe two applications of our theoretical results to important models from statistical mechanics and epidemiology.

Entrainment in the master equation

PubMed Central

Grüne, Lars; Kriecherbauer, Thomas

2018-01-01

The master equation plays an important role in many scientific fields including physics, chemistry, systems biology, physical finance and sociodynamics. We consider the master equation with periodic transition rates. This may represent an external periodic excitation like the 24 h solar day in biological systems or periodic traffic lights in a model of vehicular traffic. Using tools from systems and control theory, we prove that under mild technical conditions every solution of the master equation converges to a periodic solution with the same period as the rates. In other words, the master equation entrains (or phase locks) to periodic excitations. We describe two applications of our theoretical results to important models from statistical mechanics and epidemiology. PMID:29765669

Accuracy of perturbative master equations.

PubMed

Fleming, C H; Cummings, N I

2011-03-01

We consider open quantum systems with dynamics described by master equations that have perturbative expansions in the system-environment interaction. We show that, contrary to intuition, full-time solutions of order-2n accuracy require an order-(2n+2) master equation. We give two examples of such inaccuracies in the solutions to an order-2n master equation: order-2n inaccuracies in the steady state of the system and order-2n positivity violations. We show how these arise in a specific example for which exact solutions are available. This result has a wide-ranging impact on the validity of coupling (or friction) sensitive results derived from second-order convolutionless, Nakajima-Zwanzig, Redfield, and Born-Markov master equations.

Diffusion approximations to the chemical master equation only have a consistent stochastic thermodynamics at chemical equilibrium

NASA Astrophysics Data System (ADS)

Horowitz, Jordan M.

2015-07-01

The stochastic thermodynamics of a dilute, well-stirred mixture of chemically reacting species is built on the stochastic trajectories of reaction events obtained from the chemical master equation. However, when the molecular populations are large, the discrete chemical master equation can be approximated with a continuous diffusion process, like the chemical Langevin equation or low noise approximation. In this paper, we investigate to what extent these diffusion approximations inherit the stochastic thermodynamics of the chemical master equation. We find that a stochastic-thermodynamic description is only valid at a detailed-balanced, equilibrium steady state. Away from equilibrium, where there is no consistent stochastic thermodynamics, we show that one can still use the diffusive solutions to approximate the underlying thermodynamics of the chemical master equation.

Diffusion approximations to the chemical master equation only have a consistent stochastic thermodynamics at chemical equilibrium.

PubMed

Horowitz, Jordan M

2015-07-28

The stochastic thermodynamics of a dilute, well-stirred mixture of chemically reacting species is built on the stochastic trajectories of reaction events obtained from the chemical master equation. However, when the molecular populations are large, the discrete chemical master equation can be approximated with a continuous diffusion process, like the chemical Langevin equation or low noise approximation. In this paper, we investigate to what extent these diffusion approximations inherit the stochastic thermodynamics of the chemical master equation. We find that a stochastic-thermodynamic description is only valid at a detailed-balanced, equilibrium steady state. Away from equilibrium, where there is no consistent stochastic thermodynamics, we show that one can still use the diffusive solutions to approximate the underlying thermodynamics of the chemical master equation.

Master equation for open two-band systems and its applications to Hall conductance

NASA Astrophysics Data System (ADS)

Shen, H. Z.; Zhang, S. S.; Dai, C. M.; Yi, X. X.

2018-02-01

Hall conductivity in the presence of a dephasing environment has recently been investigated with a dissipative term introduced phenomenologically. In this paper, we study the dissipative topological insulator (TI) and its topological transition in the presence of quantized electromagnetic environments. A Lindblad-type equation is derived to determine the dynamics of a two-band system. When the two-band model describes TIs, the environment may be the fluctuations of radiation that surround the TIs. We find the dependence of decay rates in the master equation on Bloch vectors in the two-band system, which leads to a mixing of the band occupations. Hence the environment-induced current is in general not perfectly topological in the presence of coupling to the environment, although deviations are small in the weak limit. As an illustration, we apply the Bloch-vector-dependent master equation to TIs and calculate the Hall conductance of tight-binding electrons in a two-dimensional lattice. The influence of environments on the Hall conductance is presented and discussed. The calculations show that the phase transition points of the TIs are robust against the quantized electromagnetic environment. The results might bridge the gap between quantum optics and topological photonic materials.

A master equation and moment approach for biochemical systems with creation-time-dependent bimolecular rate functions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chevalier, Michael W., E-mail: Michael.Chevalier@ucsf.edu; El-Samad, Hana, E-mail: Hana.El-Samad@ucsf.edu

Noise and stochasticity are fundamental to biology and derive from the very nature of biochemical reactions where thermal motion of molecules translates into randomness in the sequence and timing of reactions. This randomness leads to cell-to-cell variability even in clonal populations. Stochastic biochemical networks have been traditionally modeled as continuous-time discrete-state Markov processes whose probability density functions evolve according to a chemical master equation (CME). In diffusion reaction systems on membranes, the Markov formalism, which assumes constant reaction propensities is not directly appropriate. This is because the instantaneous propensity for a diffusion reaction to occur depends on the creation timesmore » of the molecules involved. In this work, we develop a chemical master equation for systems of this type. While this new CME is computationally intractable, we make rational dimensional reductions to form an approximate equation, whose moments are also derived and are shown to yield efficient, accurate results. This new framework forms a more general approach than the Markov CME and expands upon the realm of possible stochastic biochemical systems that can be efficiently modeled.« less

Generalized Scaling and the Master Variable for Brownian Magnetic Nanoparticle Dynamics

PubMed Central

Reeves, Daniel B.; Shi, Yipeng; Weaver, John B.

2016-01-01

Understanding the dynamics of magnetic particles can help to advance several biomedical nanotechnologies. Previously, scaling relationships have been used in magnetic spectroscopy of nanoparticle Brownian motion (MSB) to measure biologically relevant properties (e.g., temperature, viscosity, bound state) surrounding nanoparticles in vivo. Those scaling relationships can be generalized with the introduction of a master variable found from non-dimensionalizing the dynamical Langevin equation. The variable encapsulates the dynamical variables of the surroundings and additionally includes the particles’ size distribution and moment and the applied field’s amplitude and frequency. From an applied perspective, the master variable allows tuning to an optimal MSB biosensing sensitivity range by manipulating both frequency and field amplitude. Calculation of magnetization harmonics in an oscillating applied field is also possible with an approximate closed-form solution in terms of the master variable and a single free parameter. PMID:26959493

A master equation for strongly interacting dipoles

NASA Astrophysics Data System (ADS)

Stokes, Adam; Nazir, Ahsan

2018-04-01

We consider a pair of dipoles such as Rydberg atoms for which direct electrostatic dipole–dipole interactions may be significantly larger than the coupling to transverse radiation. We derive a master equation using the Coulomb gauge, which naturally enables us to include the inter-dipole Coulomb energy within the system Hamiltonian rather than the interaction. In contrast, the standard master equation for a two-dipole system, which depends entirely on well-known gauge-invariant S-matrix elements, is usually derived using the multipolar gauge, wherein there is no explicit inter-dipole Coulomb interaction. We show using a generalised arbitrary-gauge light-matter Hamiltonian that this master equation is obtained in other gauges only if the inter-dipole Coulomb interaction is kept within the interaction Hamiltonian rather than the unperturbed part as in our derivation. Thus, our master equation depends on different S-matrix elements, which give separation-dependent corrections to the standard matrix elements describing resonant energy transfer and collective decay. The two master equations coincide in the large separation limit where static couplings are negligible. We provide an application of our master equation by finding separation-dependent corrections to the natural emission spectrum of the two-dipole system.

Diffusion approximations to the chemical master equation only have a consistent stochastic thermodynamics at chemical equilibrium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Horowitz, Jordan M., E-mail: jordan.horowitz@umb.edu

The stochastic thermodynamics of a dilute, well-stirred mixture of chemically reacting species is built on the stochastic trajectories of reaction events obtained from the chemical master equation. However, when the molecular populations are large, the discrete chemical master equation can be approximated with a continuous diffusion process, like the chemical Langevin equation or low noise approximation. In this paper, we investigate to what extent these diffusion approximations inherit the stochastic thermodynamics of the chemical master equation. We find that a stochastic-thermodynamic description is only valid at a detailed-balanced, equilibrium steady state. Away from equilibrium, where there is no consistent stochasticmore » thermodynamics, we show that one can still use the diffusive solutions to approximate the underlying thermodynamics of the chemical master equation.« less

Decoherence and dissipation for a quantum system coupled to a local environment

NASA Technical Reports Server (NTRS)

Gallis, Michael R.

1994-01-01

Decoherence and dissipation in quantum systems has been studied extensively in the context of Quantum Brownian Motion. Effective decoherence in coarse grained quantum systems has been a central issue in recent efforts by Zurek and by Hartle and Gell-Mann to address the Quantum Measurement Problem. Although these models can yield very general classical phenomenology, they are incapable of reproducing relevant characteristics expected of a local environment on a quantum system, such as the characteristic dependence of decoherence on environment spatial correlations. I discuss the characteristics of Quantum Brownian Motion in a local environment by examining aspects of first principle calculations and by the construction of phenomenological models. Effective quantum Langevin equations and master equations are presented in a variety of representations. Comparisons are made with standard results such as the Caldeira-Leggett master equation.

Non-Markovian stochastic Schrödinger equations: Generalization to real-valued noise using quantum-measurement theory

NASA Astrophysics Data System (ADS)

Gambetta, Jay; Wiseman, H. M.

2002-07-01

Do stochastic Schrödinger equations, also known as unravelings, have a physical interpretation? In the Markovian limit, where the system on average obeys a master equation, the answer is yes. Markovian stochastic Schrödinger equations generate quantum trajectories for the system state conditioned on continuously monitoring the bath. For a given master equation, there are many different unravelings, corresponding to different sorts of measurement on the bath. In this paper we address the non-Markovian case, and in particular the sort of stochastic Schrödinger equation introduced by Strunz, Diósi, and Gisin [Phys. Rev. Lett. 82, 1801 (1999)]. Using a quantum-measurement theory approach, we rederive their unraveling that involves complex-valued Gaussian noise. We also derive an unraveling involving real-valued Gaussian noise. We show that in the Markovian limit, these two unravelings correspond to heterodyne and homodyne detection, respectively. Although we use quantum-measurement theory to define these unravelings, we conclude that the stochastic evolution of the system state is not a true quantum trajectory, as the identity of the state through time is a fiction.

Graph theory and the Virasoro master equation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Obers, N.A.J.

1991-04-01

A brief history of affine Lie algebra, the Virasoro algebra and its culmination in the Virasoro master equations is given. By studying ansaetze of the master equation, we obtain exact solutions and gain insight in the structure of large slices of affine-Virasoro space. We find an isomorphism between the constructions in the ansatz SO(n){sub diag}, which is a set of unitary, generically irrational affine-Virasoro constructions on SO(n), and the unlabelled graphs, while, conversely, a group-theoretic and conformal field-theoretic identification is obtained for every graph of graph theory. We also define a class of magic'' Lie group bases in which themore » Virasoro master equation admits a simple metric ansatz (gmetric), whose structure is visible in the high-level expansion. When a magic basis is real on compact g, the corresponding g{sub metric} is a large system of unitary, generically irrational conformal field theories. Examples in this class include the graph-theory ansatz SO(n){sub diag} in the Cartesian basis of SO(n), and the ansatz SU(n){sub metric} in the Pauli-like basis of SU(n). Finally, we define the sine-area graphs'' of SU(n), which label the conformal field theories of SU(n){sub metric}, and we note that, in similar fashion, each magic basis of g defines a generalized graph theory on g which labels the conformal field theories of g{sub metric}. 24 figs., 4 tabs.« less

Generalized master equation via aging continuous-time random walks.

PubMed

Allegrini, Paolo; Aquino, Gerardo; Grigolini, Paolo; Palatella, Luigi; Rosa, Angelo

2003-11-01

We discuss the problem of the equivalence between continuous-time random walk (CTRW) and generalized master equation (GME). The walker, making instantaneous jumps from one site of the lattice to another, resides in each site for extended times. The sojourn times have a distribution density psi(t) that is assumed to be an inverse power law with the power index micro. We assume that the Onsager principle is fulfilled, and we use this assumption to establish a complete equivalence between GME and the Montroll-Weiss CTRW. We prove that this equivalence is confined to the case where psi(t) is an exponential. We argue that is so because the Montroll-Weiss CTRW, as recently proved by Barkai [E. Barkai, Phys. Rev. Lett. 90, 104101 (2003)], is nonstationary, thereby implying aging, while the Onsager principle is valid only in the case of fully aged systems. The case of a Poisson distribution of sojourn times is the only one with no aging associated to it, and consequently with no need to establish special initial conditions to fulfill the Onsager principle. We consider the case of a dichotomous fluctuation, and we prove that the Onsager principle is fulfilled for any form of regression to equilibrium provided that the stationary condition holds true. We set the stationary condition on both the CTRW and the GME, thereby creating a condition of total equivalence, regardless of the nature of the waiting-time distribution. As a consequence of this procedure we create a GME that is a bona fide master equation, in spite of being non-Markov. We note that the memory kernel of the GME affords information on the interaction between system of interest and its bath. The Poisson case yields a bath with infinitely fast fluctuations. We argue that departing from the Poisson form has the effect of creating a condition of infinite memory and that these results might be useful to shed light on the problem of how to unravel non-Markov quantum master equations.

Exact solution of the hidden Markov processes.

PubMed

Saakian, David B

2017-11-01

We write a master equation for the distributions related to hidden Markov processes (HMPs) and solve it using a functional equation. Thus the solution of HMPs is mapped exactly to the solution of the functional equation. For a general case the latter can be solved only numerically. We derive an exact expression for the entropy of HMPs. Our expression for the entropy is an alternative to the ones given before by the solution of integral equations. The exact solution is possible because actually the model can be considered as a generalized random walk on a one-dimensional strip. While we give the solution for the two second-order matrices, our solution can be easily generalized for the L values of the Markov process and M values of observables: We should be able to solve a system of L functional equations in the space of dimension M-1.

Exact solution of the hidden Markov processes

NASA Astrophysics Data System (ADS)

Saakian, David B.

2017-11-01

We write a master equation for the distributions related to hidden Markov processes (HMPs) and solve it using a functional equation. Thus the solution of HMPs is mapped exactly to the solution of the functional equation. For a general case the latter can be solved only numerically. We derive an exact expression for the entropy of HMPs. Our expression for the entropy is an alternative to the ones given before by the solution of integral equations. The exact solution is possible because actually the model can be considered as a generalized random walk on a one-dimensional strip. While we give the solution for the two second-order matrices, our solution can be easily generalized for the L values of the Markov process and M values of observables: We should be able to solve a system of L functional equations in the space of dimension M -1 .

Canonical form of master equations and characterization of non-Markovianity

NASA Astrophysics Data System (ADS)

Hall, Michael J. W.; Cresser, James D.; Li, Li; Andersson, Erika

2014-04-01

Master equations govern the time evolution of a quantum system interacting with an environment, and may be written in a variety of forms. Time-independent or memoryless master equations, in particular, can be cast in the well-known Lindblad form. Any time-local master equation, Markovian or non-Markovian, may in fact also be written in a Lindblad-like form. A diagonalization procedure results in a unique, and in this sense canonical, representation of the equation, which may be used to fully characterize the non-Markovianity of the time evolution. Recently, several different measures of non-Markovianity have been presented which reflect, to varying degrees, the appearance of negative decoherence rates in the Lindblad-like form of the master equation. We therefore propose using the negative decoherence rates themselves, as they appear in the canonical form of the master equation, to completely characterize non-Markovianity. The advantages of this are especially apparent when more than one decoherence channel is present. We show that a measure proposed by Rivas et al. [Phys. Rev. Lett. 105, 050403 (2010), 10.1103/PhysRevLett.105.050403] is a surprisingly simple function of the canonical decoherence rates, and give an example of a master equation that is non-Markovian for all times t >0, but to which nearly all proposed measures are blind. We also give necessary and sufficient conditions for trace distance and volume measures to witness non-Markovianity, in terms of the Bloch damping matrix.

Simulation of quantum dynamics based on the quantum stochastic differential equation.

PubMed

Li, Ming

2013-01-01

The quantum stochastic differential equation derived from the Lindblad form quantum master equation is investigated. The general formulation in terms of environment operators representing the quantum state diffusion is given. The numerical simulation algorithm of stochastic process of direct photodetection of a driven two-level system for the predictions of the dynamical behavior is proposed. The effectiveness and superiority of the algorithm are verified by the performance analysis of the accuracy and the computational cost in comparison with the classical Runge-Kutta algorithm.

Master equation with quantized atomic motion including dipole-dipole interactions

NASA Astrophysics Data System (ADS)

Damanet, François; Braun, Daniel; Martin, John

2016-05-01

We derive a markovian master equation for the internal dynamics of an ensemble of two-level atoms including all effects related to the quantization of their motion. Our equation provides a unifying picture of the consequences of recoil and indistinguishability of atoms beyond the Lamb-Dicke regime on both their dissipative and conservative dynamics, and is relevant for experiments with ultracold trapped atoms. We give general expressions for the decay rates and the dipole-dipole shifts for any motional states, and we find analytical formulas for a number of relevant states (Gaussian states, Fock states and thermal states). In particular, we show that the dipole-dipole interactions and cooperative photon emission can be modulated through the external state of motion. The effects predicted should be experimentally observable with Rydberg atoms. FD would like to thank the F.R.S.-FNRS for financial support. FD is a FRIA Grant holder of the Fonds de la Recherche Scientifique-FNRS.

Non-Archimedean reaction-ultradiffusion equations and complex hierarchic systems

NASA Astrophysics Data System (ADS)

Zúñiga-Galindo, W. A.

2018-06-01

We initiate the study of non-Archimedean reaction-ultradiffusion equations and their connections with models of complex hierarchic systems. From a mathematical perspective, the equations studied here are the p-adic counterpart of the integro-differential models for phase separation introduced by Bates and Chmaj. Our equations are also generalizations of the ultradiffusion equations on trees studied in the 1980s by Ogielski, Stein, Bachas, Huberman, among others, and also generalizations of the master equations of the Avetisov et al models, which describe certain complex hierarchic systems. From a physical perspective, our equations are gradient flows of non-Archimedean free energy functionals and their solutions describe the macroscopic density profile of a bistable material whose space of states has an ultrametric structure. Some of our results are p-adic analogs of some well-known results in the Archimedean setting, however, the mechanism of diffusion is completely different due to the fact that it occurs in an ultrametric space.

On the computer analysis of structures and mechanical systems

NASA Technical Reports Server (NTRS)

Bennett, B. E.

1984-01-01

The governing equations for the analysis of open branch-chain mechanical systems are developed in a form suitable for implementation in a general purpose finite element computer program. Lagrange's form of d'Alembert's principle is used to derive the system mass matrix and force vector. The generalized coordinates are selected as the unconstrained relative degrees of freedom giving the position and orientation of each slave link with respect to their master link. Each slave link may have from zero to six degrees of freedom relative to the reference frames of its master link. A strategy for automatic generation of the system mass matrix and force vector is described.

Model reduction for stochastic chemical systems with abundant species.

PubMed

Smith, Stephen; Cianci, Claudia; Grima, Ramon

2015-12-07

Biochemical processes typically involve many chemical species, some in abundance and some in low molecule numbers. We first identify the rate constant limits under which the concentrations of a given set of species will tend to infinity (the abundant species) while the concentrations of all other species remains constant (the non-abundant species). Subsequently, we prove that, in this limit, the fluctuations in the molecule numbers of non-abundant species are accurately described by a hybrid stochastic description consisting of a chemical master equation coupled to deterministic rate equations. This is a reduced description when compared to the conventional chemical master equation which describes the fluctuations in both abundant and non-abundant species. We show that the reduced master equation can be solved exactly for a number of biochemical networks involving gene expression and enzyme catalysis, whose conventional chemical master equation description is analytically impenetrable. We use the linear noise approximation to obtain approximate expressions for the difference between the variance of fluctuations in the non-abundant species as predicted by the hybrid approach and by the conventional chemical master equation. Furthermore, we show that surprisingly, irrespective of any separation in the mean molecule numbers of various species, the conventional and hybrid master equations exactly agree for a class of chemical systems.

Graph theory and the Virasoro master equation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Obers, N.A.J.

1991-01-01

A brief history of affine Lie algebra, the Virasoro algebra and its culmination in the Virasoro master equation is given. By studying ansaetze of the master equation, the author obtains exact solutions and gains insight in the structure of large slices of affine-Virasoro space. He finds an isomorphism between the constructions in the ansatz SO(n){sub diag}, which is a set of unitary, generically irrational affine-Virasoro constructions on SO(n), and the unlabeled graphs of order n. On the one hand, the conformal constructions, are classified by the graphs, while, conversely, a group-theoretic and conformal field-theoretic identification is obtained for every graphmore » of graph theory. He also defines a class of magic Lie group bases in which the Virasoro master equation admits a simple metric ansatz {l brace}g{sub metric}{r brace}, whose structure is visible in the high-level expansion. When a magic basis is real on compact g, the corresponding g{sub metric} is a large system of unitary, generically irrational conformal field theories. Examples in this class include the graph-theory ansatz SO(n){sub diag} in the Cartesian basis of SO(n), and the ansatz SU(n){sub metric} in the Pauli-like basis of SU(n). Finally, he defines the sine-area graphs' of SU(n), which label the conformal field theories of SU(n){sub metric}, and he notes that, in similar fashion, each magic basis of g defines a generalized graph theory on g which labels the conformal field theories of g{sub metric}.« less

Non-Markovian dynamics of open quantum systems

NASA Astrophysics Data System (ADS)

Fleming, Chris H.

An open quantum system is a quantum system that interacts with some environment whose degrees of freedom have been coarse grained away. This model describes non-equilibrium processes more general than scattering-matrix formulations. Furthermore, the microscopically-derived environment provides a model of noise, dissipation and decoherence far more general than Markovian (white noise) models. The latter are fully characterized by Lindblad equations and can be motivated phenomenologically. Non-Markovian processes consistently account for backreaction with the environment and can incorporate effects such as finite temperature and spatial correlations. We consider linear systems with bilinear coupling to the environment, or quantum Brownian motion, and nonlinear systems with weak coupling to the environment. For linear systems we provide exact solutions with analytical results for a variety of spectral densities. Furthermore, we point out an important mathematical subtlety which led to incorrect master-equation coefficients in earlier derivations, given nonlocal dissipation. For nonlinear systems we provide perturbative solutions by translating the formalism of canonical perturbation theory into the context of master equations. It is shown that unavoidable degeneracy causes an unfortunate reduction in accuracy between perturbative master equations and their solutions. We also extend the famous theorem of Lindblad, Gorini, Kossakowski and Sudarshan on completely positivity to non-Markovian master equations. Our application is primarily to model atoms interacting via a common electromagnetic field. The electromagnetic field contains correlations in both space and time, which are related to its relativistic (photon-mediated) nature. As such, atoms residing in the same field experience different environmental effects depending upon their relative position and orientation. Our more accurate solutions were necessary to assess sudden death of entanglement at zero temperature. In contrast to previous claims, we found that all initial states of two-level atoms undergo finite-time disentanglement. We were also able to access regimes which cannot be described by Lindblad equations and other simpler methods, such as near resonance. Finally we revisit the infamous Abraham-Lorentz force, wherein a single particle in motion experiences backreaction from the electromagnetic field. This leads to a number of well-known problems including pre-acceleration and runaway solutions. We found a more a more-suitable open-system treatment of the nonrelativistic particle to be perfectly causal and dissipative without any extraneous requirements for finite size of the particle, weak coupling to the field, etc..

Modular operads and the quantum open-closed homotopy algebra

NASA Astrophysics Data System (ADS)

Doubek, Martin; Jurčo, Branislav; Münster, Korbinian

2015-12-01

We verify that certain algebras appearing in string field theory are algebras over Feynman transform of modular operads which we describe explicitly. Equivalent description in terms of solutions of generalized BV master equations are explained from the operadic point of view.

Quantum harmonic oscillator in a thermal bath

NASA Technical Reports Server (NTRS)

Zhang, Yuhong

1993-01-01

The influence functional path-integral treatment of quantum Brownian motion is briefly reviewed. A newly derived exact master equation of a quantum harmonic oscillator coupled to a general environment at arbitrary temperature is discussed. It is applied to the problem of loss of quantum coherence.

Model reduction for stochastic chemical systems with abundant species

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, Stephen; Cianci, Claudia; Grima, Ramon

2015-12-07

Biochemical processes typically involve many chemical species, some in abundance and some in low molecule numbers. We first identify the rate constant limits under which the concentrations of a given set of species will tend to infinity (the abundant species) while the concentrations of all other species remains constant (the non-abundant species). Subsequently, we prove that, in this limit, the fluctuations in the molecule numbers of non-abundant species are accurately described by a hybrid stochastic description consisting of a chemical master equation coupled to deterministic rate equations. This is a reduced description when compared to the conventional chemical master equationmore » which describes the fluctuations in both abundant and non-abundant species. We show that the reduced master equation can be solved exactly for a number of biochemical networks involving gene expression and enzyme catalysis, whose conventional chemical master equation description is analytically impenetrable. We use the linear noise approximation to obtain approximate expressions for the difference between the variance of fluctuations in the non-abundant species as predicted by the hybrid approach and by the conventional chemical master equation. Furthermore, we show that surprisingly, irrespective of any separation in the mean molecule numbers of various species, the conventional and hybrid master equations exactly agree for a class of chemical systems.« less

On the origins of approximations for stochastic chemical kinetics.

PubMed

Haseltine, Eric L; Rawlings, James B

2005-10-22

This paper considers the derivation of approximations for stochastic chemical kinetics governed by the discrete master equation. Here, the concepts of (1) partitioning on the basis of fast and slow reactions as opposed to fast and slow species and (2) conditional probability densities are used to derive approximate, partitioned master equations, which are Markovian in nature, from the original master equation. Under different conditions dictated by relaxation time arguments, such approximations give rise to both the equilibrium and hybrid (deterministic or Langevin equations coupled with discrete stochastic simulation) approximations previously reported. In addition, the derivation points out several weaknesses in previous justifications of both the hybrid and equilibrium systems and demonstrates the connection between the original and approximate master equations. Two simple examples illustrate situations in which these two approximate methods are applicable and demonstrate the two methods' efficiencies.

Derivation of Hodgkin-Huxley equations for a Na+ channel from a master equation for coupled activation and inactivation

NASA Astrophysics Data System (ADS)

Vaccaro, S. R.

2016-11-01

The Na+ current in nerve and muscle membranes may be described in terms of the activation variable m (t ) and the inactivation variable h (t ) , which are dependent on the transitions of S4 sensors of each of the Na+ channel domains DI to DIV. The time-dependence of the Na+ current and the rate equations satisfied by m (t ) and h (t ) may be derived from the solution to a master equation that describes the coupling between two or three activation sensors regulating the Na+ channel conductance and a two-stage inactivation process. If the inactivation rate from the closed or open states increases as the S4 sensors activate, a more general form of the Hodgkin-Huxley expression for the open-state probability may be derived where m (t ) is dependent on both activation and inactivation processes. The voltage dependence of the rate functions for inactivation and recovery from inactivation are consistent with the empirically determined expressions and exhibit saturation for both depolarized and hyperpolarized clamp potentials.

Exact master equation and non-Markovian decoherence dynamics of Majorana zero modes under gate-induced charge fluctuations

NASA Astrophysics Data System (ADS)

Lai, Hon-Lam; Yang, Pei-Yun; Huang, Yu-Wei; Zhang, Wei-Min

2018-02-01

In this paper, we use the exact master equation approach to investigate the decoherence dynamics of Majorana zero modes in the Kitaev model, a 1D p -wave spinless topological superconducting chain (TSC) that is disturbed by gate-induced charge fluctuations. The exact master equation is derived by extending Feynman-Vernon influence functional technique to fermionic open systems involving pairing excitations. We obtain the exact master equation for the zero-energy Bogoliubov quasiparticle (bogoliubon) in the TSC, and then transfer it into the master equation for the Majorana zero modes. Within this exact master equation formalism, we can describe in detail the non-Markovian decoherence dynamics of the zero-energy bogoliubon as well as Majorana zero modes under local perturbations. We find that at zero temperature, local charge fluctuations induce level broadening to one of the Majorana zero modes but there is an isolated peak (localized bound state) located at zero energy that partially protects the Majorana zero mode from decoherence. At finite temperatures, the zero-energy localized bound state does not precisely exist, but the coherence of the Majorana zero mode can still be partially but weakly protected, due to the sharp dip of the spectral density near the zero frequency. The decoherence will be enhanced as one increases the charge fluctuations and/or the temperature of the gate.

Nonlinear subdiffusive fractional equations and the aggregation phenomenon.

PubMed

Fedotov, Sergei

2013-09-01

In this article we address the problem of the nonlinear interaction of subdiffusive particles. We introduce the random walk model in which statistical characteristics of a random walker such as escape rate and jump distribution depend on the mean density of particles. We derive a set of nonlinear subdiffusive fractional master equations and consider their diffusion approximations. We show that these equations describe the transition from an intermediate subdiffusive regime to asymptotically normal advection-diffusion transport regime. This transition is governed by nonlinear tempering parameter that generalizes the standard linear tempering. We illustrate the general results through the use of the examples from cell and population biology. We find that a nonuniform anomalous exponent has a strong influence on the aggregation phenomenon.

Linear and nonlinear spectroscopy from quantum master equations.

PubMed

Fetherolf, Jonathan H; Berkelbach, Timothy C

2017-12-28

We investigate the accuracy of the second-order time-convolutionless (TCL2) quantum master equation for the calculation of linear and nonlinear spectroscopies of multichromophore systems. We show that even for systems with non-adiabatic coupling, the TCL2 master equation predicts linear absorption spectra that are accurate over an extremely broad range of parameters and well beyond what would be expected based on the perturbative nature of the approach; non-equilibrium population dynamics calculated with TCL2 for identical parameters are significantly less accurate. For third-order (two-dimensional) spectroscopy, the importance of population dynamics and the violation of the so-called quantum regression theorem degrade the accuracy of TCL2 dynamics. To correct these failures, we combine the TCL2 approach with a classical ensemble sampling of slow microscopic bath degrees of freedom, leading to an efficient hybrid quantum-classical scheme that displays excellent accuracy over a wide range of parameters. In the spectroscopic setting, the success of such a hybrid scheme can be understood through its separate treatment of homogeneous and inhomogeneous broadening. Importantly, the presented approach has the computational scaling of TCL2, with the modest addition of an embarrassingly parallel prefactor associated with ensemble sampling. The presented approach can be understood as a generalized inhomogeneous cumulant expansion technique, capable of treating multilevel systems with non-adiabatic dynamics.

Linear and nonlinear spectroscopy from quantum master equations

NASA Astrophysics Data System (ADS)

Fetherolf, Jonathan H.; Berkelbach, Timothy C.

2017-12-01

We investigate the accuracy of the second-order time-convolutionless (TCL2) quantum master equation for the calculation of linear and nonlinear spectroscopies of multichromophore systems. We show that even for systems with non-adiabatic coupling, the TCL2 master equation predicts linear absorption spectra that are accurate over an extremely broad range of parameters and well beyond what would be expected based on the perturbative nature of the approach; non-equilibrium population dynamics calculated with TCL2 for identical parameters are significantly less accurate. For third-order (two-dimensional) spectroscopy, the importance of population dynamics and the violation of the so-called quantum regression theorem degrade the accuracy of TCL2 dynamics. To correct these failures, we combine the TCL2 approach with a classical ensemble sampling of slow microscopic bath degrees of freedom, leading to an efficient hybrid quantum-classical scheme that displays excellent accuracy over a wide range of parameters. In the spectroscopic setting, the success of such a hybrid scheme can be understood through its separate treatment of homogeneous and inhomogeneous broadening. Importantly, the presented approach has the computational scaling of TCL2, with the modest addition of an embarrassingly parallel prefactor associated with ensemble sampling. The presented approach can be understood as a generalized inhomogeneous cumulant expansion technique, capable of treating multilevel systems with non-adiabatic dynamics.

Fermi’s golden rule, the origin and breakdown of Markovian master equations, and the relationship between oscillator baths and the random matrix model

NASA Astrophysics Data System (ADS)

Santra, Siddhartha; Cruikshank, Benjamin; Balu, Radhakrishnan; Jacobs, Kurt

2017-10-01

Fermi’s golden rule applies to a situation in which a single quantum state \\vert \\psi> is coupled to a near-continuum. This ‘quasi-continuum coupling’ structure results in a rate equation for the population of \\vert \\psi> . Here we show that the coupling of a quantum system to the standard model of a thermal environment, a bath of harmonic oscillators, can be decomposed into a ‘cascade’ made up of the quasi-continuum coupling structures of Fermi’s golden rule. This clarifies the connection between the physics of the golden rule and that of a thermal bath, and provides a non-rigorous but physically intuitive derivation of the Markovian master equation directly from the former. The exact solution to the Hamiltonian of the golden rule, known as the Bixon-Jortner model, generalized for an asymmetric spectrum, provides a window on how the evolution induced by the bath deviates from the master equation as one moves outside the Markovian regime. Our analysis also reveals the relationship between the oscillator bath and the ‘random matrix model’ (RMT) of a thermal bath. We show that the cascade structure is the one essential difference between the two models, and the lack of it prevents the RMT from generating transition rates that are independent of the initial state of the system. We suggest that the cascade structure is one of the generic elements of thermalizing many-body systems.

Telegraph noise in Markovian master equation for electron transport through molecular junctions

NASA Astrophysics Data System (ADS)

Kosov, Daniel S.

2018-05-01

We present a theoretical approach to solve the Markovian master equation for quantum transport with stochastic telegraph noise. Considering probabilities as functionals of a random telegraph process, we use Novikov's functional method to convert the stochastic master equation to a set of deterministic differential equations. The equations are then solved in the Laplace space, and the expression for the probability vector averaged over the ensemble of realisations of the stochastic process is obtained. We apply the theory to study the manifestations of telegraph noise in the transport properties of molecular junctions. We consider the quantum electron transport in a resonant-level molecule as well as polaronic regime transport in a molecular junction with electron-vibration interaction.

The Approach to Equilibrium: Detailed Balance and the Master Equation

ERIC Educational Resources Information Center

Alexander, Millard H.; Hall, Gregory E.; Dagdigian, Paul J.

2011-01-01

The approach to the equilibrium (Boltzmann) distribution of populations of internal states of a molecule is governed by inelastic collisions in the gas phase and with surfaces. The set of differential equations governing the time evolution of the internal state populations is commonly called the master equation. An analytic solution to the master…

Nonstationary stochastic charge fluctuations of a dust particle in plasmas.

PubMed

Shotorban, B

2011-06-01

Stochastic charge fluctuations of a dust particle that are due to discreteness of electrons and ions in plasmas can be described by a one-step process master equation [T. Matsoukas and M. Russell, J. Appl. Phys. 77, 4285 (1995)] with no exact solution. In the present work, using the system size expansion method of Van Kampen along with the linear noise approximation, a Fokker-Planck equation with an exact Gaussian solution is developed by expanding the master equation. The Gaussian solution has time-dependent mean and variance governed by two ordinary differential equations modeling the nonstationary process of dust particle charging. The model is tested via the comparison of its results to the results obtained by solving the master equation numerically. The electron and ion currents are calculated through the orbital motion limited theory. At various times of the nonstationary process of charging, the model results are in a very good agreement with the master equation results. The deviation is more significant when the standard deviation of the charge is comparable to the mean charge in magnitude.

Open quantum systems, effective Hamiltonians, and device characterization

NASA Astrophysics Data System (ADS)

Duffus, S. N. A.; Dwyer, V. M.; Everitt, M. J.

2017-10-01

High fidelity models, which are able to both support accurate device characterization and correctly account for environmental effects, are crucial to the engineering of scalable quantum technologies. As it ensures positivity of the density matrix, one preferred model of open systems describes the dynamics with a master equation in Lindblad form. In practice, Linblad operators are rarely derived from first principles, and often a particular form of annihilator is assumed. This results in dynamical models that miss those additional terms which must generally be added for the master equation to assume the Lindblad form, together with the other concomitant terms that must be assimilated into an effective Hamiltonian to produce the correct free evolution. In first principles derivations, such additional terms are often canceled (or countered), frequently in a somewhat ad hoc manner, leading to a number of competing models. Whilst the implications of this paper are quite general, to illustrate the point we focus here on an example anharmonic system; specifically that of a superconducting quantum interference device (SQUID) coupled to an Ohmic bath. The resulting master equation implies that the environment has a significant impact on the system's energy; we discuss the prospect of keeping or canceling this impact and note that, for the SQUID, monitoring the magnetic susceptibility under control of the capacitive coupling strength and the externally applied flux results in experimentally measurable differences between a number of these models. In particular, one should be able to determine whether a squeezing term of the form X ̂P ̂+P ̂X ̂ should be present in the effective Hamiltonian or not. If model generation is not performed correctly, device characterization will be prone to systemic errors.

Simple, explicitly time-dependent, and regular solutions of the linearized vacuum Einstein equations in Bondi-Sachs coordinates

NASA Astrophysics Data System (ADS)

Mädler, Thomas

2013-05-01

Perturbations of the linearized vacuum Einstein equations in the Bondi-Sachs formulation of general relativity can be derived from a single master function with spin weight two, which is related to the Weyl scalar Ψ0, and which is determined by a simple wave equation. By utilizing a standard spin representation of tensors on a sphere and two different approaches to solve the master equation, we are able to determine two simple and explicitly time-dependent solutions. Both solutions, of which one is asymptotically flat, comply with the regularity conditions at the vertex of the null cone. For the asymptotically flat solution we calculate the corresponding linearized perturbations, describing all multipoles of spin-2 waves that propagate on a Minkowskian background spacetime. We also analyze the asymptotic behavior of this solution at null infinity using a Penrose compactification and calculate the Weyl scalar Ψ4. Because of its simplicity, the asymptotically flat solution presented here is ideally suited for test bed calculations in the Bondi-Sachs formulation of numerical relativity. It may be considered as a sibling of the Bergmann-Sachs or Teukolsky-Rinne solutions, on spacelike hypersurfaces, for a metric adapted to null hypersurfaces.

Master equation and two heat reservoirs.

PubMed

Trimper, Steffen

2006-11-01

A simple spin-flip process is analyzed under the presence of two heat reservoirs. While one flip process is triggered by a bath at temperature T, the inverse process is activated by a bath at a different temperature T'. The situation can be described by using a master equation approach in a second quantized Hamiltonian formulation. The stationary solution leads to a generalized Fermi-Dirac distribution with an effective temperature Te. Likewise the relaxation time is given in terms of Te. Introducing a spin representation we perform a Landau expansion for the averaged spin as order parameter and consequently, a free energy functional can be derived. Owing to the two reservoirs the model is invariant with respect to a simultaneous change sigma<-->-sigma and T<-->T'. This symmetry generates a third order term in the free energy which gives rise a dynamically induced first order transition.

Fractional Diffusion Processes: Probability Distributions and Continuous Time Random Walk

NASA Astrophysics Data System (ADS)

Gorenflo, R.; Mainardi, F.

A physical-mathematical approach to anomalous diffusion may be based on generalized diffusion equations (containing derivatives of fractional order in space or/and time) and related random walk models. By the space-time fractional diffusion equation we mean an evolution equation obtained from the standard linear diffusion equation by replacing the second-order space derivative with a Riesz-Feller derivative of order alpha in (0,2] and skewness theta (\\verttheta\\vertlemin \\{alpha ,2-alpha \\}), and the first-order time derivative with a Caputo derivative of order beta in (0,1] . The fundamental solution (for the Cauchy problem) of the fractional diffusion equation can be interpreted as a probability density evolving in time of a peculiar self-similar stochastic process. We view it as a generalized diffusion process that we call fractional diffusion process, and present an integral representation of the fundamental solution. A more general approach to anomalous diffusion is however known to be provided by the master equation for a continuous time random walk (CTRW). We show how this equation reduces to our fractional diffusion equation by a properly scaled passage to the limit of compressed waiting times and jump widths. Finally, we describe a method of simulation and display (via graphics) results of a few numerical case studies.

An Experimental and Master Equation Study of the Kinetics of OH/OD + SO2: The Limiting High-Pressure Rate Coefficients.

PubMed

Blitz, Mark A; Salter, Robert J; Heard, Dwayne E; Seakins, Paul W

2017-05-04

The kinetics of the reaction OH/OD + SO 2 were studied using a laser flash photolysis/laser-induced fluorescence technique. Evidence for two-photon photolysis of SO 2 at 248 nm is presented and quantified, and which appears to have been evident to some extent in most previous photolysis studies, potentially leading to values for the rate coefficient k 1 that are too large. The kinetics of the reaction OH(v = 0) + SO 2 (T = 295 K, p = 25-300 torr) were measured under conditions where SO 2 photolysis was taken into account. These results, together with literature data, were modeled using a master equation analysis. This analysis highlighted problems with the literature data: the rate coefficients derived from flash photolysis data were generally too high and from the flow tube data too low. Our best estimate of the high-pressure limiting rate coefficient k 1 ∞ was obtained from selected data and gives a value of (7.8 ± 2.2) × 10 -13 cm 3 molecule -1 s -1 , which is lower than that recommended in the literature. A parametrized form of k 1 ([N 2 ],T) is provided. The OD(v = 0) + SO 2 (T = 295 K, p = 25-300 torr) data are reported for the first time, and master equation analysis reinforces our assignment of k 1 ∞ .

On the structure of the master equation for a two-level system coupled to a thermal bath

NASA Astrophysics Data System (ADS)

de Vega, Inés

2015-04-01

We derive a master equation from the exact stochastic Liouville-von-Neumann (SLN) equation (Stockburger and Grabert 2002 Phys. Rev. Lett. 88 170407). The latter depends on two correlated noises and describes exactly the dynamics of an oscillator (which can be either harmonic or present an anharmonicity) coupled to an environment at thermal equilibrium. The newly derived master equation is obtained by performing analytically the average over different noise trajectories. It is found to have a complex hierarchical structure that might be helpful to explain the convergence problems occurring when performing numerically the stochastic average of trajectories given by the SLN equation (Koch et al 2008 Phys. Rev. Lett. 100 230402, Koch 2010 PhD thesis Fakultät Mathematik und Naturwissenschaften der Technischen Universitat Dresden).

Open groups of constraints. Integrating arbitrary involutions

NASA Astrophysics Data System (ADS)

Batalin, Igor; Marnelius, Robert

1998-11-01

A new type of quantum master equation is presented which is expressed in terms of a recently introduced quantum antibracket. The equation involves only two operators: an extended nilpotent BFV-BRST charge and an extended ghost charge. It is proposed to determine the generalized quantum Maurer-Cartan equations for arbitrary open groups. These groups are the integration of constraints in arbitrary involutions. The only condition for this is that the constraint operators may be embedded in an odd nilpotent operator, the BFV-BRST charge. The proposal is verified at the quasigroup level. The integration formulas are also used to construct a generating operator for quantum antibrackets of operators in arbitrary involutions.

Rejoinder to MacCallum, Edwards, and Cai (2012) and Rindskopf (2012): Mastering a New Method

ERIC Educational Resources Information Center

Muthen, Bengt; Asparouhov, Tihomir

2012-01-01

This rejoinder discusses the general comments on how to use Bayesian structural equation modeling (BSEM) wisely and how to get more people better trained in using Bayesian methods. Responses to specific comments cover how to handle sign switching, nonconvergence and nonidentification, and prior choices in latent variable models. Two new…

Control of Stochastic Master Equation Models of Genetic Regulatory Networks by Approximating Their Average Behavior

NASA Astrophysics Data System (ADS)

Umut Caglar, Mehmet; Pal, Ranadip

2010-10-01

The central dogma of molecular biology states that ``information cannot be transferred back from protein to either protein or nucleic acid.'' However, this assumption is not exactly correct in most of the cases. There are a lot of feedback loops and interactions between different levels of systems. These types of interactions are hard to analyze due to the lack of data in the cellular level and probabilistic nature of interactions. Probabilistic models like Stochastic Master Equation (SME) or deterministic models like differential equations (DE) can be used to analyze these types of interactions. SME models based on chemical master equation (CME) can provide detailed representation of genetic regulatory system, but their use is restricted by the large data requirements and computational costs of calculations. The differential equations models on the other hand, have low calculation costs and much more adequate to generate control procedures on the system; but they are not adequate to investigate the probabilistic nature of interactions. In this work the success of the mapping between SME and DE is analyzed, and the success of a control policy generated by DE model with respect to SME model is examined. Index Terms--- Stochastic Master Equation models, Differential Equation Models, Control Policy Design, Systems biology

Method of conditional moments (MCM) for the Chemical Master Equation: a unified framework for the method of moments and hybrid stochastic-deterministic models.

PubMed

Hasenauer, J; Wolf, V; Kazeroonian, A; Theis, F J

2014-09-01

The time-evolution of continuous-time discrete-state biochemical processes is governed by the Chemical Master Equation (CME), which describes the probability of the molecular counts of each chemical species. As the corresponding number of discrete states is, for most processes, large, a direct numerical simulation of the CME is in general infeasible. In this paper we introduce the method of conditional moments (MCM), a novel approximation method for the solution of the CME. The MCM employs a discrete stochastic description for low-copy number species and a moment-based description for medium/high-copy number species. The moments of the medium/high-copy number species are conditioned on the state of the low abundance species, which allows us to capture complex correlation structures arising, e.g., for multi-attractor and oscillatory systems. We prove that the MCM provides a generalization of previous approximations of the CME based on hybrid modeling and moment-based methods. Furthermore, it improves upon these existing methods, as we illustrate using a model for the dynamics of stochastic single-gene expression. This application example shows that due to the more general structure, the MCM allows for the approximation of multi-modal distributions.

Spin coefficients and gauge fixing in the Newman-Penrose formalism

NASA Astrophysics Data System (ADS)

Nerozzi, Andrea

2017-03-01

Since its introduction in 1962, the Newman-Penrose formalism has been widely used in analytical and numerical studies of Einstein's equations, like for example for the Teukolsky master equation, or as a powerful wave extraction tool in numerical relativity. Despite the many applications, Einstein's equations in the Newman-Penrose formalism appear complicated and not easily applicable to general studies of spacetimes, mainly because physical and gauge degrees of freedom are mixed in a nontrivial way. In this paper we approach the whole formalism with the goal of expressing the spin coefficients as functions of tetrad invariants once a particular tetrad is chosen. We show that it is possible to do so, and give for the first time a general recipe for the task, as well as an indication of the quantities and identities that are required.

Stochastic lumping analysis for linear kinetics and its application to the fluctuation relations between hierarchical kinetic networks.

PubMed

Deng, De-Ming; Chang, Cheng-Hung

2015-05-14

Conventional studies of biomolecular behaviors rely largely on the construction of kinetic schemes. Since the selection of these networks is not unique, a concern is raised whether and under which conditions hierarchical schemes can reveal the same experimentally measured fluctuating behaviors and unique fluctuation related physical properties. To clarify these questions, we introduce stochasticity into the traditional lumping analysis, generalize it from rate equations to chemical master equations and stochastic differential equations, and extract the fluctuation relations between kinetically and thermodynamically equivalent networks under intrinsic and extrinsic noises. The results provide a theoretical basis for the legitimate use of low-dimensional models in the studies of macromolecular fluctuations and, more generally, for exploring stochastic features in different levels of contracted networks in chemical and biological kinetic systems.

On the reduced dynamics of a subset of interacting bosonic particles

NASA Astrophysics Data System (ADS)

Gessner, Manuel; Buchleitner, Andreas

2018-03-01

The quantum dynamics of a subset of interacting bosons in a subspace of fixed particle number is described in terms of symmetrized many-particle states. A suitable partial trace operation over the von Neumann equation of an N-particle system produces a hierarchical expansion for the subdynamics of M ≤ N particles. Truncating this hierarchy with a pure product state ansatz yields the general, nonlinear coherent mean-field equation of motion. In the special case of a contact interaction potential, this reproduces the Gross-Pitaevskii equation. To account for incoherent effects on top of the mean-field evolution, we discuss possible extensions towards a second-order perturbation theory that accounts for interaction-induced decoherence in form of a nonlinear Lindblad-type master equation.

Systematic derivation of reaction-diffusion equations with distributed delays and relations to fractional reaction-diffusion equations and hyperbolic transport equations: application to the theory of Neolithic transition.

PubMed

Vlad, Marcel Ovidiu; Ross, John

2002-12-01

We introduce a general method for the systematic derivation of nonlinear reaction-diffusion equations with distributed delays. We study the interactions among different types of moving individuals (atoms, molecules, quasiparticles, biological organisms, etc). The motion of each species is described by the continuous time random walk theory, analyzed in the literature for transport problems, whereas the interactions among the species are described by a set of transformation rates, which are nonlinear functions of the local concentrations of the different types of individuals. We use the time interval between two jumps (the transition time) as an additional state variable and obtain a set of evolution equations, which are local in time. In order to make a connection with the transport models used in the literature, we make transformations which eliminate the transition time and derive a set of nonlocal equations which are nonlinear generalizations of the so-called generalized master equations. The method leads under different specified conditions to various types of nonlocal transport equations including a nonlinear generalization of fractional diffusion equations, hyperbolic reaction-diffusion equations, and delay-differential reaction-diffusion equations. Thus in the analysis of a given problem we can fit to the data the type of reaction-diffusion equation and the corresponding physical and kinetic parameters. The method is illustrated, as a test case, by the study of the neolithic transition. We introduce a set of assumptions which makes it possible to describe the transition from hunting and gathering to agriculture economics by a differential delay reaction-diffusion equation for the population density. We derive a delay evolution equation for the rate of advance of agriculture, which illustrates an application of our analysis.

Quantum approach of mesoscopic magnet dynamics with spin transfer torque

NASA Astrophysics Data System (ADS)

Wang, Yong; Sham, L. J.

2013-05-01

We present a theory of magnetization dynamics driven by spin-polarized current in terms of the quantum master equation. In the spin coherent state representation, the master equation becomes a Fokker-Planck equation, which naturally includes the spin transfer and quantum fluctuation. The current electron scattering state is correlated to the magnet quantum states, giving rise to quantum correction to the electron transport properties in the usual semiclassical theory. In the large-spin limit, the magnetization dynamics is shown to obey the Hamilton-Jacobi equation or the Hamiltonian canonical equations.

Topographies and dynamics on multidimensional potential energy surfaces

NASA Astrophysics Data System (ADS)

Ball, Keith Douglas

The stochastic master equation is a valuable tool for elucidating potential energy surface (PES) details that govern structural relaxation in clusters, bulk systems, and protein folding. This work develops a comprehensive framework for studying non-equilibrium relaxation dynamics using the master equation. Since our master equations depend upon accurate partition function models for use in Rice-Ramsperger-Kassel-Marcus (RRK(M) transition state theory, this work introduces several such models employing various harmonic and anharmonic approximations and compares their predicted equilibrium population distributions with those determined from molecular dynamics. This comparison is performed for the fully-delineated surfaces (KCl)5 and Ar9 to evaluate model performance for potential surfaces with long- and short-range interactions, respectively. For each system, several models perform better than a simple harmonic approximation. While no model gives acceptable results for all minima, and optimal modeling strategies differ for (KCl)5 and Ar9, a particular one-parameter model gives the best agreement with simulation for both systems. We then construct master equations from these models and compare their isothermal relaxation predictions for (KCl)5 and Ar9 with molecular dynamics simulations. This is the first comprehensive test of the kinetic performance of partition function models of its kind. Our results show that accurate modeling of transition-state partition functions is more important for (KCl)5 than for Ar9 in reproducing simulation results, due to a marked stiffening anharmonicity in the transition-state normal modes of (KCl)5. For both systems, several models yield qualitative agreement with simulation over a large temperature range. To examine the robustness of the master equation when applied to larger systems, for which full topographical descriptions would be either impossible or infeasible, we compute relaxation predictions for Ar11 using a master equation constructed from data representing the full PES, and compare these predictions to those of reduced master equations based on statistical samples of the full PES. We introduce a sampling method which generates random, Boltzmann-weighted, energetically 'downhill' sequences. The study reveals that, at moderate temperatures, the slowest relaxation timescale converges as the number of sequences in a sample grows to ~1000. Furthermore, the asymptotic timescale is comparable to the full-PES value.

Cavity master equation for the continuous time dynamics of discrete-spin models.

PubMed

Aurell, E; Del Ferraro, G; Domínguez, E; Mulet, R

2017-05-01

We present an alternate method to close the master equation representing the continuous time dynamics of interacting Ising spins. The method makes use of the theory of random point processes to derive a master equation for local conditional probabilities. We analytically test our solution studying two known cases, the dynamics of the mean-field ferromagnet and the dynamics of the one-dimensional Ising system. We present numerical results comparing our predictions with Monte Carlo simulations in three different models on random graphs with finite connectivity: the Ising ferromagnet, the random field Ising model, and the Viana-Bray spin-glass model.

Cavity master equation for the continuous time dynamics of discrete-spin models

NASA Astrophysics Data System (ADS)

Aurell, E.; Del Ferraro, G.; Domínguez, E.; Mulet, R.

2017-05-01

We present an alternate method to close the master equation representing the continuous time dynamics of interacting Ising spins. The method makes use of the theory of random point processes to derive a master equation for local conditional probabilities. We analytically test our solution studying two known cases, the dynamics of the mean-field ferromagnet and the dynamics of the one-dimensional Ising system. We present numerical results comparing our predictions with Monte Carlo simulations in three different models on random graphs with finite connectivity: the Ising ferromagnet, the random field Ising model, and the Viana-Bray spin-glass model.

Effect of Dust Coagulation Dynamics on the Geometry of Aggregates

NASA Technical Reports Server (NTRS)

Nakamura, R.

1996-01-01

Master equation gives a more fundamental description of stochastic coagulation processes rather than popular Smoluchowski's equation. In order to examine the effect of the dynamics on the geometry of resulting aggregates, we study Master equation with a rigorous Monte Carlo algorithm. It is found that Cluster-Cluster aggregation model is a good approximation of orderly growth and the aggregates have fluffy structures with a fractal dimension approx. 2. A scaling analysis of Smoluchowski's equation also supports this conclusion.

Magic bases, metric ansaetze and generalized graph theories in the Virasoro master equation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Halpern, M.B.; Obers, N.A.

1991-11-15

The authors define a class of magic Lie group bases in which the Virasoro master equation admits a class of simple metric ansaetze (g{sub metric}), whose structure is visible in the high-level expansion. When a magic basis is real on compact g, the corresponding g{sub metric} is a large system of unitary, generically irrational conformal field theories. Examples in this class include the graph-theory ansatz SO(n){sub diag} in the Cartesian basis of So(n) and the ansatz SU(n){sub metric} in the Pauli-like basis of SU(n). A new phenomenon is observed in the high-level comparison of SU(n){sub metric}: Due to the trigonometricmore » structure constants of the Pauli-like basis, irrational central charge is clearly visible at finite order of the expansion. They also define the sine-area graphs of SU(n), which label the conformal field theories of SU(n){sub metric} and note that, in a similar fashion, each magic basis of g defines a generalize graph theory on g which labels the conformal field theories of g{sub metric}.« less

Generalized Gibbs state with modified Redfield solution: Exact agreement up to second order

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thingna, Juzar; Wang, Jian-Sheng; Haenggi, Peter

A novel scheme for the steady state solution of the standard Redfield quantum master equation is developed which yields agreement with the exact result for the corresponding reduced density matrix up to second order in the system-bath coupling strength. We achieve this objective by use of an analytic continuation of the off-diagonal matrix elements of the Redfield solution towards its diagonal limit. Notably, our scheme does not require the provision of yet higher order relaxation tensors. Testing this modified method for a heat bath consisting of a collection of harmonic oscillators we assess that the system relaxes towards its correctmore » coupling-dependent, generalized quantum Gibbs state in second order. We numerically compare our formulation for a damped quantum harmonic system with the nonequilibrium Green's function formalism: we find good agreement at low temperatures for coupling strengths that are even larger than expected from the very regime of validity of the second-order Redfield quantum master equation. Yet another advantage of our method is that it markedly reduces the numerical complexity of the problem; thus, allowing to study efficiently large-sized system Hilbert spaces.« less

Dynamics of quantum tomography in an open system

NASA Astrophysics Data System (ADS)

Uchiyama, Chikako

2015-06-01

In this study, we provide a way to describe the dynamics of quantum tomography in an open system with a generalized master equation, considering a case where the relevant system under tomographic measurement is influenced by the environment. We apply this to spin tomography because such situations typically occur in μSR (muon spin rotation/relaxation/resonance) experiments where microscopic features of the material are investigated by injecting muons as probes. As a typical example to describe the interaction between muons and a sample material, we use a spin-boson model where the relevant spin interacts with a bosonic environment. We describe the dynamics of a spin tomogram using a time-convolutionless type of generalized master equation that enables us to describe short time scales and/or low-temperature regions. Through numerical evaluation for the case of Ohmic spectral density with an exponential cutoff, a clear interdependency is found between the time evolution of elements of the density operator and a spin tomogram. The formulation in this paper may provide important fundamental information for the analysis of results from, for example, μSR experiments on short time scales and/or in low-temperature regions using spin tomography.

Evaluating four-loop conformal Feynman integrals by D-dimensional differential equations

NASA Astrophysics Data System (ADS)

Eden, Burkhard; Smirnov, Vladimir A.

2016-10-01

We evaluate a four-loop conformal integral, i.e. an integral over four four-dimensional coordinates, by turning to its dimensionally regularized version and applying differential equations for the set of the corresponding 213 master integrals. To solve these linear differential equations we follow the strategy suggested by Henn and switch to a uniformly transcendental basis of master integrals. We find a solution to these equations up to weight eight in terms of multiple polylogarithms. Further, we present an analytical result for the given four-loop conformal integral considered in four-dimensional space-time in terms of single-valued harmonic polylogarithms. As a by-product, we obtain analytical results for all the other 212 master integrals within dimensional regularization, i.e. considered in D dimensions.

Qubit models of weak continuous measurements: markovian conditional and open-system dynamics

NASA Astrophysics Data System (ADS)

Gross, Jonathan A.; Caves, Carlton M.; Milburn, Gerard J.; Combes, Joshua

2018-04-01

In this paper we approach the theory of continuous measurements and the associated unconditional and conditional (stochastic) master equations from the perspective of quantum information and quantum computing. We do so by showing how the continuous-time evolution of these master equations arises from discretizing in time the interaction between a system and a probe field and by formulating quantum-circuit diagrams for the discretized evolution. We then reformulate this interaction by replacing the probe field with a bath of qubits, one for each discretized time segment, reproducing all of the standard quantum-optical master equations. This provides an economical formulation of the theory, highlighting its fundamental underlying assumptions.

Communication: Limitations of the stochastic quasi-steady-state approximation in open biochemical reaction networks

NASA Astrophysics Data System (ADS)

Thomas, Philipp; Straube, Arthur V.; Grima, Ramon

2011-11-01

It is commonly believed that, whenever timescale separation holds, the predictions of reduced chemical master equations obtained using the stochastic quasi-steady-state approximation are in very good agreement with the predictions of the full master equations. We use the linear noise approximation to obtain a simple formula for the relative error between the predictions of the two master equations for the Michaelis-Menten reaction with substrate input. The reduced approach is predicted to overestimate the variance of the substrate concentration fluctuations by as much as 30%. The theoretical results are validated by stochastic simulations using experimental parameter values for enzymes involved in proteolysis, gluconeogenesis, and fermentation.

Non-Boltzmann Modeling for Air Shock-Layer Radiation at Lunar-Return Conditions

NASA Technical Reports Server (NTRS)

Johnston, Christopher O.; Hollis, Brian R.; Sutton, Kenneth

2008-01-01

This paper investigates the non-Boltzmann modeling of the radiating atomic and molecular electronic states present in lunar-return shock-layers. The Master Equation is derived for a general atom or molecule while accounting for a variety of excitation and de-excitation mechanisms. A new set of electronic-impact excitation rates is compiled for N, O, and N2+, which are the main radiating species for most lunar-return shock-layers. Based on these new rates, a novel approach of curve-fitting the non-Boltzmann populations of the radiating atomic and molecular states is developed. This new approach provides a simple and accurate method for calculating the atomic and molecular non-Boltzmann populations while avoiding the matrix inversion procedure required for the detailed solution of the Master Equation. The radiative flux values predicted by the present detailed non-Boltzmann model and the approximate curve-fitting approach are shown to agree within 5% for the Fire 1634 s case.

Continuous joint measurement and entanglement of qubits in remote cavities

NASA Astrophysics Data System (ADS)

Motzoi, Felix; Whaley, K. Birgitta; Sarovar, Mohan

2015-09-01

We present a first-principles theoretical analysis of the entanglement of two superconducting qubits in spatially separated microwave cavities by a sequential (cascaded) probe of the two cavities with a coherent mode, that provides a full characterization of both the continuous measurement induced dynamics and the entanglement generation. We use the SLH formalism to derive the full quantum master equation for the coupled qubits and cavities system, within the rotating wave and dispersive approximations, and conditioned equations for the cavity fields. We then develop effective stochastic master equations for the dynamics of the qubit system in both a polaronic reference frame and a reduced representation within the laboratory frame. We compare simulations with and analyze tradeoffs between these two representations, including the onset of a non-Markovian regime for simulations in the reduced representation. We provide conditions for ensuring persistence of entanglement and show that using shaped pulses enables these conditions to be met at all times under general experimental conditions. The resulting entanglement is shown to be robust with respect to measurement imperfections and loss channels. We also study the effects of qubit driving and relaxation dynamics during a weak measurement, as a prelude to modeling measurement-based feedback control in this cascaded system.

Conditional and unconditional Gaussian quantum dynamics

NASA Astrophysics Data System (ADS)

Genoni, Marco G.; Lami, Ludovico; Serafini, Alessio

2016-07-01

This article focuses on the general theory of open quantum systems in the Gaussian regime and explores a number of diverse ramifications and consequences of the theory. We shall first introduce the Gaussian framework in its full generality, including a classification of Gaussian (also known as 'general-dyne') quantum measurements. In doing so, we will give a compact proof for the parametrisation of the most general Gaussian completely positive map, which we believe to be missing in the existing literature. We will then move on to consider the linear coupling with a white noise bath, and derive the diffusion equations that describe the evolution of Gaussian states under such circumstances. Starting from these equations, we outline a constructive method to derive general master equations that apply outside the Gaussian regime. Next, we include the general-dyne monitoring of the environmental degrees of freedom and recover the Riccati equation for the conditional evolution of Gaussian states. Our derivation relies exclusively on the standard quantum mechanical update of the system state, through the evaluation of Gaussian overlaps. The parametrisation of the conditional dynamics we obtain is novel and, at variance with existing alternatives, directly ties in to physical detection schemes. We conclude our study with two examples of conditional dynamics that can be dealt with conveniently through our formalism, demonstrating how monitoring can suppress the noise in optical parametric processes as well as stabilise systems subject to diffusive scattering.

Detailed Balance of Thermalization Dynamics in Rydberg-Atom Quantum Simulators.

PubMed

Kim, Hyosub; Park, YeJe; Kim, Kyungtae; Sim, H-S; Ahn, Jaewook

2018-05-04

Dynamics of large complex systems, such as relaxation towards equilibrium in classical statistical mechanics, often obeys a master equation that captures essential information from the complexities. Here, we find that thermalization of an isolated many-body quantum state can be described by a master equation. We observe sudden quench dynamics of quantum Ising-like models implemented in our quantum simulator, defect-free single-atom tweezers in conjunction with Rydberg-atom interaction. Saturation of their local observables, a thermalization signature, obeys a master equation experimentally constructed by monitoring the occupation probabilities of prequench states and imposing the principle of the detailed balance. Our experiment agrees with theories and demonstrates the detailed balance in a thermalization dynamics that does not require coupling to baths or postulated randomness.

Detailed Balance of Thermalization Dynamics in Rydberg-Atom Quantum Simulators

NASA Astrophysics Data System (ADS)

Kim, Hyosub; Park, YeJe; Kim, Kyungtae; Sim, H.-S.; Ahn, Jaewook

2018-05-01

Dynamics of large complex systems, such as relaxation towards equilibrium in classical statistical mechanics, often obeys a master equation that captures essential information from the complexities. Here, we find that thermalization of an isolated many-body quantum state can be described by a master equation. We observe sudden quench dynamics of quantum Ising-like models implemented in our quantum simulator, defect-free single-atom tweezers in conjunction with Rydberg-atom interaction. Saturation of their local observables, a thermalization signature, obeys a master equation experimentally constructed by monitoring the occupation probabilities of prequench states and imposing the principle of the detailed balance. Our experiment agrees with theories and demonstrates the detailed balance in a thermalization dynamics that does not require coupling to baths or postulated randomness.

Electronic structure, transport, and collective effects in molecular layered systems.

PubMed

Hahn, Torsten; Ludwig, Tim; Timm, Carsten; Kortus, Jens

2017-01-01

The great potential of organic heterostructures for organic device applications is exemplified by the targeted engineering of the electronic properties of phthalocyanine-based systems. The transport properties of two different phthalocyanine systems, a pure copper phthalocyanine (CoPc) and a flourinated copper phthalocyanine-manganese phthalocyanine (F 16 CoPc/MnPc) heterostructure, are investigated by means of density functional theory (DFT) and the non-equilibrium Green's function (NEGF) approach. Furthermore, a master-equation-based approach is used to include electronic correlations beyond the mean-field-type approximation of DFT. We describe the essential theoretical tools to obtain the parameters needed for the master equation from DFT results. Finally, an interacting molecular monolayer is considered within a master-equation approach.

Algebraic aspects of the driven dynamics in the density operator and correlation functions calculation for multi-level open quantum systems

NASA Astrophysics Data System (ADS)

Bogolubov, Nikolai N.; Soldatov, Andrey V.

2017-12-01

Exact and approximate master equations were derived by the projection operator method for the reduced statistical operator of a multi-level quantum system with finite number N of quantum eigenstates interacting with arbitrary external classical fields and dissipative environment simultaneously. It was shown that the structure of these equations can be simplified significantly if the free Hamiltonian driven dynamics of an arbitrary quantum multi-level system under the influence of the external driving fields as well as its Markovian and non-Markovian evolution, stipulated by the interaction with the environment, are described in terms of the SU(N) algebra representation. As a consequence, efficient numerical methods can be developed and employed to analyze these master equations for real problems in various fields of theoretical and applied physics. It was also shown that literally the same master equations hold not only for the reduced density operator but also for arbitrary nonequilibrium multi-time correlation functions as well under the only assumption that the system and the environment are uncorrelated at some initial moment of time. A calculational scheme was proposed to account for these lost correlations in a regular perturbative way, thus providing additional computable terms to the correspondent master equations for the correlation functions.

A new method for calculating differential distributions directly in Mellin space

NASA Astrophysics Data System (ADS)

Mitov, Alexander

2006-12-01

We present a new method for the calculation of differential distributions directly in Mellin space without recourse to the usual momentum-fraction (or z-) space. The method is completely general and can be applied to any process. It is based on solving the integration-by-parts identities when one of the powers of the propagators is an abstract number. The method retains the full dependence on the Mellin variable and can be implemented in any program for solving the IBP identities based on algebraic elimination, like Laporta. General features of the method are: (1) faster reduction, (2) smaller number of master integrals compared to the usual z-space approach and (3) the master integrals satisfy difference instead of differential equations. This approach generalizes previous results related to fully inclusive observables like the recently calculated three-loop space-like anomalous dimensions and coefficient functions in inclusive DIS to more general processes requiring separate treatment of the various physical cuts. Many possible applications of this method exist, the most notable being the direct evaluation of the three-loop time-like splitting functions in QCD.

Type II superstring field theory: geometric approach and operadic description

NASA Astrophysics Data System (ADS)

Jurčo, Branislav; Münster, Korbinian

2013-04-01

We outline the construction of type II superstring field theory leading to a geometric and algebraic BV master equation, analogous to Zwiebach's construction for the bosonic string. The construction uses the small Hilbert space. Elementary vertices of the non-polynomial action are described with the help of a properly formulated minimal area problem. They give rise to an infinite tower of superstring field products defining a {N} = 1 generalization of a loop homotopy Lie algebra, the genus zero part generalizing a homotopy Lie algebra. Finally, we give an operadic interpretation of the construction.

Supersymmetric quantum spin chains and classical integrable systems

NASA Astrophysics Data System (ADS)

Tsuboi, Zengo; Zabrodin, Anton; Zotov, Andrei

2015-05-01

For integrable inhomogeneous supersymmetric spin chains (generalized graded magnets) constructed employing Y( gl( N| M))-invariant R-matrices in finite-dimensional representations we introduce the master T-operator which is a sort of generating function for the family of commuting quantum transfer matrices. Any eigenvalue of the master T-operator is the tau-function of the classical mKP hierarchy. It is a polynomial in the spectral parameter which is identified with the 0-th time of the hierarchy. This implies a remarkable relation between the quantum supersymmetric spin chains and classical many-body integrable systems of particles of the Ruijsenaars-Schneider type. As an outcome, we obtain a system of algebraic equations for the spectrum of the spin chain Hamiltonians.

Decoherence, discord, and the quantum master equation for cosmological perturbations

NASA Astrophysics Data System (ADS)

Hollowood, Timothy J.; McDonald, Jamie I.

2017-05-01

We examine environmental decoherence of cosmological perturbations in order to study the quantum-to-classical transition and the impact of noise on entanglement during inflation. Given an explicit interaction between the system and environment, we derive a quantum master equation for the reduced density matrix of perturbations, drawing parallels with quantum Brownian motion, where we see the emergence of fluctuation and dissipation terms. Although the master equation is not in Lindblad form, we see how typical solutions exhibit positivity on super-horizon scales, leading to a physically meaningful density matrix. This allows us to write down a Langevin equation with stochastic noise for the classical trajectories which emerge from the quantum system on super-horizon scales. In particular, we find that environmental decoherence increases in strength as modes exit the horizon, with the growth driven essentially by white noise coming from local contributions to environmental correlations. Finally, we use our master equation to quantify the strength of quantum correlations as captured by discord. We show that environmental interactions have a tendency to decrease the size of the discord and that these effects are determined by the relative strength of the expansion rate and interaction rate of the environment. We interpret this in terms of the competing effects of particle creation versus environmental fluctuations, which tend to increase and decrease the discord respectively.

Field Effect Transistor in Nanoscale

DTIC Science & Technology

2017-04-26

analogues) and BxCyNz (Napathalene analogues with x+y+z=10) molecules using quantum many body approach coupled with kinetic (master) equations...analogues with x +y+z=10) molecules using quantum many body approach coupled with kinetic (master) equations. Interestingly, various types of non-linear...Small molecules (such as benzene), double quantum dots (like GaAs-based QDs) which are coupled weakly to metallic electrodes have shown their

Generation of squeezed microwave states by a dc-pumped degenerate parametric Josephson junction oscillator

NASA Astrophysics Data System (ADS)

Kaertner, Franz X.; Russer, Peter

1990-11-01

The master equation for a dc-pumped degenerate Josephson parametric amplifier is derived. It is shown that the Wigner distribution representation of this master equation can be approximated by a Fokker-Planck equation. By using this equation, the dynamical behavior of this degenerate Josephson amplifier with respect to squeezing of the radiation field is investigated. It is shown that below threshold of parametric oscillation, a squeezed vacuum state can be generated, and above threshold a second bifurcation point exists, where the device generates amplitude squeezed radiation. Basic relations between the achievable amplitude squeezing, the output power, and the operation frequency are derived.

Group-kinetic theory of turbulence

NASA Technical Reports Server (NTRS)

Tchen, C. M.

1986-01-01

The two phases are governed by two coupled systems of Navier-Stokes equations. The couplings are nonlinear. These equations describe the microdynamical state of turbulence, and are transformed into a master equation. By scaling, a kinetic hierarchy is generated in the form of groups, representing the spectral evolution, the diffusivity and the relaxation. The loss of memory in formulating the relaxation yields the closure. The network of sub-distributions that participates in the relaxation is simulated by a self-consistent porous medium, so that the average effect on the diffusivity is to make it approach equilibrium. The kinetic equation of turbulence is derived. The method of moments reverts it to the continuum. The equation of spectral evolution is obtained and the transport properties are calculated. In inertia turbulence, the Kolmogoroff law for weak coupling and the spectrum for the strong coupling are found. As the fluid analog, the nonlinear Schrodinger equation has a driving force in the form of emission of solitons by velocity fluctuations, and is used to describe the microdynamical state of turbulence. In order for the emission together with the modulation to participate in the transport processes, the non-homogeneous Schrodinger equation is transformed into a homogeneous master equation. By group-scaling, the master equation is decomposed into a system of transport equations, replacing the Bogoliubov system of equations of many-particle distributions. It is in the relaxation that the memory is lost when the ensemble of higher-order distributions is simulated by an effective porous medium. The closure is thus found. The kinetic equation is derived and transformed into the equation of spectral flow.

Non-Markovian quantum Brownian motion in one dimension in electric fields

NASA Astrophysics Data System (ADS)

Shen, H. Z.; Su, S. L.; Zhou, Y. H.; Yi, X. X.

2018-04-01

Quantum Brownian motion is the random motion of quantum particles suspended in a field (or an effective field) resulting from their collision with fast-moving modes in the field. It provides us with a fundamental model to understand various physical features concerning open systems in chemistry, condensed-matter physics, biophysics, and optomechanics. In this paper, without either the Born-Markovian or rotating-wave approximation, we derive a master equation for a charged-Brownian particle in one dimension coupled with a thermal reservoir in electric fields. The effect of the reservoir and the electric fields is manifested as time-dependent coefficients and coherent terms, respectively, in the master equation. The two-photon correlation between the Brownian particle and the reservoir can induce nontrivial squeezing dynamics to the particle. We derive a current equation including the source from the driving fields, transient current from the system flowing into the environment, and the two-photon current caused by the non-rotating-wave term. The presented results then are compared with that given by the rotating-wave approximation in the weak-coupling limit, and these results are extended to a more general quantum network involving an arbitrary number of coupled-Brownian particles. The presented formalism might open a way to better understand exactly the non-Markovian quantum network.

From stochastic processes to numerical methods: A new scheme for solving reaction subdiffusion fractional partial differential equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Angstmann, C.N.; Donnelly, I.C.; Henry, B.I., E-mail: B.Henry@unsw.edu.au

We have introduced a new explicit numerical method, based on a discrete stochastic process, for solving a class of fractional partial differential equations that model reaction subdiffusion. The scheme is derived from the master equations for the evolution of the probability density of a sum of discrete time random walks. We show that the diffusion limit of the master equations recovers the fractional partial differential equation of interest. This limiting procedure guarantees the consistency of the numerical scheme. The positivity of the solution and stability results are simply obtained, provided that the underlying process is well posed. We also showmore » that the method can be applied to standard reaction–diffusion equations. This work highlights the broader applicability of using discrete stochastic processes to provide numerical schemes for partial differential equations, including fractional partial differential equations.« less

Relaxation Processes and Time Scale Transformation.

DTIC Science & Technology

1982-03-01

the response function may be immediately recognized as being 14 of the Kubo - Green type in the classical regime. Given this general framework, it is now...discussions of the master equation, 2and has recently been applied in cumulative damage models with discrete time parameter .3 However, it does not seem to...development parameter is taken tG be a positive, cumulative function that increases from an origin monotonically. Consider two continuous time scales e and t

Understanding the importance of the temperature dependence of viscosity on the crystallization dynamics in the Ge2Sb2Te5 phase-change material

NASA Astrophysics Data System (ADS)

Aladool, A.; Aziz, M. M.; Wright, C. D.

2017-06-01

The crystallization dynamics in the phase-change material Ge2Sb2Te5 is modelled using the more detailed Master equation method over a wide range of heating rates commensurate with published ultrafast calorimetry experiments. Through the attachment and detachment of monomers, the Master rate equation naturally traces nucleation and growth of crystallites with temperature history to calculate the transient distribution of cluster sizes in the material. Both the attachment and detachment rates in this theory are strong functions of viscosity, and thus, the value of viscosity and its dependence on temperature significantly affect the crystallization process. In this paper, we use the physically realistic Mauro-Yue-Ellison-Gupta-Allan viscosity model in the Master equation approach to study the role of the viscosity model parameters on the crystallization dynamics in Ge2Sb2Te5 under ramped annealing conditions with heating rates up to 4 × 104 K/s. Furthermore, due to the relatively low computational cost of the Master equation method compared to atomistic level computations, an iterative numerical approach was developed to fit theoretical Kissinger plots simulated with the Master equation system to experimental Kissinger plots from ultrafast calorimetry measurements at increasing heating rates. This provided a more rigorous method (incorporating both nucleation and growth processes) to extract the viscosity model parameters from the analysis of experimental data. The simulations and analysis revealed the strong coupling between the glass transition temperature and fragility index in the viscosity and crystallization models and highlighted the role of the dependence of the glass transition temperature on the heating rate for the accurate estimation of the fragility index of phase-change materials from the analysis of experimental measurements.

Eternal non-Markovianity: from random unitary to Markov chain realisations.

PubMed

Megier, Nina; Chruściński, Dariusz; Piilo, Jyrki; Strunz, Walter T

2017-07-25

The theoretical description of quantum dynamics in an intriguing way does not necessarily imply the underlying dynamics is indeed intriguing. Here we show how a known very interesting master equation with an always negative decay rate [eternal non-Markovianity (ENM)] arises from simple stochastic Schrödinger dynamics (random unitary dynamics). Equivalently, it may be seen as arising from a mixture of Markov (semi-group) open system dynamics. Both these approaches lead to a more general family of CPT maps, characterized by a point within a parameter triangle. Our results show how ENM quantum dynamics can be realised easily in the laboratory. Moreover, we find a quantum time-continuously measured (quantum trajectory) realisation of the dynamics of the ENM master equation based on unitary transformations and projective measurements in an extended Hilbert space, guided by a classical Markov process. Furthermore, a Gorini-Kossakowski-Sudarshan-Lindblad (GKSL) representation of the dynamics in an extended Hilbert space can be found, with a remarkable property: there is no dynamics in the ancilla state. Finally, analogous constructions for two qubits extend these results from non-CP-divisible to non-P-divisible dynamics.

On the accuracy of the Padé-resummed master equation approach to dissipative quantum dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Hsing-Ta; Reichman, David R.; Berkelbach, Timothy C.

2016-04-21

Well-defined criteria are proposed for assessing the accuracy of quantum master equations whose memory functions are approximated by Padé resummation of the first two moments in the electronic coupling. These criteria partition the parameter space into distinct levels of expected accuracy, ranging from quantitatively accurate regimes to regions of parameter space where the approach is not expected to be applicable. Extensive comparison of Padé-resummed master equations with numerically exact results in the context of the spin–boson model demonstrates that the proposed criteria correctly demarcate the regions of parameter space where the Padé approximation is reliable. The applicability analysis we presentmore » is not confined to the specifics of the Hamiltonian under consideration and should provide guidelines for other classes of resummation techniques.« less

Solving the master equation without kinetic Monte Carlo: Tensor train approximations for a CO oxidation model

NASA Astrophysics Data System (ADS)

Gelß, Patrick; Matera, Sebastian; Schütte, Christof

2016-06-01

In multiscale modeling of heterogeneous catalytic processes, one crucial point is the solution of a Markovian master equation describing the stochastic reaction kinetics. Usually, this is too high-dimensional to be solved with standard numerical techniques and one has to rely on sampling approaches based on the kinetic Monte Carlo method. In this study we break the curse of dimensionality for the direct solution of the Markovian master equation by exploiting the Tensor Train Format for this purpose. The performance of the approach is demonstrated on a first principles based, reduced model for the CO oxidation on the RuO2(110) surface. We investigate the complexity for increasing system size and for various reaction conditions. The advantage over the stochastic simulation approach is illustrated by a problem with increased stiffness.

Hierarchical quantum master equation approach to electronic-vibrational coupling in nonequilibrium transport through nanosystems

NASA Astrophysics Data System (ADS)

Schinabeck, C.; Erpenbeck, A.; Härtle, R.; Thoss, M.

2016-11-01

Within the hierarchical quantum master equation (HQME) framework, an approach is presented, which allows a numerically exact description of nonequilibrium charge transport in nanosystems with strong electronic-vibrational coupling. The method is applied to a generic model of vibrationally coupled transport considering a broad spectrum of parameters ranging from the nonadiabatic to the adiabatic regime and including both resonant and off-resonant transport. We show that nonequilibrium effects are important in all these regimes. In particular, in the off-resonant transport regime, the inelastic cotunneling signal is analyzed for a vibrational mode in full nonequilibrium, revealing a complex interplay of different transport processes and deviations from the commonly used G0/2 rule of thumb. In addition, the HQME approach is used to benchmark approximate master equation and nonequilibrium Green's function methods.

Describing the dynamics of processes consisting simultaneously of Poissonian and non-Poissonian kinetics

NASA Astrophysics Data System (ADS)

Eule, S.; Friedrich, R.

2013-03-01

Dynamical processes exhibiting non-Poissonian kinetics with nonexponential waiting times are frequently encountered in nature. Examples are biochemical processes like gene transcription which are known to involve multiple intermediate steps. However, often a second process, obeying Poissonian statistics, affects the first one simultaneously, such as the degradation of mRNA in the above example. The aim of the present article is to provide a concise treatment of such random systems which are affected by regular and non-Poissonian kinetics at the same time. We derive the governing master equation and provide a controlled approximation scheme for this equation. The simplest approximation leads to generalized reaction rate equations. For a simple model of gene transcription we solve the resulting equation and show how the time evolution is influenced significantly by the type of waiting time distribution assumed for the non-Poissonian process.

An Analytical Framework for Studying Small-Number Effects in Catalytic Reaction Networks: A Probability Generating Function Approach to Chemical Master Equations

PubMed Central

Nakagawa, Masaki; Togashi, Yuichi

2016-01-01

Cell activities primarily depend on chemical reactions, especially those mediated by enzymes, and this has led to these activities being modeled as catalytic reaction networks. Although deterministic ordinary differential equations of concentrations (rate equations) have been widely used for modeling purposes in the field of systems biology, it has been pointed out that these catalytic reaction networks may behave in a way that is qualitatively different from such deterministic representation when the number of molecules for certain chemical species in the system is small. Apart from this, representing these phenomena by simple binary (on/off) systems that omit the quantities would also not be feasible. As recent experiments have revealed the existence of rare chemical species in cells, the importance of being able to model potential small-number phenomena is being recognized. However, most preceding studies were based on numerical simulations, and theoretical frameworks to analyze these phenomena have not been sufficiently developed. Motivated by the small-number issue, this work aimed to develop an analytical framework for the chemical master equation describing the distributional behavior of catalytic reaction networks. For simplicity, we considered networks consisting of two-body catalytic reactions. We used the probability generating function method to obtain the steady-state solutions of the chemical master equation without specifying the parameters. We obtained the time evolution equations of the first- and second-order moments of concentrations, and the steady-state analytical solution of the chemical master equation under certain conditions. These results led to the rank conservation law, the connecting state to the winner-takes-all state, and analysis of 2-molecules M-species systems. A possible interpretation of the theoretical conclusion for actual biochemical pathways is also discussed. PMID:27047384

Multiple re-encounter approach to radical pair reactions and the role of nonlinear master equations.

PubMed

Clausen, Jens; Guerreschi, Gian Giacomo; Tiersch, Markus; Briegel, Hans J

2014-08-07

We formulate a multiple-encounter model of the radical pair mechanism that is based on a random coupling of the radical pair to a minimal model environment. These occasional pulse-like couplings correspond to the radical encounters and give rise to both dephasing and recombination. While this is in agreement with the original model of Haberkorn and its extensions that assume additional dephasing, we show how a nonlinear master equation may be constructed to describe the conditional evolution of the radical pairs prior to the detection of their recombination. We propose a nonlinear master equation for the evolution of an ensemble of independently evolving radical pairs whose nonlinearity depends on the record of the fluorescence signal. We also reformulate Haberkorn's original argument on the physicality of reaction operators using the terminology of quantum optics/open quantum systems. Our model allows one to describe multiple encounters within the exponential model and connects this with the master equation approach. We include hitherto neglected effects of the encounters, such as a separate dephasing in the triplet subspace, and predict potential new effects, such as Grover reflections of radical spins, that may be observed if the strength and time of the encounters can be experimentally controlled.

QuTiP: An open-source Python framework for the dynamics of open quantum systems

NASA Astrophysics Data System (ADS)

Johansson, J. R.; Nation, P. D.; Nori, Franco

2012-08-01

We present an object-oriented open-source framework for solving the dynamics of open quantum systems written in Python. Arbitrary Hamiltonians, including time-dependent systems, may be built up from operators and states defined by a quantum object class, and then passed on to a choice of master equation or Monte Carlo solvers. We give an overview of the basic structure for the framework before detailing the numerical simulation of open system dynamics. Several examples are given to illustrate the build up to a complete calculation. Finally, we measure the performance of our library against that of current implementations. The framework described here is particularly well suited to the fields of quantum optics, superconducting circuit devices, nanomechanics, and trapped ions, while also being ideal for use in classroom instruction. Catalogue identifier: AEMB_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEMB_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License, version 3 No. of lines in distributed program, including test data, etc.: 16 482 No. of bytes in distributed program, including test data, etc.: 213 438 Distribution format: tar.gz Programming language: Python Computer: i386, x86-64 Operating system: Linux, Mac OSX, Windows RAM: 2+ Gigabytes Classification: 7 External routines: NumPy (http://numpy.scipy.org/), SciPy (http://www.scipy.org/), Matplotlib (http://matplotlib.sourceforge.net/) Nature of problem: Dynamics of open quantum systems. Solution method: Numerical solutions to Lindblad master equation or Monte Carlo wave function method. Restrictions: Problems must meet the criteria for using the master equation in Lindblad form. Running time: A few seconds up to several tens of minutes, depending on size of underlying Hilbert space.

Gravitational perturbations and metric reconstruction: Method of extended homogeneous solutions applied to eccentric orbits on a Schwarzschild black hole

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hopper, Seth; Evans, Charles R.

2010-10-15

We calculate the gravitational perturbations produced by a small mass in eccentric orbit about a much more massive Schwarzschild black hole and use the numerically computed perturbations to solve for the metric. The calculations are initially made in the frequency domain and provide Fourier-harmonic modes for the gauge-invariant master functions that satisfy inhomogeneous versions of the Regge-Wheeler and Zerilli equations. These gravitational master equations have specific singular sources containing both delta function and derivative-of-delta function terms. We demonstrate in this paper successful application of the method of extended homogeneous solutions, developed recently by Barack, Ori, and Sago, to handle sourcemore » terms of this type. The method allows transformation back to the time domain, with exponential convergence of the partial mode sums that represent the field. This rapid convergence holds even in the region of r traversed by the point mass and includes the time-dependent location of the point mass itself. We present numerical results of mode calculations for certain orbital parameters, including highly accurate energy and angular momentum fluxes at infinity and at the black hole event horizon. We then address the issue of reconstructing the metric perturbation amplitudes from the master functions, the latter being weak solutions of a particular form to the wave equations. The spherical harmonic amplitudes that represent the metric in Regge-Wheeler gauge can themselves be viewed as weak solutions. They are in general a combination of (1) two differentiable solutions that adjoin at the instantaneous location of the point mass (a result that has order of continuity C{sup -1} typically) and (2) (in some cases) a delta function distribution term with a computable time-dependent amplitude.« less

Dissecting Embryonic Stem Cell Self-Renewal and Differentiation Commitment from Quantitative Models.

PubMed

Hu, Rong; Dai, Xianhua; Dai, Zhiming; Xiang, Qian; Cai, Yanning

2016-10-01

To model quantitatively embryonic stem cell (ESC) self-renewal and differentiation by computational approaches, we developed a unified mathematical model for gene expression involved in cell fate choices. Our quantitative model comprised ESC master regulators and lineage-specific pivotal genes. It took the factors of multiple pathways as input and computed expression as a function of intrinsic transcription factors, extrinsic cues, epigenetic modifications, and antagonism between ESC master regulators and lineage-specific pivotal genes. In the model, the differential equations of expression of genes involved in cell fate choices from regulation relationship were established according to the transcription and degradation rates. We applied this model to the Murine ESC self-renewal and differentiation commitment and found that it modeled the expression patterns with good accuracy. Our model analysis revealed that Murine ESC was an attractor state in culture and differentiation was predominantly caused by antagonism between ESC master regulators and lineage-specific pivotal genes. Moreover, antagonism among lineages played a critical role in lineage reprogramming. Our results also uncovered that the ordered expression alteration of ESC master regulators over time had a central role in ESC differentiation fates. Our computational framework was generally applicable to most cell-type maintenance and lineage reprogramming.

FAST TRACK COMMUNICATION: Semiclassical Klein Kramers and Smoluchowski equations for the Brownian motion of a particle in an external potential

NASA Astrophysics Data System (ADS)

Coffey, W. T.; Kalmykov, Yu P.; Titov, S. V.; Mulligan, B. P.

2007-01-01

The quantum Brownian motion of a particle in an external potential V(x) is treated using the master equation for the Wigner distribution function W(x, p, t) in phase space (x, p). A heuristic method of determination of diffusion coefficients in the master equation is proposed. The time evolution equation so obtained contains explicit quantum correction terms up to o(planck4) and in the classical limit, planck → 0, reduces to the Klein-Kramers equation. For a quantum oscillator, the method yields an evolution equation for W(x, p, t) coinciding with that of Agarwal (1971 Phys. Rev. A 4 739). In the non-inertial regime, by applying the Brinkman expansion of the momentum distribution in Weber functions (Brinkman 1956 Physica 22 29), the corresponding semiclassical Smoluchowski equation is derived.

Accurate hybrid stochastic simulation of a system of coupled chemical or biochemical reactions.

PubMed

Salis, Howard; Kaznessis, Yiannis

2005-02-01

The dynamical solution of a well-mixed, nonlinear stochastic chemical kinetic system, described by the Master equation, may be exactly computed using the stochastic simulation algorithm. However, because the computational cost scales with the number of reaction occurrences, systems with one or more "fast" reactions become costly to simulate. This paper describes a hybrid stochastic method that partitions the system into subsets of fast and slow reactions, approximates the fast reactions as a continuous Markov process, using a chemical Langevin equation, and accurately describes the slow dynamics using the integral form of the "Next Reaction" variant of the stochastic simulation algorithm. The key innovation of this method is its mechanism of efficiently monitoring the occurrences of slow, discrete events while simultaneously simulating the dynamics of a continuous, stochastic or deterministic process. In addition, by introducing an approximation in which multiple slow reactions may occur within a time step of the numerical integration of the chemical Langevin equation, the hybrid stochastic method performs much faster with only a marginal decrease in accuracy. Multiple examples, including a biological pulse generator and a large-scale system benchmark, are simulated using the exact and proposed hybrid methods as well as, for comparison, a previous hybrid stochastic method. Probability distributions of the solutions are compared and the weak errors of the first two moments are computed. In general, these hybrid methods may be applied to the simulation of the dynamics of a system described by stochastic differential, ordinary differential, and Master equations.

Lattice gas models for particle systems in an underdamped hopping regime

NASA Astrophysics Data System (ADS)

Gobron, Thierry

A model in which the state of the particle is described by a multicomponent vector, each possible kinetic state for the particle being associated with one of the components is presented. A master equation describes the evolution of the probability distribution in an independent particle model. From the master equation and with the help of the symmetry group that leaves the state transition operator invariant, physical quantities such as the diffusion constant are explicitly calculated for several lattices in one, two, and three dimensions. A Boltzmann equation is established and compared to the Rice and Roth proposal.

Kraus operator solutions to a fermionic master equation describing a thermal bath and their matrix representation

NASA Astrophysics Data System (ADS)

Xiang-Guo, Meng; Ji-Suo, Wang; Hong-Yi, Fan; Cheng-Wei, Xia

2016-04-01

We solve the fermionic master equation for a thermal bath to obtain its explicit Kraus operator solutions via the fermionic state approach. The normalization condition of the Kraus operators is proved. The matrix representation for these solutions is obtained, which is incongruous with the result in the book completed by Nielsen and Chuang [Quantum Computation and Quantum Information, Cambridge University Press, 2000]. As especial cases, we also present the Kraus operator solutions to master equations for describing the amplitude-decay model and the diffusion process at finite temperature. Project supported by the National Natural Science Foundation of China (Grant No. 11347026), the Natural Science Foundation of Shandong Province, China (Grant Nos. ZR2013AM012 and ZR2012AM004), and the Research Fund for the Doctoral Program and Scientific Research Project of Liaocheng University, Shandong Province, China.

Solving the master equation without kinetic Monte Carlo: Tensor train approximations for a CO oxidation model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gelß, Patrick, E-mail: p.gelss@fu-berlin.de; Matera, Sebastian, E-mail: matera@math.fu-berlin.de; Schütte, Christof, E-mail: schuette@mi.fu-berlin.de

2016-06-01

In multiscale modeling of heterogeneous catalytic processes, one crucial point is the solution of a Markovian master equation describing the stochastic reaction kinetics. Usually, this is too high-dimensional to be solved with standard numerical techniques and one has to rely on sampling approaches based on the kinetic Monte Carlo method. In this study we break the curse of dimensionality for the direct solution of the Markovian master equation by exploiting the Tensor Train Format for this purpose. The performance of the approach is demonstrated on a first principles based, reduced model for the CO oxidation on the RuO{sub 2}(110) surface.more » We investigate the complexity for increasing system size and for various reaction conditions. The advantage over the stochastic simulation approach is illustrated by a problem with increased stiffness.« less

Asymptotic orderings and approximations of the Master kinetic equation for large hard spheres systems

NASA Astrophysics Data System (ADS)

Tessarotto, Massimo; Asci, Claudio

2017-05-01

In this paper the problem is posed of determining the physically-meaningful asymptotic orderings holding for the statistical description of a large N-body system of hard spheres, i.e., formed by N ≡1/ε ≫ 1 particles, which are allowed to undergo instantaneous and purely elastic unary, binary or multiple collisions. Starting point is the axiomatic treatment recently developed [Tessarotto et al., 2013-2016] and the related discovery of an exact kinetic equation realized by Master equation which advances in time the 1-body probability density function (PDF) for such a system. As shown in the paper the task involves introducing appropriate asymptotic orderings in terms of ε for all the physically-relevant parameters. The goal is that of identifying the relevant physically-meaningful asymptotic approximations applicable for the Master kinetic equation, together with their possible relationships with the Boltzmann and Enskog kinetic equations, and holding in appropriate asymptotic regimes. These correspond either to dilute or dense systems and are formed either by small-size or finite-size identical hard spheres, the distinction between the various cases depending on suitable asymptotic orderings in terms of ε.

46 CFR 11.463 - General requirements for endorsements as master, mate (pilot), and apprentice mate (steersman) of...

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 1 2013-10-01 2013-10-01 false General requirements for endorsements as master, mate... Professional Requirements for Deck Officers § 11.463 General requirements for endorsements as master, mate... endorsements: (1) Master of towing vessels. (2) Master of towing vessels, limited. (3) Mate (pilot) of towing...

46 CFR 11.463 - General requirements for endorsements as master, mate (pilot), and apprentice mate (steersman) of...

Code of Federal Regulations, 2012 CFR

2012-10-01

... 46 Shipping 1 2012-10-01 2012-10-01 false General requirements for endorsements as master, mate... Professional Requirements for Deck Officers § 11.463 General requirements for endorsements as master, mate... endorsements: (1) Master of towing vessels. (2) Master of towing vessels, limited. (3) Mate (pilot) of towing...

46 CFR 11.463 - General requirements for endorsements as master, mate (pilot), and apprentice mate (steersman) of...

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 1 2010-10-01 2010-10-01 false General requirements for endorsements as master, mate... Professional Requirements for Deck Officers § 11.463 General requirements for endorsements as master, mate... endorsements: (1) Master of towing vessels. (2) Master of towing vessels, limited. (3) Mate (pilot) of towing...

46 CFR 11.463 - General requirements for endorsements as master, mate (pilot), and apprentice mate (steersman) of...

Code of Federal Regulations, 2011 CFR

2011-10-01

... 46 Shipping 1 2011-10-01 2011-10-01 false General requirements for endorsements as master, mate... Professional Requirements for Deck Officers § 11.463 General requirements for endorsements as master, mate... endorsements: (1) Master of towing vessels. (2) Master of towing vessels, limited. (3) Mate (pilot) of towing...

Theory of strong turbulence by renormalization

NASA Technical Reports Server (NTRS)

Tchen, C. M.

1981-01-01

The hydrodynamical equations of turbulent motions are inhomogeneous and nonlinear in their inertia and force terms and will generate a hierarchy. A kinetic method was developed to transform the hydrodynamic equations into a master equation governing the velocity distribution, as a function of the time, the position and the velocity as an independent variable. The master equation presents the advantage of being homogeneous and having fewer nonlinear terms and is therefore simpler for the investigation of closure. After the closure by means of a cascade scaling procedure, the kinetic equation is derived and possesses a memory which represents the nonMarkovian character of turbulence. The kinetic equation is transformed back to the hydrodynamical form to yield an energy balance in the cascade form. Normal and anomalous transports are analyzed. The theory is described for incompressible, compressible and plasma turbulence. Applications of the method to problems relating to sound generation and the propagation of light in a nonfrozen turbulence are considered.

Decoherence and lead-induced interdot coupling in nonequilibrium electron transport through interacting quantum dots: A hierarchical quantum master equation approach

NASA Astrophysics Data System (ADS)

Härtle, R.; Cohen, G.; Reichman, D. R.; Millis, A. J.

2013-12-01

The interplay between interference effects and electron-electron interactions in electron transport through an interacting double quantum dot system is investigated using a hierarchical quantum master equation approach which becomes exact if carried to infinite order and converges well if the temperature is not too low. Decoherence due to electron-electron interactions is found to give rise to pronounced negative differential resistance, enhanced broadening of structures in current-voltage characteristics, and an inversion of the electronic population. Dependence on gate voltage is shown to be a useful method of distinguishing decoherence-induced phenomena from effects induced by other mechanisms such as the presence of a blocking state. Comparison of results obtained by the hierarchical quantum master equation approach to those obtained from the Born-Markov approximation to the Nakajima-Zwanzig equation and from the noncrossing approximation to the nonequilibrium Green's function reveals the importance of an interdot coupling that originates from the energy dependence of the conduction bands in the leads and the need for a systematic perturbative expansion.

Approach to equilibrium of a quantum system and generalization of the Montroll-Shuler equation for vibrational relaxation of a molecular oscillator

NASA Astrophysics Data System (ADS)

Kenkre, V. M.; Chase, M.

2017-08-01

The approach to equilibrium of a quantum mechanical system in interaction with a bath is studied from a practical as well as a conceptual point of view. Explicit memory functions are derived for given models of bath couplings. If the system is a harmonic oscillator representing a molecule in interaction with a reservoir, the generalized master equation derived becomes an extension into the coherent domain of the well-known Montroll-Shuler equation for vibrational relaxation and unimolecular dissociation. A generalization of the Bethe-Teller result regarding energy relaxation is found for short times. The theory has obvious applications to relaxation dynamics at ultra-short times as in observations on the femtosecond time scale and to the investigation of quantum coherence at those short times. While vibrational relaxation in chemical physics is a primary target of the study, another system of interest in condensed matter physics, an electron or hole in a lattice subjected to a strong DC electric field that gives rise to well-known Wannier-Stark ladders, is naturally addressed with the theory. Specific system-bath interactions are explored to obtain explicit details of the dynamics. General phenomenological descriptions of the reservoir are considered rather than specific microscopic realizations.

A Simple "Boxed Molecular Kinetics" Approach To Accelerate Rare Events in the Stochastic Kinetic Master Equation.

PubMed

Shannon, Robin; Glowacki, David R

2018-02-15

The chemical master equation is a powerful theoretical tool for analyzing the kinetics of complex multiwell potential energy surfaces in a wide range of different domains of chemical kinetics spanning combustion, atmospheric chemistry, gas-surface chemistry, solution phase chemistry, and biochemistry. There are two well-established methodologies for solving the chemical master equation: a stochastic "kinetic Monte Carlo" approach and a matrix-based approach. In principle, the results yielded by both approaches are identical; the decision of which approach is better suited to a particular study depends on the details of the specific system under investigation. In this Article, we present a rigorous method for accelerating stochastic approaches by several orders of magnitude, along with a method for unbiasing the accelerated results to recover the "true" value. The approach we take in this paper is inspired by the so-called "boxed molecular dynamics" (BXD) method, which has previously only been applied to accelerate rare events in molecular dynamics simulations. Here we extend BXD to design a simple algorithmic strategy for accelerating rare events in stochastic kinetic simulations. Tests on a number of systems show that the results obtained using the BXD rare event strategy are in good agreement with unbiased results. To carry out these tests, we have implemented a kinetic Monte Carlo approach in MESMER, which is a cross-platform, open-source, and freely available master equation solver.

Exact results in the large system size limit for the dynamics of the chemical master equation, a one dimensional chain of equations.

PubMed

Martirosyan, A; Saakian, David B

2011-08-01

We apply the Hamilton-Jacobi equation (HJE) formalism to solve the dynamics of the chemical master equation (CME). We found exact analytical expressions (in large system-size limit) for the probability distribution, including explicit expression for the dynamics of variance of distribution. We also give the solution for some simple cases of the model with time-dependent rates. We derived the results of the Van Kampen method from the HJE approach using a special ansatz. Using the Van Kampen method, we give a system of ordinary differential equations (ODEs) to define the variance in a two-dimensional case. We performed numerics for the CME with stationary noise. We give analytical criteria for the disappearance of bistability in the case of stationary noise in one-dimensional CMEs.

Quantum angular momentum diffusion of rigid bodies

NASA Astrophysics Data System (ADS)

Papendell, Birthe; Stickler, Benjamin A.; Hornberger, Klaus

2017-12-01

We show how to describe the diffusion of the quantized angular momentum vector of an arbitrarily shaped rigid rotor as induced by its collisional interaction with an environment. We present the general form of the Lindblad-type master equation and relate it to the orientational decoherence of an asymmetric nanoparticle in the limit of small anisotropies. The corresponding diffusion coefficients are derived for gas particles scattering off large molecules and for ambient photons scattering off dielectric particles, using the elastic scattering amplitudes.

Automatic numerical evaluation of vacancy-mediated transport for arbitrary crystals: Onsager coefficients in the dilute limit using a Green function approach

NASA Astrophysics Data System (ADS)

Trinkle, Dallas R.

2017-10-01

A general solution for vacancy-mediated diffusion in the dilute-vacancy/dilute-solute limit for arbitrary crystal structures is derived from the master equation. A general numerical approach to the vacancy lattice Green function reduces to the sum of a few analytic functions and numerical integration of a smooth function over the Brillouin zone for arbitrary crystals. The Dyson equation solves for the Green function in the presence of a solute with arbitrary but finite interaction range to compute the transport coefficients accurately, efficiently and automatically, including cases with very large differences in solute-vacancy exchange rates. The methodology takes advantage of the space group symmetry of a crystal to reduce the complexity of the matrix inversion in the Dyson equation. An open-source implementation of the algorithm is available, and numerical results are presented for the convergence of the integration error of the bare vacancy Green function, and tracer correlation factors for a variety of crystals including wurtzite (hexagonal diamond) and garnet.

Master equation for a kinetic model of a trading market and its analytic solution

NASA Astrophysics Data System (ADS)

Chatterjee, Arnab; Chakrabarti, Bikas K.; Stinchcombe, Robin B.

2005-08-01

We analyze an ideal-gas-like model of a trading market with quenched random saving factors for its agents and show that the steady state income (m) distribution P(m) in the model has a power law tail with Pareto index ν exactly equal to unity, confirming the earlier numerical studies on this model. The analysis starts with the development of a master equation for the time development of P(m) . Precise solutions are then obtained in some special cases.

Master equation for a kinetic model of a trading market and its analytic solution.

PubMed

Chatterjee, Arnab; Chakrabarti, Bikas K; Stinchcombe, Robin B

2005-08-01

We analyze an ideal-gas-like model of a trading market with quenched random saving factors for its agents and show that the steady state income (m) distribution P(m) in the model has a power law tail with Pareto index nu exactly equal to unity, confirming the earlier numerical studies on this model. The analysis starts with the development of a master equation for the time development of P(m) . Precise solutions are then obtained in some special cases.

Fourier's law of heat conduction: quantum mechanical master equation analysis.

PubMed

Wu, Lian-Ao; Segal, Dvira

2008-06-01

We derive the macroscopic Fourier's Law of heat conduction from the exact gain-loss time convolutionless quantum master equation under three assumptions for the interaction kernel. To second order in the interaction, we show that the first two assumptions are natural results of the long time limit. The third assumption can be satisfied by a family of interactions consisting of an exchange effect. The pure exchange model directly leads to energy diffusion in a weakly coupled spin- 12 chain.

Molecular finite-size effects in stochastic models of equilibrium chemical systems.

PubMed

Cianci, Claudia; Smith, Stephen; Grima, Ramon

2016-02-28

The reaction-diffusion master equation (RDME) is a standard modelling approach for understanding stochastic and spatial chemical kinetics. An inherent assumption is that molecules are point-like. Here, we introduce the excluded volume reaction-diffusion master equation (vRDME) which takes into account volume exclusion effects on stochastic kinetics due to a finite molecular radius. We obtain an exact closed form solution of the RDME and of the vRDME for a general chemical system in equilibrium conditions. The difference between the two solutions increases with the ratio of molecular diameter to the compartment length scale. We show that an increase in the fraction of excluded space can (i) lead to deviations from the classical inverse square root law for the noise-strength, (ii) flip the skewness of the probability distribution from right to left-skewed, (iii) shift the equilibrium of bimolecular reactions so that more product molecules are formed, and (iv) strongly modulate the Fano factors and coefficients of variation. These volume exclusion effects are found to be particularly pronounced for chemical species not involved in chemical conservation laws. Finally, we show that statistics obtained using the vRDME are in good agreement with those obtained from Brownian dynamics with excluded volume interactions.

Extended forms of the second law for general time-dependent stochastic processes.

PubMed

Ge, Hao

2009-08-01

The second law of thermodynamics represents a universal principle applicable to all natural processes, physical systems, and engineering devices. Hatano and Sasa have recently put forward an extended form of the second law for transitions between nonequilibrium stationary states [Phys. Rev. Lett. 86, 3463 (2001)]. In this paper we further extend this form to an instantaneous interpretation, which is satisfied by quite general time-dependent stochastic processes including master-equation models and Langevin dynamics without the requirements of the stationarity for the initial and final states. The theory is applied to several thermodynamic processes, and its consistence with the classical thermodynamics is shown.

Numerical simulation of incoherent optical wave propagation in nonlinear fibers

NASA Astrophysics Data System (ADS)

Fernandez, Arnaud; Balac, Stéphane; Mugnier, Alain; Mahé, Fabrice; Texier-Picard, Rozenn; Chartier, Thierry; Pureur, David

2013-11-01

The present work concerns the study of pulsed laser systems containing a fiber amplifier for boosting optical output power. In this paper, this fiber amplification device is included into a MOPFA laser, a master oscillator coupled with fiber amplifier, usually a cladding-pumped high-power amplifier often based on an ytterbium-doped fiber. An experimental study has established that the observed nonlinear effects (such as Kerr effect, four waves mixing, Raman effect) could behave very differently depending on the characteristics of the optical source emitted by the master laser. However, it has not yet been possible to determine from the experimental data if the statistics of the photons is alone responsible for the various nonlinear scenarios observed. Therefore, we have developed a numerical simulation software for solving the generalized nonlinear Schrödinger equation with a stochastic source term in order to validate the hypothesis that the coherence properties of the master laser are mainly liable for the behavior of the observed nonlinear effects. Contribution to the Topical Issue "Numelec 2012", Edited by Adel Razek.

Calculating work in weakly driven quantum master equations: Backward and forward equations

NASA Astrophysics Data System (ADS)

Liu, Fei

2016-01-01

I present a technical report indicating that the two methods used for calculating characteristic functions for the work distribution in weakly driven quantum master equations are equivalent. One involves applying the notion of quantum jump trajectory [Phys. Rev. E 89, 042122 (2014), 10.1103/PhysRevE.89.042122], while the other is based on two energy measurements on the combined system and reservoir [Silaev et al., Phys. Rev. E 90, 022103 (2014), 10.1103/PhysRevE.90.022103]. These represent backward and forward methods, respectively, which adopt a very similar approach to that of the Kolmogorov backward and forward equations used in classical stochastic theory. The microscopic basis for the former method is also clarified. In addition, a previously unnoticed equality related to the heat is also revealed.

Two-dimensional electronic spectra from the hierarchical equations of motion method: Application to model dimers

NASA Astrophysics Data System (ADS)

Chen, Liping; Zheng, Renhui; Shi, Qiang; Yan, YiJing

2010-01-01

We extend our previous study of absorption line shapes of molecular aggregates using the Liouville space hierarchical equations of motion (HEOM) method [L. P. Chen, R. H. Zheng, Q. Shi, and Y. J. Yan, J. Chem. Phys. 131, 094502 (2009)] to calculate third order optical response functions and two-dimensional electronic spectra of model dimers. As in our previous work, we have focused on the applicability of several approximate methods related to the HEOM method. We show that while the second order perturbative quantum master equations are generally inaccurate in describing the peak shapes and solvation dynamics, they can give reasonable peak amplitude evolution even in the intermediate coupling regime. The stochastic Liouville equation results in good peak shapes, but does not properly describe the excited state dynamics due to the lack of detailed balance. A modified version of the high temperature approximation to the HEOM gives the best agreement with the exact result.

Hybrid discrete/continuum algorithms for stochastic reaction networks

DOE PAGES

Safta, Cosmin; Sargsyan, Khachik; Debusschere, Bert; ...

2014-10-22

Direct solutions of the Chemical Master Equation (CME) governing Stochastic Reaction Networks (SRNs) are generally prohibitively expensive due to excessive numbers of possible discrete states in such systems. To enhance computational efficiency we develop a hybrid approach where the evolution of states with low molecule counts is treated with the discrete CME model while that of states with large molecule counts is modeled by the continuum Fokker-Planck equation. The Fokker-Planck equation is discretized using a 2nd order finite volume approach with appropriate treatment of flux components to avoid negative probability values. The numerical construction at the interface between the discretemore » and continuum regions implements the transfer of probability reaction by reaction according to the stoichiometry of the system. As a result, the performance of this novel hybrid approach is explored for a two-species circadian model with computational efficiency gains of about one order of magnitude.« less

Counting statistics for genetic switches based on effective interaction approximation

NASA Astrophysics Data System (ADS)

Ohkubo, Jun

2012-09-01

Applicability of counting statistics for a system with an infinite number of states is investigated. The counting statistics has been studied a lot for a system with a finite number of states. While it is possible to use the scheme in order to count specific transitions in a system with an infinite number of states in principle, we have non-closed equations in general. A simple genetic switch can be described by a master equation with an infinite number of states, and we use the counting statistics in order to count the number of transitions from inactive to active states in the gene. To avoid having the non-closed equations, an effective interaction approximation is employed. As a result, it is shown that the switching problem can be treated as a simple two-state model approximately, which immediately indicates that the switching obeys non-Poisson statistics.

HO + CO reaction rates and H/D kinetic isotope effects: master equation models with ab initio SCTST rate constants.

PubMed

Weston, Ralph E; Nguyen, Thanh Lam; Stanton, John F; Barker, John R

2013-02-07

Ab initio microcanonical rate constants were computed using Semi-Classical Transition State Theory (SCTST) and used in two master equation formulations (1D, depending on active energy with centrifugal corrections, and 2D, depending on total energy and angular momentum) to compute temperature-dependent rate constants for the title reactions using a potential energy surface obtained by sophisticated ab initio calculations. The 2D master equation was used at the P = 0 and P = ∞ limits, while the 1D master equation with centrifugal corrections and an empirical energy transfer parameter could be used over the entire pressure range. Rate constants were computed for 75 K ≤ T ≤ 2500 K and 0 ≤ [He] ≤ 10(23) cm(-3). For all temperatures and pressures important for combustion and for the terrestrial atmosphere, the agreement with the experimental rate constants is very good, but at very high pressures and T ≤ 200 K, the theoretical rate constants are significantly smaller than the experimental values. This effect is possibly due to the presence in the experiments of dimers and prereactive complexes, which were not included in the model calculations. The computed H/D kinetic isotope effects are in acceptable agreement with experimental data, which show considerable scatter. Overall, the agreement between experimental and theoretical H/D kinetic isotope effects is much better than in previous work, and an assumption of non-RRKM behavior does not appear to be needed to reproduce experimental observations.

PsiQuaSP-A library for efficient computation of symmetric open quantum systems.

PubMed

Gegg, Michael; Richter, Marten

2017-11-24

In a recent publication we showed that permutation symmetry reduces the numerical complexity of Lindblad quantum master equations for identical multi-level systems from exponential to polynomial scaling. This is important for open system dynamics including realistic system bath interactions and dephasing in, for instance, the Dicke model, multi-Λ system setups etc. Here we present an object-oriented C++ library that allows to setup and solve arbitrary quantum optical Lindblad master equations, especially those that are permutationally symmetric in the multi-level systems. PsiQuaSP (Permutation symmetry for identical Quantum Systems Package) uses the PETSc package for sparse linear algebra methods and differential equations as basis. The aim of PsiQuaSP is to provide flexible, storage efficient and scalable code while being as user friendly as possible. It is easily applied to many quantum optical or quantum information systems with more than one multi-level system. We first review the basics of the permutation symmetry for multi-level systems in quantum master equations. The application of PsiQuaSP to quantum dynamical problems is illustrated with several typical, simple examples of open quantum optical systems.

The Master Equation for Two-Level Accelerated Systems at Finite Temperature

NASA Astrophysics Data System (ADS)

Tomazelli, J. L.; Cunha, R. O.

2016-10-01

In this work, we study the behaviour of two weakly coupled quantum systems, described by a separable density operator; one of them is a single oscillator, representing a microscopic system, while the other is a set of oscillators which perform the role of a reservoir in thermal equilibrium. From the Liouville-Von Neumann equation for the reduced density operator, we devise the master equation that governs the evolution of the microscopic system, incorporating the effects of temperature via Thermofield Dynamics formalism by suitably redefining the vacuum of the macroscopic system. As applications, we initially investigate the behaviour of a Fermi oscillator in the presence of a heat bath consisting of a set of Fermi oscillators and that of an atomic two-level system interacting with a scalar radiation field, considered as a reservoir, by constructing the corresponding master equation which governs the time evolution of both sub-systems at finite temperature. Finally, we calculate the energy variation rates for the atom and the field, as well as the atomic population levels, both in the inertial case and at constant proper acceleration, considering the two-level system as a prototype of an Unruh detector, for admissible couplings of the radiation field.

Integrodifferential formulations of the continuous-time random walk for solute transport subject to bimolecular A +B →0 reactions: From micro- to mesoscopic

NASA Astrophysics Data System (ADS)

Hansen, Scott K.; Berkowitz, Brian

2015-03-01

We develop continuous-time random walk (CTRW) equations governing the transport of two species that annihilate when in proximity to one another. In comparison with catalytic or spontaneous transformation reactions that have been previously considered in concert with CTRW, both species have spatially variant concentrations that require consideration. We develop two distinct formulations. The first treats transport and reaction microscopically, potentially capturing behavior at sharp fronts, but at the cost of being strongly nonlinear. The second, mesoscopic, formulation relies on a separation-of-scales technique we develop to separate microscopic-scale reaction and upscaled transport. This simplifies the governing equations and allows treatment of more general reaction dynamics, but requires stronger smoothness assumptions of the solution. The mesoscopic formulation is easily tractable using an existing solution from the literature (we also provide an alternative derivation), and the generalized master equation (GME) for particles undergoing A +B →0 reactions is presented. We show that this GME simplifies, under appropriate circumstances, to both the GME for the unreactive CTRW and to the advection-dispersion-reaction equation. An additional major contribution of this work is on the numerical side: to corroborate our development, we develop an indirect particle-tracking-partial-integro-differential-equation (PIDE) hybrid verification technique which could be applicable widely in reactive anomalous transport. Numerical simulations support the mesoscopic analysis.

Resonance fluorescence in the resolvent-operator formalism

NASA Astrophysics Data System (ADS)

Debierre, V.; Harman, Z.

2017-10-01

The Mollow spectrum for the light scattered by a driven two-level atom is derived in the resolvent operator formalism. The derivation is based on the construction of a master equation from the resolvent operator of the atom-field system. We show that the natural linewidth of the excited atomic level remains essentially unmodified, to a very good level of approximation, even in the strong-field regime, where Rabi flopping becomes relevant inside the self-energy loop that yields the linewidth. This ensures that the obtained master equation and the spectrum derived matches that of Mollow.

QuTiP 2: A Python framework for the dynamics of open quantum systems

NASA Astrophysics Data System (ADS)

Johansson, J. R.; Nation, P. D.; Nori, Franco

2013-04-01

We present version 2 of QuTiP, the Quantum Toolbox in Python. Compared to the preceding version [J.R. Johansson, P.D. Nation, F. Nori, Comput. Phys. Commun. 183 (2012) 1760.], we have introduced numerous new features, enhanced performance, and made changes in the Application Programming Interface (API) for improved functionality and consistency within the package, as well as increased compatibility with existing conventions used in other scientific software packages for Python. The most significant new features include efficient solvers for arbitrary time-dependent Hamiltonians and collapse operators, support for the Floquet formalism, and new solvers for Bloch-Redfield and Floquet-Markov master equations. Here we introduce these new features, demonstrate their use, and give a summary of the important backward-incompatible API changes introduced in this version. Catalog identifier: AEMB_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEMB_v2_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: GNU General Public License, version 3 No. of lines in distributed program, including test data, etc.: 33625 No. of bytes in distributed program, including test data, etc.: 410064 Distribution format: tar.gz Programming language: Python. Computer: i386, x86-64. Operating system: Linux, Mac OSX. RAM: 2+ Gigabytes Classification: 7. External routines: NumPy, SciPy, Matplotlib, Cython Catalog identifier of previous version: AEMB_v1_0 Journal reference of previous version: Comput. Phys. Comm. 183 (2012) 1760 Does the new version supercede the previous version?: Yes Nature of problem: Dynamics of open quantum systems Solution method: Numerical solutions to Lindblad, Floquet-Markov, and Bloch-Redfield master equations, as well as the Monte Carlo wave function method. Reasons for new version: Compared to the preceding version we have introduced numerous new features, enhanced performance, and made changes in the Application Programming Interface (API) for improved functionality and consistency within the package, as well as increased compatibility with existing conventions used in other scientific software packages for Python. The most significant new features include efficient solvers for arbitrary time-dependent Hamiltonians and collapse operators, support for the Floquet formalism, and new solvers for Bloch-Redfield and Floquet-Markov master equations. Restrictions: Problems must meet the criteria for using the master equation in Lindblad, Floquet-Markov, or Bloch-Redfield form. Running time: A few seconds up to several tens of hours, depending on size of the underlying Hilbert space.

Recursion Operators and Bi-Hamiltonian Structures in Multidimensions II,

DTIC Science & Technology

1986-07-01

a Symmifetry (1.2). For example the Kadomtsev - Petviashvili (KP) equation and the Davey-Stewartson (DS) equation admit two such hierarchies of...Degasperis, Nuovo Cimento, 398, 1 (1977). [16] P. Caudrey, Discrete and Periodic Spectral Transforms Related to the Kadomtsev - Petviashvili Equation ...these equations possess infinitely many time dependent symmetries and constants of motion. The master symmetries T for these equations are simply derived

One parameter family of master equations for logistic growth and BCM theory

NASA Astrophysics Data System (ADS)

De Oliveira, L. R.; Castellani, C.; Turchetti, G.

2015-02-01

We propose a one parameter family of master equations, for the evolution of a population, having the logistic equation as mean field limit. The parameter α determines the relative weight of linear versus nonlinear terms in the population number n ⩽ N entering the loss term. By varying α from 0 to 1 the equilibrium distribution changes from maximum growth to almost extinction. The former is a Gaussian centered at n = N, the latter is a power law peaked at n = 1. A bimodal distribution is observed in the transition region. When N grows and tends to ∞, keeping the value of α fixed, the distribution tends to a Gaussian centered at n = N whose limit is a delta function corresponding to the stable equilibrium of the mean field equation. The choice of the master equation in this family depends on the equilibrium distribution for finite values of N. The presence of an absorbing state for n = 0 does not change this picture since the extinction mean time grows exponentially fast with N. As a consequence for α close to zero extinction is not observed, whereas when α approaches 1 the relaxation to a power law is observed before extinction occurs. We extend this approach to a well known model of synaptic plasticity, the so called BCM theory in the case of a single neuron with one or two synapses.

The diversity and unit of reactor noise theory

NASA Astrophysics Data System (ADS)

Kuang, Zhifeng

The study of reactor noise theory concerns questions about cause and effect relationships, and utilisation of random noise in nuclear reactor systems. The diversity of reactor noise theory arises from the variety of noise sources, the various mathematical treatments applied and various practical purposes. The neutron noise in zero- energy systems arises from the fluctuations in the number of neutrons per fission, the time between nuclear events, and the type of reactions. It can be used to evaluate system parameters. The mathematical treatment is based on the master equation of stochastic branching processes. The noise in power reactor systems is given rise by random processes of technological origin such as vibration of mechanical parts, boiling of the coolant, fluctuations of temperature and pressure. It can be used to monitor reactor behaviour with the possibility of detecting malfunctions at an early stage. The mathematical treatment is based on the Langevin equation. The unity of reactor noise theory arises from the fact that useful information from noise is embedded in the second moments of random variables, which lends the possibility of building up a unified mathematical description and analysis of the various reactor noise sources. Exploring such possibilities is the main subject among the three major topics reported in this thesis. The first subject is within the zero power noise in steady media, and we reported on the extension of the existing theory to more general cases. In Paper I, by use of the master equation approach, we have derived the most general Feynman- and Rossi-alpha formulae so far by taking the full joint statistics of the prompt and all the six groups of delayed neutron precursors, and a multiple emission source into account. The involved problems are solved with a combination of effective analytical techniques and symbolic algebra codes (Mathematica). Paper II gives a numerical evaluation of these formulae. An assessment of the contribution of the terms that are novel as compared to the traditional formulae has been made. The second subject treats a problem in power reactor noise with the Langevin formalism. With a very few exceptions, in all previous work the diffusion approximation was used. In order to extend the treatment to transport theory, in Paper III, we introduced a novel method, i.e. Padé approximation via Lanczos algorithm to calculate the transfer function of a finite slab reactor described by one-group transport equation. It was found that the local-global decomposition of the neutron noise, formerly only reproduced in at least 2- group theory, can be reconstructed. We have also showed the existence of a boundary layer of the neutron noise close to the boundary. Finally, we have explored the possibility of building up a unified theory to account for the coexistence of zero power and power reactor noise in a system. In Paper IV, a unified description of the neutron noise is given by the use of backward master equations in a model where the cross section fluctuations are given as a simple binary pseudorandom process. The general solution contains both the zero power and power reactor noise concurrently, and they can be extracted individually as limiting cases of the general solution. It justified the separate treatments of zero power and power reactor noise. The result was extended to the case including one group of delayed neutron precursors in Paper V.

Resonant Perturbation Theory of Decoherence and Relaxation of Quantum Bits

DOE PAGES

Merkli, M.; Berman, G. P.; Sigal, I. M.

2010-01-01

We describe our recenmore » t results on the resonant perturbation theory of decoherence and relaxation for quantum systems with many qubits. The approach represents a rigorous analysis of the phenomenon of decoherence and relaxation for general N -level systems coupled to reservoirs of bosonic fields. We derive a representation of the reduced dynamics valid for all times t ≥ 0 and for small but fixed interaction strength. Our approach does not involve master equation approximations and applies to a wide variety of systems which are not explicitly solvable.« less

Dark channels in resonant tunneling transport through artificial atoms.

PubMed

Vaz, Eduardo; Kyriakidis, Jordan

2008-07-14

We investigate sequential tunneling through a multilevel quantum dot confining multiple electrons in the regime where several channels are available for transport within the bias window. By analyzing solutions to the master equations of the reduced density matrix, we give general conditions on when the presence of a second transport channel in the bias window quenches transport through the quantum dot. These conditions are in terms of distinct tunneling anisotropies which may aid in explaining the occurrence of negative differential conductance in quantum dots in the nonlinear regime.

Quantum simulation of dissipative processes without reservoir engineering

DOE PAGES

Di Candia, R.; Pedernales, J. S.; del Campo, A.; ...

2015-05-29

We present a quantum algorithm to simulate general finite dimensional Lindblad master equations without the requirement of engineering the system-environment interactions. The proposed method is able to simulate both Markovian and non-Markovian quantum dynamics. It consists in the quantum computation of the dissipative corrections to the unitary evolution of the system of interest, via the reconstruction of the response functions associated with the Lindblad operators. Our approach is equally applicable to dynamics generated by effectively non-Hermitian Hamiltonians. We confirm the quality of our method providing specific error bounds that quantify its accuracy.

Memory Effects and Nonequilibrium Correlations in the Dynamics of Open Quantum Systems

NASA Astrophysics Data System (ADS)

Morozov, V. G.

2018-01-01

We propose a systematic approach to the dynamics of open quantum systems in the framework of Zubarev's nonequilibrium statistical operator method. The approach is based on the relation between ensemble means of the Hubbard operators and the matrix elements of the reduced statistical operator of an open quantum system. This key relation allows deriving master equations for open systems following a scheme conceptually identical to the scheme used to derive kinetic equations for distribution functions. The advantage of the proposed formalism is that some relevant dynamical correlations between an open system and its environment can be taken into account. To illustrate the method, we derive a non-Markovian master equation containing the contribution of nonequilibrium correlations associated with energy conservation.

Quantum transport under ac drive from the leads: A Redfield quantum master equation approach

NASA Astrophysics Data System (ADS)

Purkayastha, Archak; Dubi, Yonatan

2017-08-01

Evaluating the time-dependent dynamics of driven open quantum systems is relevant for a theoretical description of many systems, including molecular junctions, quantum dots, cavity-QED experiments, cold atoms experiments, and more. Here, we formulate a rigorous microscopic theory of an out-of-equilibrium open quantum system of noninteracting particles on a lattice weakly coupled bilinearly to multiple baths and driven by periodically varying thermodynamic parameters like temperature and chemical potential of the bath. The particles can be either bosonic or fermionic and the lattice can be of any dimension and geometry. Based on the Redfield quantum master equation under Born-Markov approximation, we derive a linear differential equation for an equal time two point correlation matrix, sometimes also called a single-particle density matrix, from which various physical observables, for example, current, can be calculated. Various interesting physical effects, such as resonance, can be directly read off from the equations. Thus, our theory is quite general and gives quite transparent and easy-to-calculate results. We validate our theory by comparing with exact numerical simulations. We apply our method to a generic open quantum system, namely, a double quantum dot coupled to leads with modulating chemical potentials. The two most important experimentally relevant insights from this are as follows: (i) Time-dependent measurements of current for symmetric oscillating voltages (with zero instantaneous voltage bias) can point to the degree of asymmetry in the system-bath coupling and (ii) under certain conditions time-dependent currents can exceed time-averaged currents by several orders of magnitude, and can therefore be detected even when the average current is below the measurement threshold.

Deterministic analysis of extrinsic and intrinsic noise in an epidemiological model.

PubMed

Bayati, Basil S

2016-05-01

We couple a stochastic collocation method with an analytical expansion of the canonical epidemiological master equation to analyze the effects of both extrinsic and intrinsic noise. It is shown that depending on the distribution of the extrinsic noise, the master equation yields quantitatively different results compared to using the expectation of the distribution for the stochastic parameter. This difference is incident to the nonlinear terms in the master equation, and we show that the deviation away from the expectation of the extrinsic noise scales nonlinearly with the variance of the distribution. The method presented here converges linearly with respect to the number of particles in the system and exponentially with respect to the order of the polynomials used in the stochastic collocation calculation. This makes the method presented here more accurate than standard Monte Carlo methods, which suffer from slow, nonmonotonic convergence. In epidemiological terms, the results show that extrinsic fluctuations should be taken into account since they effect the speed of disease breakouts and that the gamma distribution should be used to model the basic reproductive number.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Field, Scott E.; Hesthaven, Jan S.; Lau, Stephen R.

In the context of metric perturbation theory for nonspinning black holes, extreme mass ratio binary systems are described by distributionally forced master wave equations. Numerical solution of a master wave equation as an initial boundary value problem requires initial data. However, because the correct initial data for generic-orbit systems is unknown, specification of trivial initial data is a common choice, despite being inconsistent and resulting in a solution which is initially discontinuous in time. As is well known, this choice leads to a burst of junk radiation which eventually propagates off the computational domain. We observe another potential consequence ofmore » trivial initial data: development of a persistent spurious solution, here referred to as the Jost junk solution, which contaminates the physical solution for long times. This work studies the influence of both types of junk on metric perturbations, waveforms, and self-force measurements, and it demonstrates that smooth modified source terms mollify the Jost solution and reduce junk radiation. Our concluding section discusses the applicability of these observations to other numerical schemes and techniques used to solve distributionally forced master wave equations.« less

Theoretical analysis of the overtone-induced isomerization of methyl isocyanide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller, J.A.; Chandler, D.W.

1986-10-15

A master-equation formalism is applied to the problem of overtone-induced isomerization of CH/sub 3/NC to CH/sub 3/CN. The results are compared to the experiments of Reddy and Berry, who measured the yield of isomerization as a function of pressure after excitation to the fourth and fifth overtones of the CH stretching mode. The master-equation model predicts the yield and the curvature in the yield/sup -1/ vs pressure plots observed in the experiments. For the lower overtone (50) the results are consistent with a simple strong-collider model. However, even under strong-collider conditions the yield is very sensitive to the parameters inmore » the master equation. For the upper overtone (60) the data do not fit a strong collider model and multistep deactivation dominates. We are able to determine from the data the average energy transferred in a collision by assuming a particular form for the energy-transfer function. In addition, the effect of changing the shape of the energy-transfer function is investigated.« less

The effect of memory in the stochastic master equation analyzed using the stochastic Liouville equation of motion. Electronic energy migration transfer between reorienting donor-donor, donor-acceptor chromophores

NASA Astrophysics Data System (ADS)

Håkansson, Pär; Westlund, Per-Olof

2005-01-01

This paper discusses the process of energy migration transfer within reorientating chromophores using the stochastic master equation (SME) and the stochastic Liouville equation (SLE) of motion. We have found that the SME over-estimates the rate of the energy migration compared to the SLE solution for a case of weakly interacting chromophores. This discrepancy between SME and SLE is caused by a memory effect occurring when fluctuations in the dipole-dipole Hamiltonian ( H( t)) are on the same timescale as the intrinsic fast transverse relaxation rate characterized by (1/ T2). Thus the timescale critical for energy-transfer experiments is T2≈10 -13 s. An extended SME is constructed, accounting for the memory effect of the dipole-dipole Hamiltonian dynamics. The influence of memory on the interpretation of experiments is discussed.

Persistent random walk of cells involving anomalous effects and random death

NASA Astrophysics Data System (ADS)

Fedotov, Sergei; Tan, Abby; Zubarev, Andrey

2015-04-01

The purpose of this paper is to implement a random death process into a persistent random walk model which produces sub-ballistic superdiffusion (Lévy walk). We develop a stochastic two-velocity jump model of cell motility for which the switching rate depends upon the time which the cell has spent moving in one direction. It is assumed that the switching rate is a decreasing function of residence (running) time. This assumption leads to the power law for the velocity switching time distribution. This describes the anomalous persistence of cell motility: the longer the cell moves in one direction, the smaller the switching probability to another direction becomes. We derive master equations for the cell densities with the generalized switching terms involving the tempered fractional material derivatives. We show that the random death of cells has an important implication for the transport process through tempering of the superdiffusive process. In the long-time limit we write stationary master equations in terms of exponentially truncated fractional derivatives in which the rate of death plays the role of tempering of a Lévy jump distribution. We find the upper and lower bounds for the stationary profiles corresponding to the ballistic transport and diffusion with the death-rate-dependent diffusion coefficient. Monte Carlo simulations confirm these bounds.

Recent progress in irrational conformal field theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Halpern, M.B.

1993-09-01

In this talk, I will review the foundations of irrational conformal field theory (ICFT), which includes rational conformal field theory as a small subspace. Highlights of the review include the Virasoro master equation, the Ward identities for the correlators of ICFT and solutions of the Ward identities. In particular, I will discuss the solutions for the correlators of the g/h coset construction and the correlators of the affine-Sugawara nests on g {contains} h{sub 1} {contains} {hor_ellipsis} {contains} h{sub n}. Finally, I will discuss the recent global solution for the correlators of all the ICFT`s in the master equation.

Mapping of uncertainty relations between continuous and discrete time

NASA Astrophysics Data System (ADS)

Chiuchiú, Davide; Pigolotti, Simone

2018-03-01

Lower bounds on fluctuations of thermodynamic currents depend on the nature of time, discrete or continuous. To understand the physical reason, we compare current fluctuations in discrete-time Markov chains and continuous-time master equations. We prove that current fluctuations in the master equations are always more likely, due to random timings of transitions. This comparison leads to a mapping of the moments of a current between discrete and continuous time. We exploit this mapping to obtain uncertainty bounds. Our results reduce the quests for uncertainty bounds in discrete and continuous time to a single problem.

Mapping of uncertainty relations between continuous and discrete time.

PubMed

Chiuchiù, Davide; Pigolotti, Simone

2018-03-01

Lower bounds on fluctuations of thermodynamic currents depend on the nature of time, discrete or continuous. To understand the physical reason, we compare current fluctuations in discrete-time Markov chains and continuous-time master equations. We prove that current fluctuations in the master equations are always more likely, due to random timings of transitions. This comparison leads to a mapping of the moments of a current between discrete and continuous time. We exploit this mapping to obtain uncertainty bounds. Our results reduce the quests for uncertainty bounds in discrete and continuous time to a single problem.

46 CFR 11.463 - General requirements for national endorsements as master, mate (pilot), and apprentice mate...

Code of Federal Regulations, 2014 CFR

2014-10-01

... 46 Shipping 1 2014-10-01 2014-10-01 false General requirements for national endorsements as master... national endorsements as master, mate (pilot), and apprentice mate (steersman) of towing vessels. (a) The Coast Guard issues the following endorsements for towing vessels: (1) Master of towing vessels. (2...

Accurate analytic solution of chemical master equations for gene regulation networks in a single cell

NASA Astrophysics Data System (ADS)

Huang, Guan-Rong; Saakian, David B.; Hu, Chin-Kun

2018-01-01

Studying gene regulation networks in a single cell is an important, interesting, and hot research topic of molecular biology. Such process can be described by chemical master equations (CMEs). We propose a Hamilton-Jacobi equation method with finite-size corrections to solve such CMEs accurately at the intermediate region of switching, where switching rate is comparable to fast protein production rate. We applied this approach to a model of self-regulating proteins [H. Ge et al., Phys. Rev. Lett. 114, 078101 (2015), 10.1103/PhysRevLett.114.078101] and found that as a parameter related to inducer concentration increases the probability of protein production changes from unimodal to bimodal, then to unimodal, consistent with phenotype switching observed in a single cell.

Master-equation approach to the study of phase-change processes in data storage media

NASA Astrophysics Data System (ADS)

Blyuss, K. B.; Ashwin, P.; Bassom, A. P.; Wright, C. D.

2005-07-01

We study the dynamics of crystallization in phase-change materials using a master-equation approach in which the state of the crystallizing material is described by a cluster size distribution function. A model is developed using the thermodynamics of the processes involved and representing the clusters of size two and greater as a continuum but clusters of size one (monomers) as a separate equation. We present some partial analytical results for the isothermal case and for large cluster sizes, but principally we use numerical simulations to investigate the model. We obtain results that are in good agreement with experimental data and the model appears to be useful for the fast simulation of reading and writing processes in phase-change optical and electrical memories.

A many-body states picture of electronic friction: The case of multiple orbitals and multiple electronic states

NASA Astrophysics Data System (ADS)

Dou, Wenjie; Subotnik, Joseph E.

2016-08-01

We present a very general form of electronic friction as present when a molecule with multiple orbitals hybridizes with a metal electrode. To develop this picture of friction, we embed the quantum-classical Liouville equation (QCLE) within a classical master equation (CME). Thus, this article extends our previous work analyzing the case of one electronic level, as we may now treat the case of multiple levels and many electronic molecular states. We show that, in the adiabatic limit, where electron transitions are much faster than nuclear motion, the QCLE-CME reduces to a Fokker-Planck equation, such that nuclei feel an average force as well as friction and a random force—as caused by their interaction with the metallic electrons. Finally, we show numerically and analytically that our frictional results agree with other published results calculated using non-equilibrium Green's functions. Numerical recipes for solving this QCLE-CME will be provided in a subsequent paper.

A many-body states picture of electronic friction: The case of multiple orbitals and multiple electronic states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dou, Wenjie; Subotnik, Joseph E.

We present a very general form of electronic friction as present when a molecule with multiple orbitals hybridizes with a metal electrode. To develop this picture of friction, we embed the quantum-classical Liouville equation (QCLE) within a classical master equation (CME). Thus, this article extends our previous work analyzing the case of one electronic level, as we may now treat the case of multiple levels and many electronic molecular states. We show that, in the adiabatic limit, where electron transitions are much faster than nuclear motion, the QCLE-CME reduces to a Fokker-Planck equation, such that nuclei feel an average forcemore » as well as friction and a random force—as caused by their interaction with the metallic electrons. Finally, we show numerically and analytically that our frictional results agree with other published results calculated using non-equilibrium Green’s functions. Numerical recipes for solving this QCLE-CME will be provided in a subsequent paper.« less

Binding Energies of Proton-Bound Dimers of Imidazole and n-Acetylalanine Methyl Ester Obtained by Blackbody Infrared Radiative Dissociation

PubMed Central

Jockusch, Rebecca A.; Williams*, Evan R.

2005-01-01

The dissociation kinetics of protonated n-acetyl-L-alanine methyl ester dimer (AcAlaMEd), imidazole dimer, and their cross dimer were measured using blackbody infrared radiative dissociation (BIRD). Master equation modeling of these data was used to extract threshold dissociation energies (Eo) for the dimers. Values of 1.18 ± 0.06, 1.11 ± 0.04, and 1.12 ± 0.08 eV were obtained for AcAlaMEd, imidazole dimer, and the cross dimer, respectively. Assuming that the reverse activation barrier for dissociation of the ion–molecule complex is negligible, the value of Eo can be compared to the dissociation enthalpy (ΔHd°) from HPMS data. The Eo values obtained for the imidazole dimer and the cross dimer are in agreement with HPMS values; the value for AcAlaMEd is somewhat lower. Radiative rate constants used in the master equation modeling were determined using transition dipole moments calculated at the semiempirical (AM1) level for all dimers and compared to ab initio (RHF/3-21G*) calculations where possible. To reproduce the experimentally measured dissociation rates using master equation modeling, it was necessary to multiply semiempirical transition dipole moments by a factor between 2 and 3. Values for transition dipole moments from the ab initio calculations could be used for two of the dimers but appear to be too low for AcAlaMEd. These results demonstrate that BIRD, in combination with master equation modeling, can be used to determine threshold dissociation energies for intermediate size ions that are in neither the truncated Boltzmann nor the rapid energy exchange limit. PMID:16604163

Proton-pumping mechanism of cytochrome c oxidase: A kinetic master-equation approach

PubMed Central

Kim, Young C.; Hummer, Gerhard

2011-01-01

Cytochrome c oxidase (CcO) is an efficient energy transducer that reduces oxygen to water and converts the released chemical energy into an electrochemical membrane potential. As a true proton pump, CcO translocates protons across the membrane against this potential. Based on a wealth of experiments and calculations, an increasingly detailed picture of the reaction intermediates in the redox cycle has emerged. However, the fundamental mechanism of proton pumping coupled to redox chemistry remains largely unresolved. Here we examine and extend a kinetic master-equation approach to gain insight into redox-coupled proton pumping in CcO. Basic principles of the CcO proton pump emerge from an analysis of the simplest kinetic models that retain essential elements of the experimentally determined structure, energetics, and kinetics, and that satisfy fundamental physical principles. The master-equation models allow us to address the question of how pumping can be achieved in a system in which all reaction steps are reversible. Whereas proton pumping does not require the direct modulation of microscopic reaction barriers, such kinetic gating greatly increases the pumping efficiency. Further efficiency gains can be achieved by partially decoupling the proton uptake pathway from the ative-site region. Such a mechanism is consistent with the proposed Glu valve, in which the side chain of a key glutamic acid shuttles between the D channel and the active-site region. We also show that the models predict only small proton leaks even in the absence of turnover. The design principles identified here for CcO provide a blueprint for novel biology-inspired fuel cells, and the master-equation formulation should prove useful also for other molecular machines. PMID:21946020

Master equation theory applied to the redistribution of polarized radiation in the weak radiation field limit. III. Theory for the multilevel atom

NASA Astrophysics Data System (ADS)

Bommier, Véronique

2016-06-01

Context. We discuss the case of lines formed by scattering, which comprises both coherent and incoherent scattering. Both processes contribute to form the line profiles in the so-called second solar spectrum, which is the spectrum of the linear polarization of such lines observed close to the solar limb. However, most of the lines cannot be simply modeled with a two-level or two-term atom model, and we present a generalized formalism for this purpose. Aims: The aim is to obtain a formalism that is able to describe scattering in line centers (resonant scattering or incoherent scattering) and in far wings (Rayleigh/Raman scattering or coherent scattering) for a multilevel and multiline atom. Methods: The method is designed to overcome the Markov approximation, which is often performed in the atom-photon interaction description. The method was already presented in the two first papers of this series, but the final equations of those papers were for a two-level atom. Results: We present here the final equations generalized for the multilevel and multiline atom. We describe the main steps of the theoretical development, and, in particular, how we performed the series development to overcome the Markov approximation. Conclusions: The statistical equilibrium equations for the atomic density matrix and the radiative transfer equation coefficients are obtained with line profiles. The Doppler redistribution is also taken into account because we show that the statistical equilibrium equations must be solved for each atomic velocity class.

A Hybrid Method of Moment Equations and Rate Equations to Modeling Gas-Grain Chemistry

NASA Astrophysics Data System (ADS)

Pei, Y.; Herbst, E.

2011-05-01

Grain surfaces play a crucial role in catalyzing many important chemical reactions in the interstellar medium (ISM). The deterministic rate equation (RE) method has often been used to simulate the surface chemistry. But this method becomes inaccurate when the number of reacting particles per grain is typically less than one, which can occur in the ISM. In this condition, stochastic approaches such as the master equations are adopted. However, these methods have mostly been constrained to small chemical networks due to the large amounts of processor time and computer power required. In this study, we present a hybrid method consisting of the moment equation approximation to the stochastic master equation approach and deterministic rate equations to treat a gas-grain model of homogeneous cold cloud cores with time-independent physical conditions. In this model, we use the standard OSU gas phase network (version OSU2006V3) which involves 458 gas phase species and more than 4000 reactions, and treat it by deterministic rate equations. A medium-sized surface reaction network which consists of 21 species and 19 reactions accounts for the productions of stable molecules such as H_2O, CO, CO_2, H_2CO, CH_3OH, NH_3 and CH_4. These surface reactions are treated by a hybrid method of moment equations (Barzel & Biham 2007) and rate equations: when the abundance of a surface species is lower than a specific threshold, say one per grain, we use the ``stochastic" moment equations to simulate the evolution; when its abundance goes above this threshold, we use the rate equations. A continuity technique is utilized to secure a smooth transition between these two methods. We have run chemical simulations for a time up to 10^8 yr at three temperatures: 10 K, 15 K, and 20 K. The results will be compared with those generated from (1) a completely deterministic model that uses rate equations for both gas phase and grain surface chemistry, (2) the method of modified rate equations (Garrod 2008), which partially takes into account the stochastic effect for surface reactions, and (3) the master equation approach solved using a Monte Carlo technique. At 10 K and standard grain sizes, our model results agree well with the above three methods, while discrepancies appear at higher temperatures and smaller grain sizes.

Local discretization method for overdamped Brownian motion on a potential with multiple deep wells.

PubMed

Nguyen, P T T; Challis, K J; Jack, M W

2016-11-01

We present a general method for transforming the continuous diffusion equation describing overdamped Brownian motion on a time-independent potential with multiple deep wells to a discrete master equation. The method is based on an expansion in localized basis states of local metastable potentials that match the full potential in the region of each potential well. Unlike previous basis methods for discretizing Brownian motion on a potential, this approach is valid for periodic potentials with varying multiple deep wells per period and can also be applied to nonperiodic systems. We apply the method to a range of potentials and find that potential wells that are deep compared to five times the thermal energy can be associated with a discrete localized state while shallower wells are better incorporated into the local metastable potentials of neighboring deep potential wells.

Transport tensors in perfectly aligned low-density fluids: Self-diffusion and thermal conductivity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, G. S.; Kumar, B.

2001-06-01

The modified Taxman equation for the kinetic theory of low-density fluids composed of rigid aspherical molecules possessing internal degrees of freedom is generalized to obtain the transport tensors in a fluid of aligned molecules. The theory takes care of the shape of the particles exactly but the solution has been obtained only for the case of perfectly aligned hard spheroids within the framework of the first Sonine polynomial approximation. The expressions for the thermal-conductivity components have been obtained for the first time whereas the self-diffusion components obtained here turn out to be exactly the same as those derived by Kumarmore » and Masters [Mol. Phys. >81, 491 (1994)] through the solution of the Lorentz-Boltzmann equation. All our expressions yield correct results in the hard-sphere limit.« less

Local discretization method for overdamped Brownian motion on a potential with multiple deep wells

NASA Astrophysics Data System (ADS)

Nguyen, P. T. T.; Challis, K. J.; Jack, M. W.

2016-11-01

We present a general method for transforming the continuous diffusion equation describing overdamped Brownian motion on a time-independent potential with multiple deep wells to a discrete master equation. The method is based on an expansion in localized basis states of local metastable potentials that match the full potential in the region of each potential well. Unlike previous basis methods for discretizing Brownian motion on a potential, this approach is valid for periodic potentials with varying multiple deep wells per period and can also be applied to nonperiodic systems. We apply the method to a range of potentials and find that potential wells that are deep compared to five times the thermal energy can be associated with a discrete localized state while shallower wells are better incorporated into the local metastable potentials of neighboring deep potential wells.

Dynamics and thermodynamics of open chemical networks

NASA Astrophysics Data System (ADS)

Esposito, Massimiliano

Open chemical networks (OCN) are large sets of coupled chemical reactions where some of the species are chemostated (i.e. continuously restored from the environment). Cell metabolism is a notable example of OCN. Two results will be presented. First, dissipation in OCN operating in nonequilibrium steady-states strongly depends on the network topology (algebraic properties of the stoichiometric matrix). An application to oligosaccharides exchange dynamics performed by so-called D-enzymes will be provided. Second, at low concentration the dissipation of OCN is in general inaccurately predicted by deterministic dynamics (i.e. nonlinear rate equations for the species concentrations). In this case a description in terms of the chemical master equation is necessary. A notable exception is provided by so-called deficiency zero networks, i.e. chemical networks with no hidden cycles present in the graph of reactant complexes.

Effect of atomic spontaneous decay on entanglement in the generalized Jaynes-Cummings model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hessian, H.A.; Obada, A.-S.F.; Mohamed, A.-B.A.

2010-03-15

Some aspects of the irreversible dynamics of a generalized Jaynes-Cummings model are addressed. By working in the dressed-state representation, it is possible to split the dynamics of the entanglement and coherence. The exact solution of the master equation in the case of a high-Q cavity with atomic decay is found. Effects of the atomic spontaneous decay on the temporal evolution of partial entropies of the atom or the field and the total entropy as a quantitative measure entanglement are elucidated. The degree of entanglement, through the sum of the negative eigenvalues of the partially transposed density matrix and the negativemore » mutual information has been studied and compared with other measures.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chęcińska, Agata; Heaney, Libby; Pollock, Felix A.

Motivated by a proposed olfactory mechanism based on a vibrationally activated molecular switch, we study electron transport within a donor-acceptor pair that is coupled to a vibrational mode and embedded in a surrounding environment. We derive a polaron master equation with which we study the dynamics of both the electronic and vibrational degrees of freedom beyond previously employed semiclassical (Marcus-Jortner) rate analyses. We show (i) that in the absence of explicit dissipation of the vibrational mode, the semiclassical approach is generally unable to capture the dynamics predicted by our master equation due to both its assumption of one-way (exponential) electronmore » transfer from donor to acceptor and its neglect of the spectral details of the environment; (ii) that by additionally allowing strong dissipation to act on the odorant vibrational mode, we can recover exponential electron transfer, though typically at a rate that differs from that given by the Marcus-Jortner expression; (iii) that the ability of the molecular switch to discriminate between the presence and absence of the odorant, and its sensitivity to the odorant vibrational frequency, is enhanced significantly in this strong dissipation regime, when compared to the case without mode dissipation; and (iv) that details of the environment absent from previous Marcus-Jortner analyses can also dramatically alter the sensitivity of the molecular switch, in particular, allowing its frequency resolution to be improved. Our results thus demonstrate the constructive role dissipation can play in facilitating sensitive and selective operation in molecular switch devices, as well as the inadequacy of semiclassical rate equations in analysing such behaviour over a wide range of parameters.« less

Master equation for She-Leveque scaling and its classification in terms of other Markov models of developed turbulence

NASA Astrophysics Data System (ADS)

Nickelsen, Daniel

2017-07-01

The statistics of velocity increments in homogeneous and isotropic turbulence exhibit universal features in the limit of infinite Reynolds numbers. After Kolmogorov’s scaling law from 1941, many turbulence models aim for capturing these universal features, some are known to have an equivalent formulation in terms of Markov processes. We derive the Markov process equivalent to the particularly successful scaling law postulated by She and Leveque. The Markov process is a jump process for velocity increments u(r) in scale r in which the jumps occur randomly but with deterministic width in u. From its master equation we establish a prescription to simulate the She-Leveque process and compare it with Kolmogorov scaling. To put the She-Leveque process into the context of other established turbulence models on the Markov level, we derive a diffusion process for u(r) using two properties of the Navier-Stokes equation. This diffusion process already includes Kolmogorov scaling, extended self-similarity and a class of random cascade models. The fluctuation theorem of this Markov process implies a ‘second law’ that puts a loose bound on the multipliers of the random cascade models. This bound explicitly allows for instances of inverse cascades, which are necessary to satisfy the fluctuation theorem. By adding a jump process to the diffusion process, we go beyond Kolmogorov scaling and formulate the most general scaling law for the class of Markov processes having both diffusion and jump parts. This Markov scaling law includes She-Leveque scaling and a scaling law derived by Yakhot.

76 FR 2712 - Sara Lee Corporation, Master Data, Cash Applications, Deductions, Collections, Call Center...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-01-14

... Center, Information Technology, Accounts Payable, General Accounts, Financial Accounting, Payroll, and... Corporation, Master Data, Cash Applications, Deductions, Collections, Call Center, Information Technology, Accounts Payable, General Accounts, Financial Accounts, Payroll, and Employee Master Data Departments...

Interferometric modulation of quantum cascade interactions

NASA Astrophysics Data System (ADS)

Cusumano, Stefano; Mari, Andrea; Giovannetti, Vittorio

2018-05-01

We consider many-body quantum systems dissipatively coupled by a cascade network, i.e., a setup in which interactions are mediated by unidirectional environmental modes propagating through a linear optical interferometer. In particular we are interested in the possibility of inducing different effective interactions by properly engineering an external dissipative network of beam splitters and phase shifters. In this work we first derive the general structure of the master equation for a symmetric class of translation-invariant cascade networks. Then we show how, by tuning the parameters of the interferometer, one can exploit interference effects to tailor a large variety of many-body interactions.

Splitting nodes and linking channels: A method for assembling biocircuits from stochastic elementary units

NASA Astrophysics Data System (ADS)

Ferwerda, Cameron; Lipan, Ovidiu

2016-11-01

Akin to electric circuits, we construct biocircuits that are manipulated by cutting and assembling channels through which stochastic information flows. This diagrammatic manipulation allows us to create a method which constructs networks by joining building blocks selected so that (a) they cover only basic processes; (b) it is scalable to large networks; (c) the mean and variance-covariance from the Pauli master equation form a closed system; and (d) given the initial probability distribution, no special boundary conditions are necessary to solve the master equation. The method aims to help with both designing new synthetic signaling pathways and quantifying naturally existing regulatory networks.

Master equation and runaway speed of the Francis turbine

NASA Astrophysics Data System (ADS)

Zhang, Zh.

2018-04-01

The master equation of the Francis turbine is derived based on the combination of the angular momentum (Euler) and the energy laws. It relates the geometrical design of the impeller and the regulation settings (guide vane angle and rotational speed) to the discharge and the power output. The master equation, thus, enables the complete characteristics of a given Francis turbine to be easily computed. While applying the energy law, both the shock loss at the impeller inlet and the swirling loss at the impeller exit are taken into account. These are main losses which occur at both the partial load and the overloads and, thus, dominantly influence the characteristics of the Francis turbine. They also totally govern the discharge of the water through the impeller when the impeller is found in the standstill. The computations have been performed for the discharge, the hydraulic torque and the hydraulic efficiency. They were also compared with the available measurements on a model turbine. Excellent agreement has been achieved. The computations also enable the runaway speed of the Francis turbine and the related discharge to be determined as a function of the setting angle of the guide vanes.

General view looking west along Master Street. (Similar to HABS ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

General view looking west along Master Street. (Similar to HABS No.PA-6694-1). - Acts of the Apostles Church in Jesus Christ, 1400-28 North Twenty-eighth Street, northwest corner of North Twenty-eighth & Master Streets, Philadelphia, Philadelphia County, PA

A qualitative study of the complete set of solutions of the differential equation of motion of a test particle in the equatorial plane of the Kerr gravitational field

NASA Technical Reports Server (NTRS)

Montgomery, H. E.; Chan, F. K.

1973-01-01

A study is made of the mathematical solution of the differential equation of motion of a test particle in the equatorial plane of the Kerr gravitational field, using S (Schwarzschild-like) coordinates. A qualitative solution of this equation leads to the conclusion that there can only be 25 different types of orbits. For each value of a, the results are presented in a master diagram for which h and e are the parameters. A master diagram divides the h, e parameter space into regions such that at each point within one of these regions the types of admissible orbits are qualitatively the same. A pictorial representation of the physical orbits in the r, phi plane is also given.

Delay chemical master equation: direct and closed-form solutions

PubMed Central

Leier, Andre; Marquez-Lago, Tatiana T.

2015-01-01

The stochastic simulation algorithm (SSA) describes the time evolution of a discrete nonlinear Markov process. This stochastic process has a probability density function that is the solution of a differential equation, commonly known as the chemical master equation (CME) or forward-Kolmogorov equation. In the same way that the CME gives rise to the SSA, and trajectories of the latter are exact with respect to the former, trajectories obtained from a delay SSA are exact representations of the underlying delay CME (DCME). However, in contrast to the CME, no closed-form solutions have so far been derived for any kind of DCME. In this paper, we describe for the first time direct and closed solutions of the DCME for simple reaction schemes, such as a single-delayed unimolecular reaction as well as chemical reactions for transcription and translation with delayed mRNA maturation. We also discuss the conditions that have to be met such that such solutions can be derived. PMID:26345616

Delay chemical master equation: direct and closed-form solutions.

PubMed

Leier, Andre; Marquez-Lago, Tatiana T

2015-07-08

The stochastic simulation algorithm (SSA) describes the time evolution of a discrete nonlinear Markov process. This stochastic process has a probability density function that is the solution of a differential equation, commonly known as the chemical master equation (CME) or forward-Kolmogorov equation. In the same way that the CME gives rise to the SSA, and trajectories of the latter are exact with respect to the former, trajectories obtained from a delay SSA are exact representations of the underlying delay CME (DCME). However, in contrast to the CME, no closed-form solutions have so far been derived for any kind of DCME. In this paper, we describe for the first time direct and closed solutions of the DCME for simple reaction schemes, such as a single-delayed unimolecular reaction as well as chemical reactions for transcription and translation with delayed mRNA maturation. We also discuss the conditions that have to be met such that such solutions can be derived.

Evolutionary prisoner's dilemma games coevolving on adaptive networks.

PubMed

Lee, Hsuan-Wei; Malik, Nishant; Mucha, Peter J

2018-02-01

We study a model for switching strategies in the Prisoner's Dilemma game on adaptive networks of player pairings that coevolve as players attempt to maximize their return. We use a node-based strategy model wherein each player follows one strategy at a time (cooperate or defect) across all of its neighbors, changing that strategy and possibly changing partners in response to local changes in the network of player pairing and in the strategies used by connected partners. We compare and contrast numerical simulations with existing pair approximation differential equations for describing this system, as well as more accurate equations developed here using the framework of approximate master equations. We explore the parameter space of the model, demonstrating the relatively high accuracy of the approximate master equations for describing the system observations made from simulations. We study two variations of this partner-switching model to investigate the system evolution, predict stationary states, and compare the total utilities and other qualitative differences between these two model variants.

Semi-classical statistical description of Fröhlich condensation.

PubMed

Preto, Jordane

2017-06-01

Fröhlich's model equations describing phonon condensation in open systems of biological relevance are reinvestigated within a semi-classical statistical framework. The main assumptions needed to deduce Fröhlich's rate equations are identified and it is shown how they lead us to write an appropriate form for the corresponding master equation. It is shown how solutions of the master equation can be numerically computed and can highlight typical features of the condensation effect. Our approach provides much more information compared to the existing ones as it allows to investigate the time evolution of the probability density function instead of following single averaged quantities. The current work is also motivated, on the one hand, by recent experimental evidences of long-lived excited modes in the protein structure of hen-egg white lysozyme, which were reported as a consequence of the condensation effect, and, on the other hand, by a growing interest in investigating long-range effects of electromagnetic origin and their influence on the dynamics of biochemical reactions.

A systematic and efficient method to compute multi-loop master integrals

NASA Astrophysics Data System (ADS)

Liu, Xiao; Ma, Yan-Qing; Wang, Chen-Yu

2018-04-01

We propose a novel method to compute multi-loop master integrals by constructing and numerically solving a system of ordinary differential equations, with almost trivial boundary conditions. Thus it can be systematically applied to problems with arbitrary kinematic configurations. Numerical tests show that our method can not only achieve results with high precision, but also be much faster than the only existing systematic method sector decomposition. As a by product, we find a new strategy to compute scalar one-loop integrals without reducing them to master integrals.

Population density equations for stochastic processes with memory kernels

NASA Astrophysics Data System (ADS)

Lai, Yi Ming; de Kamps, Marc

2017-06-01

We present a method for solving population density equations (PDEs)-a mean-field technique describing homogeneous populations of uncoupled neurons—where the populations can be subject to non-Markov noise for arbitrary distributions of jump sizes. The method combines recent developments in two different disciplines that traditionally have had limited interaction: computational neuroscience and the theory of random networks. The method uses a geometric binning scheme, based on the method of characteristics, to capture the deterministic neurodynamics of the population, separating the deterministic and stochastic process cleanly. We can independently vary the choice of the deterministic model and the model for the stochastic process, leading to a highly modular numerical solution strategy. We demonstrate this by replacing the master equation implicit in many formulations of the PDE formalism by a generalization called the generalized Montroll-Weiss equation—a recent result from random network theory—describing a random walker subject to transitions realized by a non-Markovian process. We demonstrate the method for leaky- and quadratic-integrate and fire neurons subject to spike trains with Poisson and gamma-distributed interspike intervals. We are able to model jump responses for both models accurately to both excitatory and inhibitory input under the assumption that all inputs are generated by one renewal process.

Modeling the rheological behavior of thermosonic extracted guava, pomelo, and soursop juice concentrates at different concentration and temperature using a new combination model

PubMed Central

Abdullah, Norazlin; Yusof, Yus A.; Talib, Rosnita A.

2017-01-01

Abstract This study has modeled the rheological behavior of thermosonic extracted pink‐fleshed guava, pink‐fleshed pomelo, and soursop juice concentrates at different concentrations and temperatures. The effects of concentration on consistency coefficient (K) and flow behavior index (n) of the fruit juice concentrates was modeled using a master curve which utilized the concentration‐temperature shifting to allow a general prediction of rheological behaviors covering a wide concentration. For modeling the effects of temperature on K and n, the integration of two functions from the Arrhenius and logistic sigmoidal growth equations has provided a new model which gave better description of the properties. It also alleviated the problems of negative region when using the Arrhenius model alone. The fitted regression using this new model has improved coefficient of determination, R 2 values above 0.9792 as compared to using the Arrhenius and logistic sigmoidal models alone, which presented minimum R 2 of 0.6243 and 0.9440, respectively. Practical applications In general, juice concentrate is a better form of food for transportation, preservation, and ingredient. Models are necessary to predict the effects of processing factors such as concentration and temperature on the rheological behavior of juice concentrates. The modeling approach allows prediction of behaviors and determination of processing parameters. The master curve model introduced in this study simplifies and generalized rheological behavior of juice concentrates over a wide range of concentration when temperature factor is insignificant. The proposed new mathematical model from the combination of the Arrhenius and logistic sigmoidal growth models has improved and extended description of rheological properties of fruit juice concentrates. It also solved problems of negative values of consistency coefficient and flow behavior index prediction using existing model, the Arrhenius equation. These rheological data modeling provide good information for the juice processing and equipment manufacturing needs. PMID:29479123

Exact BPS domain walls at finite gauge coupling

NASA Astrophysics Data System (ADS)

Blaschke, Filip

2017-01-01

Bogomol'nyi-Prasad-Sommerfield solitons in models with spontaneously broken gauge symmetry have been intensively studied at the infinite gauge coupling limit, where the governing equation-the so-called master equation-is exactly solvable. Except for a handful of special solutions, the standing impression is that analytic results at finite coupling are generally unavailable. The aim of this paper is to demonstrate, using domain walls in Abelian-Higgs models as the simplest example, that exact solitons at finite gauge coupling can be readily obtained if the number of Higgs fields (NF ) is large enough. In particular, we present a family of exact solutions, describing N domain walls at arbitrary positions in models with at least NF≥2 N +1 . We have also found that adding together any pair of solutions can produce a new exact solution if the combined tension is below a certain limit.

Dissipation in a rotating frame: Master equation, effective temperature, and Lamb shift

DOE Office of Scientific and Technical Information (OSTI.GOV)

Verso, Alvise; Ankerhold, Joachim

Motivated by recent realizations of microwave-driven nonlinear resonators in superconducting circuits, the impact of environmental degrees of freedom is analyzed as seen from a rotating frame. A system plus reservoir model is applied to consistently derive in the weak coupling limit the master equation for the reduced density in the moving frame and near the first bifurcation threshold. The concept of an effective temperature is introduced to analyze to what extent a detailed balance relation exists. Explicit expressions are also found for the Lamb-shift. Results for ohmic baths are in agreement with experimental findings, while for structured environments population inversionmore » is predicted that may qualitatively explain recent observations.« less

Prescription-induced jump distributions in multiplicative Poisson processes.

PubMed

Suweis, Samir; Porporato, Amilcare; Rinaldo, Andrea; Maritan, Amos

2011-06-01

Generalized Langevin equations (GLE) with multiplicative white Poisson noise pose the usual prescription dilemma leading to different evolution equations (master equations) for the probability distribution. Contrary to the case of multiplicative Gaussian white noise, the Stratonovich prescription does not correspond to the well-known midpoint (or any other intermediate) prescription. By introducing an inertial term in the GLE, we show that the Itô and Stratonovich prescriptions naturally arise depending on two time scales, one induced by the inertial term and the other determined by the jump event. We also show that, when the multiplicative noise is linear in the random variable, one prescription can be made equivalent to the other by a suitable transformation in the jump probability distribution. We apply these results to a recently proposed stochastic model describing the dynamics of primary soil salinization, in which the salt mass balance within the soil root zone requires the analysis of different prescriptions arising from the resulting stochastic differential equation forced by multiplicative white Poisson noise, the features of which are tailored to the characters of the daily precipitation. A method is finally suggested to infer the most appropriate prescription from the data.

Prescription-induced jump distributions in multiplicative Poisson processes

NASA Astrophysics Data System (ADS)

Suweis, Samir; Porporato, Amilcare; Rinaldo, Andrea; Maritan, Amos

2011-06-01

Generalized Langevin equations (GLE) with multiplicative white Poisson noise pose the usual prescription dilemma leading to different evolution equations (master equations) for the probability distribution. Contrary to the case of multiplicative Gaussian white noise, the Stratonovich prescription does not correspond to the well-known midpoint (or any other intermediate) prescription. By introducing an inertial term in the GLE, we show that the Itô and Stratonovich prescriptions naturally arise depending on two time scales, one induced by the inertial term and the other determined by the jump event. We also show that, when the multiplicative noise is linear in the random variable, one prescription can be made equivalent to the other by a suitable transformation in the jump probability distribution. We apply these results to a recently proposed stochastic model describing the dynamics of primary soil salinization, in which the salt mass balance within the soil root zone requires the analysis of different prescriptions arising from the resulting stochastic differential equation forced by multiplicative white Poisson noise, the features of which are tailored to the characters of the daily precipitation. A method is finally suggested to infer the most appropriate prescription from the data.

The Influence of Synaptic Weight Distribution on Neuronal Population Dynamics

PubMed Central

Buice, Michael; Koch, Christof; Mihalas, Stefan

2013-01-01

The manner in which different distributions of synaptic weights onto cortical neurons shape their spiking activity remains open. To characterize a homogeneous neuronal population, we use the master equation for generalized leaky integrate-and-fire neurons with shot-noise synapses. We develop fast semi-analytic numerical methods to solve this equation for either current or conductance synapses, with and without synaptic depression. We show that its solutions match simulations of equivalent neuronal networks better than those of the Fokker-Planck equation and we compute bounds on the network response to non-instantaneous synapses. We apply these methods to study different synaptic weight distributions in feed-forward networks. We characterize the synaptic amplitude distributions using a set of measures, called tail weight numbers, designed to quantify the preponderance of very strong synapses. Even if synaptic amplitude distributions are equated for both the total current and average synaptic weight, distributions with sparse but strong synapses produce higher responses for small inputs, leading to a larger operating range. Furthermore, despite their small number, such synapses enable the network to respond faster and with more stability in the face of external fluctuations. PMID:24204219

Transfer potentials shape and equilibrate monetary systems

NASA Astrophysics Data System (ADS)

Fischer, Robert; Braun, Dieter

2003-04-01

We analyze a monetary system of random money transfer on the basis of double entry bookkeeping. Without boundary conditions, we do not reach a price equilibrium and violate text-book formulas of economist's quantity theory ( MV= PQ). To match the resulting quantity of money with the model assumption of a constant price, we have to impose boundary conditions. They either restrict specific transfers globally or impose transfers locally. Both connect through a general framework of transfer potentials. We show that either restricted or imposed transfers can shape Gaussian, tent-shape exponential, Boltzmann-exponential, pareto or periodic equilibrium distributions. We derive the master equation and find its general time-dependent approximate solution. An equivalent of quantity theory for random money transfer under the boundary conditions of transfer potentials is given.

46 CFR Sec. 3 - Master's requirements.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 8 2010-10-01 2010-10-01 false Master's requirements. Sec. 3 Section 3 Shipping... Master's requirements. The Master shall: (a) Receive and receipt for the quantities of slop chest items... therefor, at the unit price, specified by the Slop Chest Statement furnished the Master by the General...

46 CFR Sec. 3 - Master's requirements.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 46 Shipping 8 2011-10-01 2011-10-01 false Master's requirements. Sec. 3 Section 3 Shipping... Master's requirements. The Master shall: (a) Receive and receipt for the quantities of slop chest items... therefor, at the unit price, specified by the Slop Chest Statement furnished the Master by the General...

46 CFR Sec. 3 - Master's requirements.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 46 Shipping 8 2012-10-01 2012-10-01 false Master's requirements. Sec. 3 Section 3 Shipping... Master's requirements. The Master shall: (a) Receive and receipt for the quantities of slop chest items... therefor, at the unit price, specified by the Slop Chest Statement furnished the Master by the General...

46 CFR Sec. 3 - Master's requirements.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 46 Shipping 8 2014-10-01 2014-10-01 false Master's requirements. Sec. 3 Section 3 Shipping... Master's requirements. The Master shall: (a) Receive and receipt for the quantities of slop chest items... therefor, at the unit price, specified by the Slop Chest Statement furnished the Master by the General...

46 CFR Sec. 3 - Master's requirements.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 8 2013-10-01 2013-10-01 false Master's requirements. Sec. 3 Section 3 Shipping... Master's requirements. The Master shall: (a) Receive and receipt for the quantities of slop chest items... therefor, at the unit price, specified by the Slop Chest Statement furnished the Master by the General...

Strong Langmuir Turbulence and Four-Wave Mixing

NASA Astrophysics Data System (ADS)

Glanz, James

1991-02-01

The staircase expansion is a new mathematical technique for deriving reduced, nonlinear-PDE descriptions from the plasma-moment equations. Such descriptions incorporate only the most significant linear and nonlinear terms of more complex systems. The technique is used to derive a set of Dawson-Zakharov or "master" equations, which unify and generalize previous work and show the limitations of models commonly used to describe nonlinear plasma waves. Fundamentally new wave-evolution equations are derived that admit of exact nonlinear solutions (solitary waves). Analytic calculations illustrate the competition between well-known effects of self-focusing, which require coupling to ion motion, and pure-electron nonlinearities, which are shown to be especially important in curved geometries. Also presented is an N -moment hydrodynamic model derived from the Vlasov equation. In this connection, the staircase expansion is shown to remain useful for all values of N >= 3. The relevance of the present work to nonlocally truncated hierarchies, which more accurately model dissipation, is briefly discussed. Finally, the general formalism is applied to the problem of electromagnetic emission from counterpropagating Langmuir pumps. It is found that previous treatments have neglected order-unity effects that increase the emission significantly. Detailed numerical results are presented to support these conclusions. The staircase expansion--so called because of its appearance when written out--should be effective whenever the largest contribution to the nonlinear wave remains "close" to some given frequency. Thus the technique should have application to studies of wake-field acceleration schemes and anomalous damping of plasma waves.

Stochastic theory of non-Markovian open quantum system

NASA Astrophysics Data System (ADS)

Zhao, Xinyu

In this thesis, a stochastic approach to solving non-Markovian open quantum system called "non-Markovian quantum state diffusion" (NMQSD) approach is discussed in details. The NMQSD approach can serve as an analytical and numerical tool to study the dynamics of the open quantum systems. We explore three main topics of the NMQSD approach. First, we extend the NMQSD approach to many-body open systems such as two-qubit system and coupled N-cavity system. Based on the exact NMQSD equations and the corresponding master equations, we investigate several interesting non-Markovian features due to the memory effect of the environment such as the entanglement generation in two-qubit system and the coherence and entanglement transfer between cavities. Second, we extend the original NMQSD approach to the case that system is coupled to a fermionic bath or a spin bath. By introducing the anti-commutative Grassmann noise and the fermionic coherent state, we derive a fermionic NMQSD equation and the corresponding master equation. The fermionic NMQSD is illustrated by several examples. In a single qubit dissipative example, we have explicitly demonstrated that the NMQSD approach and the ordinary quantum mechanics give rise to the exactly same results. We also show the difference between fermionic bath and bosonic bath. Third, we combine the bosonic and fermionic NMQSD approach to develop a unified NMQSD approach to study the case that an open system is coupled to a bosonic bath and a fermionic bath simultaneously. For all practical purposes, we develop a set of useful computer programs (NMQSD Toolbox) to implement the NMQSD equation in realistic computations. In particular, we develop an algorithm to calculate the exact O operator involved in the NMQSD equation. The NMQSD toolbox is designed to be user friendly, so it will be especially valuable for a non-expert who has interest to employ the NMQSD equation to solve a practical problem. Apart from the central topics on the NMQSD approach, we also study the environment-assisted error correction (EAEC) scheme. We have proposed two new schemes beyond the original EAEC scheme. Our schemes can be used to recover an unknown entangled initial state for a dephasing channel and recover an arbitrary unknown initial state for a dissipative channel using a generalized quantum measurement.

Bv and Bfv Formulation of a Gauge Theory of Quadratic Lie Algebras in 2d and a Construction of W3 Topological Gravity

NASA Astrophysics Data System (ADS)

Dayi, Ömer F.

The recently proposed generalized field method for solving the master equation of Batalin and Vilkovisky is applied to a gauge theory of quadratic Lie algebras in two dimensions. The charge corresponding to BRST symmetry derived from this solution in terms of the phase space variables by using the Noether procedure, and the one found due to the BFV-method are compared and found to coincide. W3-algebra, formulated in terms of a continuous variable is exploit in the mentioned gauge theory to construct a W3 topological gravity. Moreover, its gauge fixing is briefly discussed.

Synchronization of Reaction-Diffusion Neural Networks With Dirichlet Boundary Conditions and Infinite Delays.

PubMed

Sheng, Yin; Zhang, Hao; Zeng, Zhigang

2017-10-01

This paper is concerned with synchronization for a class of reaction-diffusion neural networks with Dirichlet boundary conditions and infinite discrete time-varying delays. By utilizing theories of partial differential equations, Green's formula, inequality techniques, and the concept of comparison, algebraic criteria are presented to guarantee master-slave synchronization of the underlying reaction-diffusion neural networks via a designed controller. Additionally, sufficient conditions on exponential synchronization of reaction-diffusion neural networks with finite time-varying delays are established. The proposed criteria herein enhance and generalize some published ones. Three numerical examples are presented to substantiate the validity and merits of the obtained theoretical results.

Quantum turing machine and brain model represented by Fock space

NASA Astrophysics Data System (ADS)

Iriyama, Satoshi; Ohya, Masanori

2016-05-01

The adaptive dynamics is known as a new mathematics to treat with a complex phenomena, for example, chaos, quantum algorithm and psychological phenomena. In this paper, we briefly review the notion of the adaptive dynamics, and explain the definition of the generalized Turing machine (GTM) and recognition process represented by the Fock space. Moreover, we show that there exists the quantum channel which is described by the GKSL master equation to achieve the Chaos Amplifier used in [M. Ohya and I. V. Volovich, J. Opt. B 5(6) (2003) 639., M. Ohya and I. V. Volovich, Rep. Math. Phys. 52(1) (2003) 25.

Dynamics of open quantum systems by interpolation of von Neumann and classical master equations, and its application to quantum annealing

NASA Astrophysics Data System (ADS)

Kadowaki, Tadashi

2018-02-01

We propose a method to interpolate dynamics of von Neumann and classical master equations with an arbitrary mixing parameter to investigate the thermal effects in quantum dynamics. The two dynamics are mixed by intervening to continuously modify their solutions, thus coupling them indirectly instead of directly introducing a coupling term. This maintains the quantum system in a pure state even after the introduction of thermal effects and obtains not only a density matrix but also a state vector representation. Further, we demonstrate that the dynamics of a two-level system can be rewritten as a set of standard differential equations, resulting in quantum dynamics that includes thermal relaxation. These equations are equivalent to the optical Bloch equations at the weak coupling and asymptotic limits, implying that the dynamics cause thermal effects naturally. Numerical simulations of ferromagnetic and frustrated systems support this idea. Finally, we use this method to study thermal effects in quantum annealing, revealing nontrivial performance improvements for a spin glass model over a certain range of annealing time. This result may enable us to optimize the annealing time of real annealing machines.

Quod erat demonstrandum: Understanding and Explaining Equations in Physics Teacher Education

NASA Astrophysics Data System (ADS)

Karam, Ricardo; Krey, Olaf

2015-07-01

In physics education, equations are commonly seen as calculation tools to solve problems or as concise descriptions of experimental regularities. In physical science, however, equations often play a much more important role associated with the formulation of theories to provide explanations for physical phenomena. In order to overcome this inconsistency, one crucial step is to improve physics teacher education. In this work, we describe the structure of a course that was given to physics teacher students at the end of their master's degree in two European universities. The course had two main goals: (1) To investigate the complex interplay between physics and mathematics from a historical and philosophical perspective and (2) To expand students' repertoire of explanations regarding possible ways to derive certain school-relevant equations. A qualitative analysis on a case study basis was conducted to investigate the learning outcomes of the course. Here, we focus on the comparative analysis of two students who had considerably different views of the math-physics interplay in the beginning of the course. Our general results point to important changes on some of the students' views on the role of mathematics in physics, an increase in the participants' awareness of the difficulties faced by learners to understand physics equations and a broadening in the students' repertoire to answer "Why?" questions formulated to equations. Based on this analysis, further implications for physics teacher education are derived.

A kinetic theory for age-structured stochastic birth-death processes

NASA Astrophysics Data System (ADS)

Chou, Tom; Greenman, Chris

Classical age-structured mass-action models such as the McKendrick-von Foerster equation have been extensively studied but they are structurally unable to describe stochastic fluctuations or population-size-dependent birth and death rates. Conversely, current theories that include size-dependent population dynamics (e.g., carrying capacity) cannot be easily extended to take into account age-dependent birth and death rates. In this paper, we present a systematic derivation of a new fully stochastic kinetic theory for interacting age-structured populations. By defining multiparticle probability density functions, we derive a hierarchy of kinetic equations for the stochastic evolution of an aging population undergoing birth and death. We show that the fully stochastic age-dependent birth-death process precludes factorization of the corresponding probability densities, which then must be solved by using a BBGKY-like hierarchy. Our results generalize both deterministic models and existing master equation approaches by providing an intuitive and efficient way to simultaneously model age- and population-dependent stochastic dynamics applicable to the study of demography, stem cell dynamics, and disease evolution. NSF.

Non-Markovian electron dynamics in nanostructures coupled to dissipative contacts

NASA Astrophysics Data System (ADS)

Novakovic, B.; Knezevic, I.

2013-02-01

In quasiballistic semiconductor nanostructures, carrier exchange between the active region and dissipative contacts is the mechanism that governs relaxation. In this paper, we present a theoretical treatment of transient quantum transport in quasiballistic semiconductor nanostructures, which is based on the open system theory and valid on timescales much longer than the characteristic relaxation time in the contacts. The approach relies on a model interaction between the current-limiting active region and the contacts, given in the scattering-state basis. We derive a non-Markovian master equation for the irreversible evolution of the active region's many-body statistical operator by coarse-graining the exact dynamical map over the contact relaxation time. In order to obtain the response quantities of a nanostructure under bias, such as the potential and the charge and current densities, the non-Markovian master equation must be solved numerically together with the Schr\\"{o}dinger, Poisson, and continuity equations. We discuss how to numerically solve this coupled system of equations and illustrate the approach on the example of a silicon nin diode.

Collision partner selection schemes in DSMC: From micro/nano flows to hypersonic flows

NASA Astrophysics Data System (ADS)

Roohi, Ehsan; Stefanov, Stefan

2016-10-01

The motivation of this review paper is to present a detailed summary of different collision models developed in the framework of the direct simulation Monte Carlo (DSMC) method. The emphasis is put on a newly developed collision model, i.e., the Simplified Bernoulli trial (SBT), which permits efficient low-memory simulation of rarefied gas flows. The paper starts with a brief review of the governing equations of the rarefied gas dynamics including Boltzmann and Kac master equations and reiterates that the linear Kac equation reduces to a non-linear Boltzmann equation under the assumption of molecular chaos. An introduction to the DSMC method is provided, and principles of collision algorithms in the DSMC are discussed. A distinction is made between those collision models that are based on classical kinetic theory (time counter, no time counter (NTC), and nearest neighbor (NN)) and the other class that could be derived mathematically from the Kac master equation (pseudo-Poisson process, ballot box, majorant frequency, null collision, Bernoulli trials scheme and its variants). To provide a deeper insight, the derivation of both collision models, either from the principles of the kinetic theory or the Kac master equation, is provided with sufficient details. Some discussions on the importance of subcells in the DSMC collision procedure are also provided and different types of subcells are presented. The paper then focuses on the simplified version of the Bernoulli trials algorithm (SBT) and presents a detailed summary of validation of the SBT family collision schemes (SBT on transient adaptive subcells: SBT-TAS, and intelligent SBT: ISBT) in a broad spectrum of rarefied gas-flow test cases, ranging from low speed, internal micro and nano flows to external hypersonic flow, emphasizing first the accuracy of these new collision models and second, demonstrating that the SBT family scheme, if compared to other conventional and recent collision models, requires smaller number of particles per cell to obtain sufficiently accurate solutions.

46 CFR 169.507 - Responsibility of master.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 7 2010-10-01 2010-10-01 false Responsibility of master. 169.507 Section 169.507... Lifesaving and Firefighting Equipment Lifesaving Equipment-General § 169.507 Responsibility of master. The master or operator shall ensure that the lifeboats, liferafts, davits, falls, personal flotation devices...

46 CFR 169.507 - Responsibility of master.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 46 Shipping 7 2014-10-01 2014-10-01 false Responsibility of master. 169.507 Section 169.507... Lifesaving and Firefighting Equipment Lifesaving Equipment-General § 169.507 Responsibility of master. The master or operator shall ensure that the lifeboats, liferafts, davits, falls, personal flotation devices...

46 CFR 169.507 - Responsibility of master.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 46 Shipping 7 2011-10-01 2011-10-01 false Responsibility of master. 169.507 Section 169.507... Lifesaving and Firefighting Equipment Lifesaving Equipment-General § 169.507 Responsibility of master. The master or operator shall ensure that the lifeboats, liferafts, davits, falls, personal flotation devices...

46 CFR 169.507 - Responsibility of master.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 7 2013-10-01 2013-10-01 false Responsibility of master. 169.507 Section 169.507... Lifesaving and Firefighting Equipment Lifesaving Equipment-General § 169.507 Responsibility of master. The master or operator shall ensure that the lifeboats, liferafts, davits, falls, personal flotation devices...

46 CFR 169.507 - Responsibility of master.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 46 Shipping 7 2012-10-01 2012-10-01 false Responsibility of master. 169.507 Section 169.507... Lifesaving and Firefighting Equipment Lifesaving Equipment-General § 169.507 Responsibility of master. The master or operator shall ensure that the lifeboats, liferafts, davits, falls, personal flotation devices...

Solving the chemical master equation using sliding windows

PubMed Central

2010-01-01

Background The chemical master equation (CME) is a system of ordinary differential equations that describes the evolution of a network of chemical reactions as a stochastic process. Its solution yields the probability density vector of the system at each point in time. Solving the CME numerically is in many cases computationally expensive or even infeasible as the number of reachable states can be very large or infinite. We introduce the sliding window method, which computes an approximate solution of the CME by performing a sequence of local analysis steps. In each step, only a manageable subset of states is considered, representing a "window" into the state space. In subsequent steps, the window follows the direction in which the probability mass moves, until the time period of interest has elapsed. We construct the window based on a deterministic approximation of the future behavior of the system by estimating upper and lower bounds on the populations of the chemical species. Results In order to show the effectiveness of our approach, we apply it to several examples previously described in the literature. The experimental results show that the proposed method speeds up the analysis considerably, compared to a global analysis, while still providing high accuracy. Conclusions The sliding window method is a novel approach to address the performance problems of numerical algorithms for the solution of the chemical master equation. The method efficiently approximates the probability distributions at the time points of interest for a variety of chemically reacting systems, including systems for which no upper bound on the population sizes of the chemical species is known a priori. PMID:20377904

Local error estimates for adaptive simulation of the Reaction–Diffusion Master Equation via operator splitting

PubMed Central

Hellander, Andreas; Lawson, Michael J; Drawert, Brian; Petzold, Linda

2015-01-01

The efficiency of exact simulation methods for the reaction-diffusion master equation (RDME) is severely limited by the large number of diffusion events if the mesh is fine or if diffusion constants are large. Furthermore, inherent properties of exact kinetic-Monte Carlo simulation methods limit the efficiency of parallel implementations. Several approximate and hybrid methods have appeared that enable more efficient simulation of the RDME. A common feature to most of them is that they rely on splitting the system into its reaction and diffusion parts and updating them sequentially over a discrete timestep. This use of operator splitting enables more efficient simulation but it comes at the price of a temporal discretization error that depends on the size of the timestep. So far, existing methods have not attempted to estimate or control this error in a systematic manner. This makes the solvers hard to use for practitioners since they must guess an appropriate timestep. It also makes the solvers potentially less efficient than if the timesteps are adapted to control the error. Here, we derive estimates of the local error and propose a strategy to adaptively select the timestep when the RDME is simulated via a first order operator splitting. While the strategy is general and applicable to a wide range of approximate and hybrid methods, we exemplify it here by extending a previously published approximate method, the Diffusive Finite-State Projection (DFSP) method, to incorporate temporal adaptivity. PMID:26865735

Quantum Brownian motion with inhomogeneous damping and diffusion

NASA Astrophysics Data System (ADS)

Massignan, Pietro; Lampo, Aniello; Wehr, Jan; Lewenstein, Maciej

2015-03-01

We analyze the microscopic model of quantum Brownian motion, describing a Brownian particle interacting with a bosonic bath through a coupling which is linear in the creation and annihilation operators of the bath, but may be a nonlinear function of the position of the particle. Physically, this corresponds to a configuration in which damping and diffusion are spatially inhomogeneous. We derive systematically the quantum master equation for the Brownian particle in the Born-Markov approximation and we discuss the appearance of additional terms, for various polynomials forms of the coupling. We discuss the cases of linear and quadratic coupling in great detail and we derive, using Wigner function techniques, the stationary solutions of the master equation for a Brownian particle in a harmonic trapping potential. We predict quite generally Gaussian stationary states, and we compute the aspect ratio and the spread of the distributions. In particular, we find that these solutions may be squeezed (superlocalized) with respect to the position of the Brownian particle. We analyze various restrictions to the validity of our theory posed by non-Markovian effects and by the Heisenberg principle. We further study the dynamical stability of the system, by applying a Gaussian approximation to the time-dependent Wigner function, and we compute the decoherence rates of coherent quantum superpositions in position space. Finally, we propose a possible experimental realization of the physics discussed here, by considering an impurity particle embedded in a degenerate quantum gas.

Exact calculation of the time convolutionless master equation generator: Application to the nonequilibrium resonant level model

NASA Astrophysics Data System (ADS)

Kidon, Lyran; Wilner, Eli Y.; Rabani, Eran

2015-12-01

The generalized quantum master equation provides a powerful tool to describe the dynamics in quantum impurity models driven away from equilibrium. Two complementary approaches, one based on Nakajima-Zwanzig-Mori time-convolution (TC) and the other on the Tokuyama-Mori time-convolutionless (TCL) formulations provide a starting point to describe the time-evolution of the reduced density matrix. A key in both approaches is to obtain the so called "memory kernel" or "generator," going beyond second or fourth order perturbation techniques. While numerically converged techniques are available for the TC memory kernel, the canonical approach to obtain the TCL generator is based on inverting a super-operator in the full Hilbert space, which is difficult to perform and thus, nearly all applications of the TCL approach rely on a perturbative scheme of some sort. Here, the TCL generator is expressed using a reduced system propagator which can be obtained from system observables alone and requires the calculation of super-operators and their inverse in the reduced Hilbert space rather than the full one. This makes the formulation amenable to quantum impurity solvers or to diagrammatic techniques, such as the nonequilibrium Green's function. We implement the TCL approach for the resonant level model driven away from equilibrium and compare the time scales for the decay of the generator with that of the memory kernel in the TC approach. Furthermore, the effects of temperature, source-drain bias, and gate potential on the TCL/TC generators are discussed.

Local error estimates for adaptive simulation of the Reaction-Diffusion Master Equation via operator splitting.

PubMed

Hellander, Andreas; Lawson, Michael J; Drawert, Brian; Petzold, Linda

2014-06-01

The efficiency of exact simulation methods for the reaction-diffusion master equation (RDME) is severely limited by the large number of diffusion events if the mesh is fine or if diffusion constants are large. Furthermore, inherent properties of exact kinetic-Monte Carlo simulation methods limit the efficiency of parallel implementations. Several approximate and hybrid methods have appeared that enable more efficient simulation of the RDME. A common feature to most of them is that they rely on splitting the system into its reaction and diffusion parts and updating them sequentially over a discrete timestep. This use of operator splitting enables more efficient simulation but it comes at the price of a temporal discretization error that depends on the size of the timestep. So far, existing methods have not attempted to estimate or control this error in a systematic manner. This makes the solvers hard to use for practitioners since they must guess an appropriate timestep. It also makes the solvers potentially less efficient than if the timesteps are adapted to control the error. Here, we derive estimates of the local error and propose a strategy to adaptively select the timestep when the RDME is simulated via a first order operator splitting. While the strategy is general and applicable to a wide range of approximate and hybrid methods, we exemplify it here by extending a previously published approximate method, the Diffusive Finite-State Projection (DFSP) method, to incorporate temporal adaptivity.

Nonlinear fluctuations-induced rate equations for linear birth-death processes

NASA Astrophysics Data System (ADS)

Honkonen, J.

2008-05-01

The Fock-space approach to the solution of master equations for one-step Markov processes is reconsidered. It is shown that in birth-death processes with an absorbing state at the bottom of the occupation-number spectrum and occupation-number independent annihilation probability of occupation-number fluctuations give rise to rate equations drastically different from the polynomial form typical of birth-death processes. The fluctuation-induced rate equations with the characteristic exponential terms are derived for Mikhailov’s ecological model and Lanchester’s model of modern warfare.

Stochastic coalescence in finite systems: an algorithm for the numerical solution of the multivariate master equation.

NASA Astrophysics Data System (ADS)

Alfonso, Lester; Zamora, Jose; Cruz, Pedro

2015-04-01

The stochastic approach to coagulation considers the coalescence process going in a system of a finite number of particles enclosed in a finite volume. Within this approach, the full description of the system can be obtained from the solution of the multivariate master equation, which models the evolution of the probability distribution of the state vector for the number of particles of a given mass. Unfortunately, due to its complexity, only limited results were obtained for certain type of kernels and monodisperse initial conditions. In this work, a novel numerical algorithm for the solution of the multivariate master equation for stochastic coalescence that works for any type of kernels and initial conditions is introduced. The performance of the method was checked by comparing the numerically calculated particle mass spectrum with analytical solutions obtained for the constant and sum kernels, with an excellent correspondence between the analytical and numerical solutions. In order to increase the speedup of the algorithm, software parallelization techniques with OpenMP standard were used, along with an implementation in order to take advantage of new accelerator technologies. Simulations results show an important speedup of the parallelized algorithms. This study was funded by a grant from Consejo Nacional de Ciencia y Tecnologia de Mexico SEP-CONACYT CB-131879. The authors also thanks LUFAC® Computacion SA de CV for CPU time and all the support provided.

Colonization of a territory by a stochastic population under a strong Allee effect and a low immigration pressure

NASA Astrophysics Data System (ADS)

Be'er, Shay; Assaf, Michael; Meerson, Baruch

2015-06-01

We study the dynamics of colonization of a territory by a stochastic population at low immigration pressure. We assume a sufficiently strong Allee effect that introduces, in deterministic theory, a large critical population size for colonization. At low immigration rates, the average precolonization population size is small, thus invalidating the WKB approximation to the master equation. We circumvent this difficulty by deriving an exact zero-flux solution of the master equation and matching it with an approximate nonzero-flux solution of the pertinent Fokker-Planck equation in a small region around the critical population size. This procedure provides an accurate evaluation of the quasistationary probability distribution of population sizes in the precolonization state and of the mean time to colonization, for a wide range of immigration rates. At sufficiently high immigration rates our results agree with WKB results obtained previously. At low immigration rates the results can be very different.

Colonization of a territory by a stochastic population under a strong Allee effect and a low immigration pressure.

PubMed

Be'er, Shay; Assaf, Michael; Meerson, Baruch

2015-06-01

We study the dynamics of colonization of a territory by a stochastic population at low immigration pressure. We assume a sufficiently strong Allee effect that introduces, in deterministic theory, a large critical population size for colonization. At low immigration rates, the average precolonization population size is small, thus invalidating the WKB approximation to the master equation. We circumvent this difficulty by deriving an exact zero-flux solution of the master equation and matching it with an approximate nonzero-flux solution of the pertinent Fokker-Planck equation in a small region around the critical population size. This procedure provides an accurate evaluation of the quasistationary probability distribution of population sizes in the precolonization state and of the mean time to colonization, for a wide range of immigration rates. At sufficiently high immigration rates our results agree with WKB results obtained previously. At low immigration rates the results can be very different.

Analysis of high-speed rotating flow inside gas centrifuge casing

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev, , Dr.

2017-10-01

The generalized analytical model for the radial boundary layer inside the gas centrifuge casing in which the inner cylinder is rotating at a constant angular velocity Ω_i while the outer one is stationary, is formulated for studying the secondary gas flow field due to wall thermal forcing, inflow/outflow of light gas along the boundaries, as well as due to the combination of the above two external forcing. The analytical model includes the sixth order differential equation for the radial boundary layer at the cylindrical curved surface in terms of master potential (χ) , which is derived from the equations of motion in an axisymmetric (r - z) plane. The linearization approximation is used, where the equations of motion are truncated at linear order in the velocity and pressure disturbances to the base flow, which is a solid-body rotation. Additional approximations in the analytical model include constant temperature in the base state (isothermal compressible Couette flow), high aspect ratio (length is large compared to the annular gap), high Reynolds number, but there is no limitation on the Mach number. The discrete eigenvalues and eigenfunctions of the linear operators (sixth-order in the radial direction for the generalized analytical equation) are obtained. The solutions for the secondary flow is determined in terms of these eigenvalues and eigenfunctions. These solutions are compared with direct simulation Monte Carlo (DSMC) simulations and found excellent agreement (with a difference of less than 15%) between the predictions of the analytical model and the DSMC simulations, provided the boundary conditions in the analytical model are accurately specified.

Analysis of high-speed rotating flow inside gas centrifuge casing

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev, , Dr.

2017-09-01

The generalized analytical model for the radial boundary layer inside the gas centrifuge casing in which the inner cylinder is rotating at a constant angular velocity Ωi while the outer one is stationary, is formulated for studying the secondary gas flow field due to wall thermal forcing, inflow/outflow of light gas along the boundaries, as well as due to the combination of the above two external forcing. The analytical model includes the sixth order differential equation for the radial boundary layer at the cylindrical curved surface in terms of master potential (χ) , which is derived from the equations of motion in an axisymmetric (r - z) plane. The linearization approximation is used, where the equations of motion are truncated at linear order in the velocity and pressure disturbances to the base flow, which is a solid-body rotation. Additional approximations in the analytical model include constant temperature in the base state (isothermal compressible Couette flow), high aspect ratio (length is large compared to the annular gap), high Reynolds number, but there is no limitation on the Mach number. The discrete eigenvalues and eigenfunctions of the linear operators (sixth-order in the radial direction for the generalized analytical equation) are obtained. The solutions for the secondary flow is determined in terms of these eigenvalues and eigenfunctions. These solutions are compared with direct simulation Monte Carlo (DSMC) simulations and found excellent agreement (with a difference of less than 15%) between the predictions of the analytical model and the DSMC simulations, provided the boundary conditions in the analytical model are accurately specified.

Analysis of high-speed rotating flow inside gas centrifuge casing

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev

2017-11-01

The generalized analytical model for the radial boundary layer inside the gas centrifuge casing in which the inner cylinder is rotating at a constant angular velocity Ωi while the outer one is stationary, is formulated for studying the secondary gas flow field due to wall thermal forcing, inflow/outflow of light gas along the boundaries, as well as due to the combination of the above two external forcing. The analytical model includes the sixth order differential equation for the radial boundary layer at the cylindrical curved surface in terms of master potential (χ) , which is derived from the equations of motion in an axisymmetric (r - z) plane. The linearization approximation is used, where the equations of motion are truncated at linear order in the velocity and pressure disturbances to the base flow, which is a solid-body rotation. Additional approximations in the analytical model include constant temperature in the base state (isothermal compressible Couette flow), high aspect ratio (length is large compared to the annular gap), high Reynolds number, but there is no limitation on the Mach number. The discrete eigenvalues and eigenfunctions of the linear operators (sixth-order in the radial direction for the generalized analytical equation) are obtained. The solutions for the secondary flow is determined in terms of these eigenvalues and eigenfunctions. These solutions are compared with direct simulation Monte Carlo (DSMC) simulations and found excellent agreement (with a difference of less than 15%) between the predictions of the analytical model and the DSMC simulations, provided the boundary conditions in the analytical model are accurately specified.

Hybrid models for chemical reaction networks: Multiscale theory and application to gene regulatory systems.

PubMed

Winkelmann, Stefanie; Schütte, Christof

2017-09-21

Well-mixed stochastic chemical kinetics are properly modeled by the chemical master equation (CME) and associated Markov jump processes in molecule number space. If the reactants are present in large amounts, however, corresponding simulations of the stochastic dynamics become computationally expensive and model reductions are demanded. The classical model reduction approach uniformly rescales the overall dynamics to obtain deterministic systems characterized by ordinary differential equations, the well-known mass action reaction rate equations. For systems with multiple scales, there exist hybrid approaches that keep parts of the system discrete while another part is approximated either using Langevin dynamics or deterministically. This paper aims at giving a coherent overview of the different hybrid approaches, focusing on their basic concepts and the relation between them. We derive a novel general description of such hybrid models that allows expressing various forms by one type of equation. We also check in how far the approaches apply to model extensions of the CME for dynamics which do not comply with the central well-mixed condition and require some spatial resolution. A simple but meaningful gene expression system with negative self-regulation is analysed to illustrate the different approximation qualities of some of the hybrid approaches discussed. Especially, we reveal the cause of error in the case of small volume approximations.

Hybrid models for chemical reaction networks: Multiscale theory and application to gene regulatory systems

NASA Astrophysics Data System (ADS)

Winkelmann, Stefanie; Schütte, Christof

2017-09-01

Well-mixed stochastic chemical kinetics are properly modeled by the chemical master equation (CME) and associated Markov jump processes in molecule number space. If the reactants are present in large amounts, however, corresponding simulations of the stochastic dynamics become computationally expensive and model reductions are demanded. The classical model reduction approach uniformly rescales the overall dynamics to obtain deterministic systems characterized by ordinary differential equations, the well-known mass action reaction rate equations. For systems with multiple scales, there exist hybrid approaches that keep parts of the system discrete while another part is approximated either using Langevin dynamics or deterministically. This paper aims at giving a coherent overview of the different hybrid approaches, focusing on their basic concepts and the relation between them. We derive a novel general description of such hybrid models that allows expressing various forms by one type of equation. We also check in how far the approaches apply to model extensions of the CME for dynamics which do not comply with the central well-mixed condition and require some spatial resolution. A simple but meaningful gene expression system with negative self-regulation is analysed to illustrate the different approximation qualities of some of the hybrid approaches discussed. Especially, we reveal the cause of error in the case of small volume approximations.

Reformulation and solution of the master equation for multiple-well chemical reactions.

PubMed

Georgievskii, Yuri; Miller, James A; Burke, Michael P; Klippenstein, Stephen J

2013-11-21

We consider an alternative formulation of the master equation for complex-forming chemical reactions with multiple wells and bimolecular products. Within this formulation the dynamical phase space consists of only the microscopic populations of the various isomers making up the reactive complex, while the bimolecular reactants and products are treated equally as sources and sinks. This reformulation yields compact expressions for the phenomenological rate coefficients describing all chemical processes, i.e., internal isomerization reactions, bimolecular-to-bimolecular reactions, isomer-to-bimolecular reactions, and bimolecular-to-isomer reactions. The applicability of the detailed balance condition is discussed and confirmed. We also consider the situation where some of the chemical eigenvalues approach the energy relaxation time scale and show how to modify the phenomenological rate coefficients so that they retain their validity.

Epidemics in networks: a master equation approach

NASA Astrophysics Data System (ADS)

Cotacallapa, M.; Hase, M. O.

2016-02-01

A problem closely related to epidemiology, where a subgraph of ‘infected’ links is defined inside a larger network, is investigated. This subgraph is generated from the underlying network by a random variable, which decides whether a link is able to propagate a disease/information. The relaxation timescale of this random variable is examined in both annealed and quenched limits, and the effectiveness of propagation of disease/information is analyzed. The dynamics of the model is governed by a master equation and two types of underlying network are considered: one is scale-free and the other has exponential degree distribution. We have shown that the relaxation timescale of the contagion variable has a major influence on the topology of the subgraph of infected links, which determines the efficiency of spreading of disease/information over the network.

Maximal cuts and differential equations for Feynman integrals. An application to the three-loop massive banana graph

NASA Astrophysics Data System (ADS)

Primo, Amedeo; Tancredi, Lorenzo

2017-08-01

We consider the calculation of the master integrals of the three-loop massive banana graph. In the case of equal internal masses, the graph is reduced to three master integrals which satisfy an irreducible system of three coupled linear differential equations. The solution of the system requires finding a 3 × 3 matrix of homogeneous solutions. We show how the maximal cut can be used to determine all entries of this matrix in terms of products of elliptic integrals of first and second kind of suitable arguments. All independent solutions are found by performing the integration which defines the maximal cut on different contours. Once the homogeneous solution is known, the inhomogeneous solution can be obtained by use of Euler's variation of constants.

Ultrastable light sources in the crossover from superradiance to lasing

NASA Astrophysics Data System (ADS)

Xu, Minghui; Tieri, David; Holland, Murray

2013-05-01

We theoretically investigate the crossover from steady-state superradiance to optical lasing. An exact solution of the quantum master equation is difficult to obtain due to the exponential scaling of the Hilbert space dimension with system size. However, since Lindblad operators in the master equation are invariant under SU(4) transformations, we are able to reduce the exponential scaling of the problem to cubic by expanding the density matrix in terms of an SU(4) basis. In this way, we obtain exact quantum solutions of the superradiance-laser crossover. We use this theory to investigate the potential for ultrastable lasers in the millihertz linewidth regime, and find the behavior of important observables, such as intensity, linewidth, spin-correlation, and entanglement. This work was supported by the DARPA QUASAR program and NSF.

Analytical Studies on the Synchronization of a Network of Linearly-Coupled Simple Chaotic Systems

NASA Astrophysics Data System (ADS)

Sivaganesh, G.; Arulgnanam, A.; Seethalakshmi, A. N.; Selvaraj, S.

2018-05-01

We present explicit generalized analytical solutions for a network of linearly-coupled simple chaotic systems. Analytical solutions are obtained for the normalized state equations of a network of linearly-coupled systems driven by a common chaotic drive system. Two parameter bifurcation diagrams revealing the various hidden synchronization regions, such as complete, phase and phase-lag synchronization are identified using the analytical results. The synchronization dynamics and their stability are studied using phase portraits and the master stability function, respectively. Further, experimental results for linearly-coupled simple chaotic systems are presented to confirm the analytical results. The synchronization dynamics of a network of chaotic systems studied analytically is reported for the first time.

Decoherence-free evolution of time-dependent superposition states of two-level systems and thermal effects

NASA Astrophysics Data System (ADS)

Prado, F. O.; de Almeida, N. G.; Duzzioni, E. I.; Moussa, M. H. Y.; Villas-Boas, C. J.

2011-07-01

In this paper we detail some results advanced in a recent letter [Prado , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.102.073008 102, 073008 (2009).] showing how to engineer reservoirs for two-level systems at absolute zero by means of a time-dependent master equation leading to a nonstationary superposition equilibrium state. We also present a general recipe showing how to build nonadiabatic coherent evolutions of a fermionic system interacting with a bosonic mode and investigate the influence of thermal reservoirs at finite temperature on the fidelity of the protected superposition state. Our analytical results are supported by numerical analysis of the full Hamiltonian model.

Non-equilibrium transport and spin dynamics in single-molecule magnets

NASA Astrophysics Data System (ADS)

Moldoveanu, V.; Dinu, I. V.; Tanatar, B.

2015-11-01

The time-dependent transport through single-molecule magnets (SMM) coupled to magnetic or non-magnetic electrodes is studied in the framework of the generalized Master equation (GME) method. We calculate the transient currents which develop when the molecule is smoothly coupled to the source and drain electrodes. The signature of the electrically induced magnetic switching on these transient currents is investigated. Our simulations show that the magnetic switching of the molecular spin can be read indirectly from the transient currents if one lead is magnetic and it is much faster if the leads have opposite spin polarizations. We identify effects of the transverse anisotropy on the dynamics of molecular states.

46 CFR 109.109 - Responsibilities of master or person in charge.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 4 2013-10-01 2013-10-01 false Responsibilities of master or person in charge. 109.109 Section 109.109 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) A-MOBILE OFFSHORE DRILLING UNITS OPERATIONS General § 109.109 Responsibilities of master or person in charge. (a) The master...

46 CFR 109.109 - Responsibilities of master or person in charge.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 46 Shipping 4 2011-10-01 2011-10-01 false Responsibilities of master or person in charge. 109.109 Section 109.109 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) A-MOBILE OFFSHORE DRILLING UNITS OPERATIONS General § 109.109 Responsibilities of master or person in charge. (a) The master...

46 CFR 109.109 - Responsibilities of master or person in charge.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 46 Shipping 4 2014-10-01 2014-10-01 false Responsibilities of master or person in charge. 109.109 Section 109.109 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) A-MOBILE OFFSHORE DRILLING UNITS OPERATIONS General § 109.109 Responsibilities of master or person in charge. (a) The master...

46 CFR 109.109 - Responsibilities of master or person in charge.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 4 2010-10-01 2010-10-01 false Responsibilities of master or person in charge. 109.109 Section 109.109 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) A-MOBILE OFFSHORE DRILLING UNITS OPERATIONS General § 109.109 Responsibilities of master or person in charge. (a) The master...

46 CFR 109.109 - Responsibilities of master or person in charge.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 46 Shipping 4 2012-10-01 2012-10-01 false Responsibilities of master or person in charge. 109.109 Section 109.109 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) A-MOBILE OFFSHORE DRILLING UNITS OPERATIONS General § 109.109 Responsibilities of master or person in charge. (a) The master...

46 CFR 111.101-3 - General requirements.

Code of Federal Regulations, 2010 CFR

2010-10-01

.... (e) Each motor controller must be above the uppermost continuous deck. There must be a master switch at the controller and a master switch at the motor. The master switch at the motor must be disconnected from the circuit when the motor is started or stopped from the master switch at the controller. (f...

Lumping of degree-based mean-field and pair-approximation equations for multistate contact processes

NASA Astrophysics Data System (ADS)

Kyriakopoulos, Charalampos; Grossmann, Gerrit; Wolf, Verena; Bortolussi, Luca

2018-01-01

Contact processes form a large and highly interesting class of dynamic processes on networks, including epidemic and information-spreading networks. While devising stochastic models of such processes is relatively easy, analyzing them is very challenging from a computational point of view, particularly for large networks appearing in real applications. One strategy to reduce the complexity of their analysis is to rely on approximations, often in terms of a set of differential equations capturing the evolution of a random node, distinguishing nodes with different topological contexts (i.e., different degrees of different neighborhoods), such as degree-based mean-field (DBMF), approximate-master-equation (AME), or pair-approximation (PA) approaches. The number of differential equations so obtained is typically proportional to the maximum degree kmax of the network, which is much smaller than the size of the master equation of the underlying stochastic model, yet numerically solving these equations can still be problematic for large kmax. In this paper, we consider AME and PA, extended to cope with multiple local states, and we provide an aggregation procedure that clusters together nodes having similar degrees, treating those in the same cluster as indistinguishable, thus reducing the number of equations while preserving an accurate description of global observables of interest. We also provide an automatic way to build such equations and to identify a small number of degree clusters that give accurate results. The method is tested on several case studies, where it shows a high level of compression and a reduction of computational time of several orders of magnitude for large networks, with minimal loss in accuracy.

Fuchsia : A tool for reducing differential equations for Feynman master integrals to epsilon form

NASA Astrophysics Data System (ADS)

Gituliar, Oleksandr; Magerya, Vitaly

2017-10-01

We present Fuchsia - an implementation of the Lee algorithm, which for a given system of ordinary differential equations with rational coefficients ∂x J(x , ɛ) = A(x , ɛ) J(x , ɛ) finds a basis transformation T(x , ɛ) , i.e., J(x , ɛ) = T(x , ɛ) J‧(x , ɛ) , such that the system turns into the epsilon form : ∂xJ‧(x , ɛ) = ɛ S(x) J‧(x , ɛ) , where S(x) is a Fuchsian matrix. A system of this form can be trivially solved in terms of polylogarithms as a Laurent series in the dimensional regulator ɛ. That makes the construction of the transformation T(x , ɛ) crucial for obtaining solutions of the initial system. In principle, Fuchsia can deal with any regular systems, however its primary task is to reduce differential equations for Feynman master integrals. It ensures that solutions contain only regular singularities due to the properties of Feynman integrals. Program Files doi:http://dx.doi.org/10.17632/zj6zn9vfkh.1 Licensing provisions: MIT Programming language:Python 2.7 Nature of problem: Feynman master integrals may be calculated from solutions of a linear system of differential equations with rational coefficients. Such a system can be easily solved as an ɛ-series when its epsilon form is known. Hence, a tool which is able to find the epsilon form transformations can be used to evaluate Feynman master integrals. Solution method: The solution method is based on the Lee algorithm (Lee, 2015) which consists of three main steps: fuchsification, normalization, and factorization. During the fuchsification step a given system of differential equations is transformed into the Fuchsian form with the help of the Moser method (Moser, 1959). Next, during the normalization step the system is transformed to the form where eigenvalues of all residues are proportional to the dimensional regulator ɛ. Finally, the system is factorized to the epsilon form by finding an unknown transformation which satisfies a system of linear equations. Additional comments including Restrictions and Unusual features: Systems of single-variable differential equations are considered. A system needs to be reducible to Fuchsian form and eigenvalues of its residues must be of the form n + m ɛ, where n is integer. Performance depends upon the input matrix, its size, number of singular points and their degrees. It takes around an hour to reduce an example 74 × 74 matrix with 20 singular points on a PC with a 1.7 GHz Intel Core i5 CPU. An additional slowdown is to be expected for matrices with complex and/or irrational singular point locations, as these are particularly difficult for symbolic algebra software to handle.

Exact time-dependent solutions for a self-regulating gene.

PubMed

Ramos, A F; Innocentini, G C P; Hornos, J E M

2011-06-01

The exact time-dependent solution for the stochastic equations governing the behavior of a binary self-regulating gene is presented. Using the generating function technique to rephrase the master equations in terms of partial differential equations, we show that the model is totally integrable and the analytical solutions are the celebrated confluent Heun functions. Self-regulation plays a major role in the control of gene expression, and it is remarkable that such a microscopic model is completely integrable in terms of well-known complex functions.

Sur les processus linéaires de naissance et de mort sous-critiques dans un environnement aléatoire.

PubMed

Bacaër, Nicolas

2017-07-01

An explicit formula is found for the rate of extinction of subcritical linear birth-and-death processes in a random environment. The formula is illustrated by numerical computations of the eigenvalue with largest real part of the truncated matrix for the master equation. The generating function of the corresponding eigenvector satisfies a Fuchsian system of singular differential equations. A particular attention is set on the case of two environments, which leads to Riemann's differential equation.

[MODERN EDUCATIONAL TECHNOLOGY MASTERING PRACTICAL SKILLS OF GENERAL PRACTITIONERS].

PubMed

Kovalchuk, L I; Prokopchuk, Y V; Naydyonova, O V

2015-01-01

The article presents the experience of postgraduate training of general practitioners--family medicine. Identified current trends, forms and methods of pedagogical innovations that enhance the quality of learning and mastering the practical skills of primary professionals providing care.

Distribution of tunnelling times for quantum electron transport.

PubMed

Rudge, Samuel L; Kosov, Daniel S

2016-03-28

In electron transport, the tunnelling time is the time taken for an electron to tunnel out of a system after it has tunnelled in. We define the tunnelling time distribution for quantum processes in a dissipative environment and develop a practical approach for calculating it, where the environment is described by the general Markovian master equation. We illustrate the theory by using the rate equation to compute the tunnelling time distribution for electron transport through a molecular junction. The tunnelling time distribution is exponential, which indicates that Markovian quantum tunnelling is a Poissonian statistical process. The tunnelling time distribution is used not only to study the quantum statistics of tunnelling along the average electric current but also to analyse extreme quantum events where an electron jumps against the applied voltage bias. The average tunnelling time shows distinctly different temperature dependence for p- and n-type molecular junctions and therefore provides a sensitive tool to probe the alignment of molecular orbitals relative to the electrode Fermi energy.

On the consideration of scaling properties of extreme rainfall in Madrid (Spain) for developing a generalized intensity-duration-frequency equation and assessing probable maximum precipitation estimates

NASA Astrophysics Data System (ADS)

Casas-Castillo, M. Carmen; Rodríguez-Solà, Raúl; Navarro, Xavier; Russo, Beniamino; Lastra, Antonio; González, Paula; Redaño, Angel

2018-01-01

The fractal behavior of extreme rainfall intensities registered between 1940 and 2012 by the Retiro Observatory of Madrid (Spain) has been examined, and a simple scaling regime ranging from 25 min to 3 days of duration has been identified. Thus, an intensity-duration-frequency (IDF) master equation of the location has been constructed in terms of the simple scaling formulation. The scaling behavior of probable maximum precipitation (PMP) for durations between 5 min and 24 h has also been verified. For the statistical estimation of the PMP, an envelope curve of the frequency factor ( k m ) based on a total of 10,194 station-years of annual maximum rainfall from 258 stations in Spain has been developed. This curve could be useful to estimate suitable values of PMP at any point of the Iberian Peninsula from basic statistical parameters (mean and standard deviation) of its rainfall series. [Figure not available: see fulltext.

Autonomous rotor heat engine

NASA Astrophysics Data System (ADS)

Roulet, Alexandre; Nimmrichter, Stefan; Arrazola, Juan Miguel; Seah, Stella; Scarani, Valerio

2017-06-01

The triumph of heat engines is their ability to convert the disordered energy of thermal sources into useful mechanical motion. In recent years, much effort has been devoted to generalizing thermodynamic notions to the quantum regime, partly motivated by the promise of surpassing classical heat engines. Here, we instead adopt a bottom-up approach: we propose a realistic autonomous heat engine that can serve as a test bed for quantum effects in the context of thermodynamics. Our model draws inspiration from actual piston engines and is built from closed-system Hamiltonians and weak bath coupling terms. We analytically derive the performance of the engine in the classical regime via a set of nonlinear Langevin equations. In the quantum case, we perform numerical simulations of the master equation. Finally, we perform a dynamic and thermodynamic analysis of the engine's behavior for several parameter regimes in both the classical and quantum case and find that the latter exhibits a consistently lower efficiency due to additional noise.

Quantum teleportation through noisy channels with multi-qubit GHZ states

NASA Astrophysics Data System (ADS)

Espoukeh, Pakhshan; Pedram, Pouria

2014-08-01

We investigate two-party quantum teleportation through noisy channels for multi-qubit Greenberger-Horne-Zeilinger (GHZ) states and find which state loses less quantum information in the process. The dynamics of states is described by the master equation with the noisy channels that lead to the quantum channels to be mixed states. We analytically solve the Lindblad equation for -qubit GHZ states where Lindblad operators correspond to the Pauli matrices and describe the decoherence of states. Using the average fidelity, we show that 3GHZ state is more robust than GHZ state under most noisy channels. However, GHZ state preserves same quantum information with respect to Einstein-Podolsky-Rosen and 3GHZ states where the noise is in direction in which the fidelity remains unchanged. We explicitly show that Jung et al.'s conjecture (Phys Rev A 78:012312, 2008), namely "average fidelity with same-axis noisy channels is in general larger than average fidelity with different-axes noisy channels," is not valid for 3GHZ and 4GHZ states.

Fully Quantum Fluctuation Theorems

NASA Astrophysics Data System (ADS)

Åberg, Johan

2018-02-01

Systems that are driven out of thermal equilibrium typically dissipate random quantities of energy on microscopic scales. Crooks fluctuation theorem relates the distribution of these random work costs to the corresponding distribution for the reverse process. By an analysis that explicitly incorporates the energy reservoir that donates the energy and the control system that implements the dynamic, we obtain a quantum generalization of Crooks theorem that not only includes the energy changes in the reservoir but also the full description of its evolution, including coherences. Moreover, this approach opens up the possibility for generalizations of the concept of fluctuation relations. Here, we introduce "conditional" fluctuation relations that are applicable to nonequilibrium systems, as well as approximate fluctuation relations that allow for the analysis of autonomous evolution generated by global time-independent Hamiltonians. We furthermore extend these notions to Markovian master equations, implicitly modeling the influence of the heat bath.

Species abundance distribution and population dynamics in a two-community model of neutral ecology

NASA Astrophysics Data System (ADS)

Vallade, M.; Houchmandzadeh, B.

2006-11-01

Explicit formulas for the steady-state distribution of species in two interconnected communities of arbitrary sizes are derived in the framework of Hubbell’s neutral model of biodiversity. Migrations of seeds from both communities as well as mutations in both of them are taken into account. These results generalize those previously obtained for the “island-continent” model and they allow an analysis of the influence of the ratio of the sizes of the two communities on the dominance/diversity equilibrium. Exact expressions for species abundance distributions are deduced from a master equation for the joint probability distribution of species in the two communities. Moreover, an approximate self-consistent solution is derived. It corresponds to a generalization of previous results and it proves to be accurate over a broad range of parameters. The dynamical correlations between the abundances of a species in both communities are also discussed.

Application of the compensated Arrhenius formalism to explain the dielectric constant dependence of rates for Menschutkin reactions.

PubMed

Petrowsky, Matt; Glatzhofer, Daniel T; Frech, Roger

2013-11-21

The dependence of the reaction rate on solvent dielectric constant is examined for the reaction of trihexylamine with 1-bromohexane in a series of 2-ketones over the temperature range 25-80 °C. The rate constant data are analyzed using the compensated Arrhenius formalism (CAF), where the rate constant assumes an Arrhenius-like equation that also contains a dielectric constant dependence in the exponential prefactor. The CAF activation energies are substantially higher than those obtained using the simple Arrhenius equation. A master curve of the data is observed by plotting the prefactors against the solvent dielectric constant. The master curve shows that the reaction rate has a weak dependence on dielectric constant for values approximately less than 10 and increases more rapidly for dielectric constant values greater than 10.

Non-additive dissipation in open quantum networks out of equilibrium

NASA Astrophysics Data System (ADS)

Mitchison, Mark T.; Plenio, Martin B.

2018-03-01

We theoretically study a simple non-equilibrium quantum network whose dynamics can be expressed and exactly solved in terms of a time-local master equation. Specifically, we consider a pair of coupled fermionic modes, each one locally exchanging energy and particles with an independent, macroscopic thermal reservoir. We show that the generator of the asymptotic master equation is not additive, i.e. it cannot be expressed as a sum of contributions describing the action of each reservoir alone. Instead, we identify an additional interference term that generates coherences in the energy eigenbasis, associated with the current of conserved particles flowing in the steady state. Notably, non-additivity arises even for wide-band reservoirs coupled arbitrarily weakly to the system. Our results shed light on the non-trivial interplay between multiple thermal noise sources in modular open quantum systems.

Open quantum system approach to the modeling of spin recombination reactions.

PubMed

Tiersch, M; Steiner, U E; Popescu, S; Briegel, H J

2012-04-26

In theories of spin-dependent radical pair reactions, the time evolution of the radical pair, including the effect of the chemical kinetics, is described by a master equation in the Liouville formalism. For the description of the chemical kinetics, a number of possible reaction operators have been formulated in the literature. In this work, we present a framework that allows for a unified description of the various proposed mechanisms and the forms of reaction operators for the spin-selective recombination processes. On the basis of the concept that master equations can be derived from a microscopic description of the spin system interacting with external degrees of freedom, it is possible to gain insight into the underlying microscopic processes and develop a systematic approach toward determining the specific form of the reaction operator in concrete scenarios.

Stability of squashed Kaluza-Klein black holes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kimura, Masashi; Ishihara, Hideki; Murata, Keiju

2008-03-15

The stability of squashed Kaluza-Klein black holes is studied. The squashed Kaluza-Klein black hole looks like a five-dimensional black hole in the vicinity of horizon and looks like a four-dimensional Minkowski spacetime with a circle at infinity. In this sense, squashed Kaluza-Klein black holes can be regarded as black holes in the Kaluza-Klein spacetimes. Using the symmetry of squashed Kaluza-Klein black holes, SU(2)xU(1){approx_equal}U(2), we obtain master equations for a part of the metric perturbations relevant to the stability. The analysis based on the master equations gives strong evidence for the stability of squashed Kaluza-Klein black holes. Hence, the squashed Kaluza-Kleinmore » black holes deserve to be taken seriously as realistic black holes in the Kaluza-Klein spacetime.« less

Teaching Generalized Imitation Skills to a Preschooler with Autism Using Video Modeling

ERIC Educational Resources Information Center

Kleeberger, Vickie; Mirenda, Pat

2010-01-01

This study examined the effectiveness of video modeling to teach a preschooler with autism to imitate previously mastered and not mastered actions during song and toy play activities. A general case approach was used to examine the instructional universe of preschool songs and select exemplars that were most likely to facilitate generalization.…

Bose-Einstein condensation of light: general theory.

PubMed

Sob'yanin, Denis Nikolaevich

2013-08-01

A theory of Bose-Einstein condensation of light in a dye-filled optical microcavity is presented. The theory is based on the hierarchical maximum entropy principle and allows one to investigate the fluctuating behavior of the photon gas in the microcavity for all numbers of photons, dye molecules, and excitations at all temperatures, including the whole critical region. The master equation describing the interaction between photons and dye molecules in the microcavity is derived and the equivalence between the hierarchical maximum entropy principle and the master equation approach is shown. The cases of a fixed mean total photon number and a fixed total excitation number are considered, and a much sharper, nonparabolic onset of a macroscopic Bose-Einstein condensation of light in the latter case is demonstrated. The theory does not use the grand canonical approximation, takes into account the photon polarization degeneracy, and exactly describes the microscopic, mesoscopic, and macroscopic Bose-Einstein condensation of light. Under certain conditions, it predicts sub-Poissonian statistics of the photon condensate and the polarized photon condensate, and a universal relation takes place between the degrees of second-order coherence for these condensates. In the macroscopic case, there appear a sharp jump in the degrees of second-order coherence, a sharp jump and kink in the reduced standard deviations of the fluctuating numbers of photons in the polarized and whole condensates, and a sharp peak, a cusp, of the Mandel parameter for the whole condensate in the critical region. The possibility of nonclassical light generation in the microcavity with the photon Bose-Einstein condensate is predicted.

Exact calculation of the time convolutionless master equation generator: Application to the nonequilibrium resonant level model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kidon, Lyran; The Sackler Center for Computational Molecular and Materials Science, Tel Aviv University, Tel Aviv 69978; Wilner, Eli Y.

2015-12-21

The generalized quantum master equation provides a powerful tool to describe the dynamics in quantum impurity models driven away from equilibrium. Two complementary approaches, one based on Nakajima–Zwanzig–Mori time-convolution (TC) and the other on the Tokuyama–Mori time-convolutionless (TCL) formulations provide a starting point to describe the time-evolution of the reduced density matrix. A key in both approaches is to obtain the so called “memory kernel” or “generator,” going beyond second or fourth order perturbation techniques. While numerically converged techniques are available for the TC memory kernel, the canonical approach to obtain the TCL generator is based on inverting a super-operatormore » in the full Hilbert space, which is difficult to perform and thus, nearly all applications of the TCL approach rely on a perturbative scheme of some sort. Here, the TCL generator is expressed using a reduced system propagator which can be obtained from system observables alone and requires the calculation of super-operators and their inverse in the reduced Hilbert space rather than the full one. This makes the formulation amenable to quantum impurity solvers or to diagrammatic techniques, such as the nonequilibrium Green’s function. We implement the TCL approach for the resonant level model driven away from equilibrium and compare the time scales for the decay of the generator with that of the memory kernel in the TC approach. Furthermore, the effects of temperature, source-drain bias, and gate potential on the TCL/TC generators are discussed.« less

Lumping of degree-based mean-field and pair-approximation equations for multistate contact processes.

PubMed

Kyriakopoulos, Charalampos; Grossmann, Gerrit; Wolf, Verena; Bortolussi, Luca

2018-01-01

Contact processes form a large and highly interesting class of dynamic processes on networks, including epidemic and information-spreading networks. While devising stochastic models of such processes is relatively easy, analyzing them is very challenging from a computational point of view, particularly for large networks appearing in real applications. One strategy to reduce the complexity of their analysis is to rely on approximations, often in terms of a set of differential equations capturing the evolution of a random node, distinguishing nodes with different topological contexts (i.e., different degrees of different neighborhoods), such as degree-based mean-field (DBMF), approximate-master-equation (AME), or pair-approximation (PA) approaches. The number of differential equations so obtained is typically proportional to the maximum degree k_{max} of the network, which is much smaller than the size of the master equation of the underlying stochastic model, yet numerically solving these equations can still be problematic for large k_{max}. In this paper, we consider AME and PA, extended to cope with multiple local states, and we provide an aggregation procedure that clusters together nodes having similar degrees, treating those in the same cluster as indistinguishable, thus reducing the number of equations while preserving an accurate description of global observables of interest. We also provide an automatic way to build such equations and to identify a small number of degree clusters that give accurate results. The method is tested on several case studies, where it shows a high level of compression and a reduction of computational time of several orders of magnitude for large networks, with minimal loss in accuracy.

Globally coupled stochastic two-state oscillators: fluctuations due to finite numbers.

PubMed

Pinto, Italo'Ivo Lima Dias; Escaff, Daniel; Harbola, Upendra; Rosas, Alexandre; Lindenberg, Katja

2014-05-01

Infinite arrays of coupled two-state stochastic oscillators exhibit well-defined steady states. We study the fluctuations that occur when the number N of oscillators in the array is finite. We choose a particular form of global coupling that in the infinite array leads to a pitchfork bifurcation from a monostable to a bistable steady state, the latter with two equally probable stationary states. The control parameter for this bifurcation is the coupling strength. In finite arrays these states become metastable: The fluctuations lead to distributions around the most probable states, with one maximum in the monostable regime and two maxima in the bistable regime. In the latter regime, the fluctuations lead to transitions between the two peak regions of the distribution. Also, we find that the fluctuations break the symmetry in the bimodal regime, that is, one metastable state becomes more probable than the other, increasingly so with increasing array size. To arrive at these results, we start from microscopic dynamical evolution equations from which we derive a Langevin equation that exhibits an interesting multiplicative noise structure. We also present a master equation description of the dynamics. Both of these equations lead to the same Fokker-Planck equation, the master equation via a 1/N expansion and the Langevin equation via standard methods of Itô calculus for multiplicative noise. From the Fokker-Planck equation we obtain an effective potential that reflects the transition from the monomodal to the bimodal distribution as a function of a control parameter. We present a variety of numerical and analytic results that illustrate the strong effects of the fluctuations. We also show that the limits N → ∞ and t → ∞ (t is the time) do not commute. In fact, the two orders of implementation lead to drastically different results.

Globally coupled stochastic two-state oscillators: Fluctuations due to finite numbers

NASA Astrophysics Data System (ADS)

Pinto, Italo'Ivo Lima Dias; Escaff, Daniel; Harbola, Upendra; Rosas, Alexandre; Lindenberg, Katja

2014-05-01

Infinite arrays of coupled two-state stochastic oscillators exhibit well-defined steady states. We study the fluctuations that occur when the number N of oscillators in the array is finite. We choose a particular form of global coupling that in the infinite array leads to a pitchfork bifurcation from a monostable to a bistable steady state, the latter with two equally probable stationary states. The control parameter for this bifurcation is the coupling strength. In finite arrays these states become metastable: The fluctuations lead to distributions around the most probable states, with one maximum in the monostable regime and two maxima in the bistable regime. In the latter regime, the fluctuations lead to transitions between the two peak regions of the distribution. Also, we find that the fluctuations break the symmetry in the bimodal regime, that is, one metastable state becomes more probable than the other, increasingly so with increasing array size. To arrive at these results, we start from microscopic dynamical evolution equations from which we derive a Langevin equation that exhibits an interesting multiplicative noise structure. We also present a master equation description of the dynamics. Both of these equations lead to the same Fokker-Planck equation, the master equation via a 1/N expansion and the Langevin equation via standard methods of Itô calculus for multiplicative noise. From the Fokker-Planck equation we obtain an effective potential that reflects the transition from the monomodal to the bimodal distribution as a function of a control parameter. We present a variety of numerical and analytic results that illustrate the strong effects of the fluctuations. We also show that the limits N →∞ and t →∞ (t is the time) do not commute. In fact, the two orders of implementation lead to drastically different results.

QmeQ 1.0: An open-source Python package for calculations of transport through quantum dot devices

NASA Astrophysics Data System (ADS)

Kiršanskas, Gediminas; Pedersen, Jonas Nyvold; Karlström, Olov; Leijnse, Martin; Wacker, Andreas

2017-12-01

QmeQ is an open-source Python package for numerical modeling of transport through quantum dot devices with strong electron-electron interactions using various approximate master equation approaches. The package provides a framework for calculating stationary particle or energy currents driven by differences in chemical potentials or temperatures between the leads which are tunnel coupled to the quantum dots. The electronic structures of the quantum dots are described by their single-particle states and the Coulomb matrix elements between the states. When transport is treated perturbatively to lowest order in the tunneling couplings, the possible approaches are Pauli (classical), first-order Redfield, and first-order von Neumann master equations, and a particular form of the Lindblad equation. When all processes involving two-particle excitations in the leads are of interest, the second-order von Neumann approach can be applied. All these approaches are implemented in QmeQ. We here give an overview of the basic structure of the package, give examples of transport calculations, and outline the range of applicability of the different approximate approaches.

Partially coherent electron transport in terahertz quantum cascade lasers based on a Markovian master equation for the density matrix

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jonasson, O.; Karimi, F.; Knezevic, I.

2016-08-01

We derive a Markovian master equation for the single-electron density matrix, applicable to quantum cascade lasers (QCLs). The equation conserves the positivity of the density matrix, includes off-diagonal elements (coherences) as well as in-plane dynamics, and accounts for electron scattering with phonons and impurities. We use the model to simulate a terahertz-frequency QCL, and compare the results with both experiment and simulation via nonequilibrium Green's functions (NEGF). We obtain very good agreement with both experiment and NEGF when the QCL is biased for optimal lasing. For the considered device, we show that the magnitude of coherences can be a significantmore » fraction of the diagonal matrix elements, which demonstrates their importance when describing THz QCLs. We show that the in-plane energy distribution can deviate far from a heated Maxwellian distribution, which suggests that the assumption of thermalized subbands in simplified density-matrix models is inadequate. As a result, we also show that the current density and subband occupations relax towards their steady-state values on very different time scales.« less

Hierarchical Equation of Motion Investigation of Decoherence and Relaxation Dynamics in Nonequilibrium Transport through Interacting Quantum Dots

NASA Astrophysics Data System (ADS)

Hartle, Rainer; Cohen, Guy; Reichman, David R.; Millis, Andrew J.

2014-03-01

A recently developed hierarchical quantum master equation approach is used to investigate nonequilibrium electron transport through an interacting double quantum dot system in the regime where the inter-dot coupling is weaker than the coupling to the electrodes. The corresponding eigenstates provide tunneling paths that may interfere constructively or destructively, depending on the energy of the tunneling electrons. Electron-electron interactions are shown to quench these interference effects in bias-voltage dependent ways, leading, in particular, to negative differential resistance, population inversion and an enhanced broadening of resonances in the respective transport characteristics. Relaxation times are found to be very long, and to be correlated with very slow dynamics of the inter-dot coherences (off diagonal density matrix elements). The ability of the hierarchical quantum master equation approach to access very long time scales is crucial for the study of this physics. This work is supported by the National Science Foundation (NSF DMR-1006282 and NSF CHE-1213247), the Yad Hanadiv-Rothschild Foundation (via a Rothschild Fellowship for GC) and the Alexander von Humboldt Foundation (via a Feodor Lynen fellowship for RH).

Stochastic effects in a thermochemical system with Newtonian heat exchange.

PubMed

Nowakowski, B; Lemarchand, A

2001-12-01

We develop a mesoscopic description of stochastic effects in the Newtonian heat exchange between a diluted gas system and a thermostat. We explicitly study the homogeneous Semenov model involving a thermochemical reaction and neglecting consumption of reactants. The master equation includes a transition rate for the thermal transfer process, which is derived on the basis of the statistics for inelastic collisions between gas particles and walls of the thermostat. The main assumption is that the perturbation of the Maxwellian particle velocity distribution can be neglected. The transition function for the thermal process admits a continuous spectrum of temperature changes, and consequently, the master equation has a complicated integro-differential form. We perform Monte Carlo simulations based on this equation to study the stochastic effects in the Semenov system in the explosive regime. The dispersion of ignition times is calculated as a function of system size. For sufficiently small systems, the probability distribution of temperature displays transient bimodality during the ignition period. The results of the stochastic description are successfully compared with those of direct simulations of microscopic particle dynamics.

30. Photocopy of map. Insert, p. 138, Master Plan Report, ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

30. Photocopy of map. Insert, p. 138, Master Plan Report, 1960, Vol. II. Layton, Layton and Rohrbach, General Planning and Resource Consultants. 1960 MASTER PLAN, SHOWING PROPOSED LOCATION OF LINNAEAN HOUSE - Missouri Botanical Garden, 2345 Tower Grove Avenue, Saint Louis, Independent City, MO

Using some results about the Lie evolution of differential operators to obtain the Fokker-Planck equation for non-Hamiltonian dynamical systems of interest

NASA Astrophysics Data System (ADS)

Bianucci, Marco

2018-05-01

Finding the generalized Fokker-Planck Equation (FPE) for the reduced probability density function of a subpart of a given complex system is a classical issue of statistical mechanics. Zwanzig projection perturbation approach to this issue leads to the trouble of resumming a series of commutators of differential operators that we show to correspond to solving the Lie evolution of first order differential operators along the unperturbed Liouvillian of the dynamical system of interest. In this paper, we develop in a systematic way the procedure to formally solve this problem. In particular, here we show which the basic assumptions are, concerning the dynamical system of interest, necessary for the Lie evolution to be a group on the space of first order differential operators, and we obtain the coefficients of the so-evolved operators. It is thus demonstrated that if the Liouvillian of the system of interest is not a first order differential operator, in general, the FPE structure breaks down and the master equation contains all the power of the partial derivatives, up to infinity. Therefore, this work shed some light on the trouble of the ubiquitous emergence of both thermodynamics from microscopic systems and regular regression laws at macroscopic scales. However these results are very general and can be applied also in other contexts that are non-Hamiltonian as, for example, geophysical fluid dynamics, where important events, like El Niño, can be considered as large time scale phenomena emerging from the observation of few ocean degrees of freedom of a more complex system, including the interaction with the atmosphere.

Kinetic theory of age-structured stochastic birth-death processes

NASA Astrophysics Data System (ADS)

Greenman, Chris D.; Chou, Tom

2016-01-01

Classical age-structured mass-action models such as the McKendrick-von Foerster equation have been extensively studied but are unable to describe stochastic fluctuations or population-size-dependent birth and death rates. Stochastic theories that treat semi-Markov age-dependent processes using, e.g., the Bellman-Harris equation do not resolve a population's age structure and are unable to quantify population-size dependencies. Conversely, current theories that include size-dependent population dynamics (e.g., mathematical models that include carrying capacity such as the logistic equation) cannot be easily extended to take into account age-dependent birth and death rates. In this paper, we present a systematic derivation of a new, fully stochastic kinetic theory for interacting age-structured populations. By defining multiparticle probability density functions, we derive a hierarchy of kinetic equations for the stochastic evolution of an aging population undergoing birth and death. We show that the fully stochastic age-dependent birth-death process precludes factorization of the corresponding probability densities, which then must be solved by using a Bogoliubov--Born--Green--Kirkwood--Yvon-like hierarchy. Explicit solutions are derived in three limits: no birth, no death, and steady state. These are then compared with their corresponding mean-field results. Our results generalize both deterministic models and existing master equation approaches by providing an intuitive and efficient way to simultaneously model age- and population-dependent stochastic dynamics applicable to the study of demography, stem cell dynamics, and disease evolution.

49 CFR 192.1015 - What must a master meter or small liquefied petroleum gas (LPG) operator do to implement this...

Code of Federal Regulations, 2014 CFR

2014-10-01

... 49 Transportation 3 2014-10-01 2014-10-01 false What must a master meter or small liquefied... a master meter or small liquefied petroleum gas (LPG) operator do to implement this subpart? (a) General. No later than August 2, 2011 the operator of a master meter system or a small LPG operator must...

49 CFR 192.1015 - What must a master meter or small liquefied petroleum gas (LPG) operator do to implement this...

Code of Federal Regulations, 2013 CFR

2013-10-01

... 49 Transportation 3 2013-10-01 2013-10-01 false What must a master meter or small liquefied... a master meter or small liquefied petroleum gas (LPG) operator do to implement this subpart? (a) General. No later than August 2, 2011 the operator of a master meter system or a small LPG operator must...

49 CFR 192.1015 - What must a master meter or small liquefied petroleum gas (LPG) operator do to implement this...

Code of Federal Regulations, 2012 CFR

2012-10-01

... 49 Transportation 3 2012-10-01 2012-10-01 false What must a master meter or small liquefied... a master meter or small liquefied petroleum gas (LPG) operator do to implement this subpart? (a) General. No later than August 2, 2011 the operator of a master meter system or a small LPG operator must...

Non-Markovian dynamics of a qubit due to single-photon scattering in a waveguide

NASA Astrophysics Data System (ADS)

Fang, Yao-Lung L.; Ciccarello, Francesco; Baranger, Harold U.

2018-04-01

We investigate the open dynamics of a qubit due to scattering of a single photon in an infinite or semi-infinite waveguide. Through an exact solution of the time-dependent multi-photon scattering problem, we find the qubit's dynamical map. Tools of open quantum systems theory allow us then to show the general features of this map, find the corresponding non-Linbladian master equation, and assess in a rigorous way its non-Markovian nature. The qubit dynamics has distinctive features that, in particular, do not occur in emission processes. Two fundamental sources of non-Markovianity are present: the finite width of the photon wavepacket and the time delay for propagation between the qubit and the end of the semi-infinite waveguide.

Consequences of Irreversibility in Fundamental Models of Transcription

NASA Astrophysics Data System (ADS)

Sevier, Stuart; Levine, Herbert

2015-03-01

The ability to watch biochemical events play out at the single-molecule level has led to the discovery that transcription occurs in a noisy, ``bursty'' manner. Recently, as the single-molecule lens is placed over a larger number of organisms and genes, relationships between mean expression and noise beyond the ``bursty'' paradigm have emerged. Through a master-equation formulation of transcription we have found that many powerful physical principles relating to irreversibility seem to play a central role in the newly uncovered trends. Specifically, the relationships between mean expression and noise appears to be a direct consequence of network currents. We discuss how emphasizing the underlying principles in the models can explain recent experimental data and lead to a generalized view of transcription.

Stochastic Analysis of Reaction–Diffusion Processes

PubMed Central

Hu, Jifeng; Kang, Hye-Won

2013-01-01

Reaction and diffusion processes are used to model chemical and biological processes over a wide range of spatial and temporal scales. Several routes to the diffusion process at various levels of description in time and space are discussed and the master equation for spatially discretized systems involving reaction and diffusion is developed. We discuss an estimator for the appropriate compartment size for simulating reaction–diffusion systems and introduce a measure of fluctuations in a discretized system. We then describe a new computational algorithm for implementing a modified Gillespie method for compartmental systems in which reactions are aggregated into equivalence classes and computational cells are searched via an optimized tree structure. Finally, we discuss several examples that illustrate the issues that have to be addressed in general systems. PMID:23719732

Sport commitment and participation in masters swimmers: the influence of coach and teammates.

PubMed

Santi, Giampaolo; Bruton, Adam; Pietrantoni, Luca; Mellalieu, Stephen

2014-01-01

This study investigated how coach and teammates influence masters athletes' sport commitment, and the effect of functional and obligatory commitments on participation in masters swimming. The sample consisted of 523 masters swimmers (330 males and 193 females) aged between 22 and 83 years (M = 39.00, SD = 10.42). A bi-dimensional commitment scale was used to measure commitment dimensions and perceived influence from social agents. Structural equation modelling analysis was conducted to evaluate the influence of social agents on functional and obligatory commitments, and the predictive capabilities of the two types of commitment towards sport participation. Support provided by coach and teammates increased functional commitment, constraints from these social agents determined higher obligatory commitment, and coach constraints negatively impacted functional commitment. In addition, both commitment types predicted training participation, with functional commitment increasing participation in team training sessions, and obligatory commitment increasing the hours of individual training. The findings suggest that in order to increase participation in masters swimming teams and reduce non-supervised training, coach and teammates should exhibit a supportive attitude and avoid over expectation.

The ε-form of the differential equations for Feynman integrals in the elliptic case

NASA Astrophysics Data System (ADS)

Adams, Luise; Weinzierl, Stefan

2018-06-01

Feynman integrals are easily solved if their system of differential equations is in ε-form. In this letter we show by the explicit example of the kite integral family that an ε-form can even be achieved, if the Feynman integrals do not evaluate to multiple polylogarithms. The ε-form is obtained by a (non-algebraic) change of basis for the master integrals.

Comparison of Control Approaches in Genetic Regulatory Networks by Using Stochastic Master Equation Models, Probabilistic Boolean Network Models and Differential Equation Models and Estimated Error Analyzes

NASA Astrophysics Data System (ADS)

Caglar, Mehmet Umut; Pal, Ranadip

2011-03-01

Central dogma of molecular biology states that ``information cannot be transferred back from protein to either protein or nucleic acid''. However, this assumption is not exactly correct in most of the cases. There are a lot of feedback loops and interactions between different levels of systems. These types of interactions are hard to analyze due to the lack of cell level data and probabilistic - nonlinear nature of interactions. Several models widely used to analyze and simulate these types of nonlinear interactions. Stochastic Master Equation (SME) models give probabilistic nature of the interactions in a detailed manner, with a high calculation cost. On the other hand Probabilistic Boolean Network (PBN) models give a coarse scale picture of the stochastic processes, with a less calculation cost. Differential Equation (DE) models give the time evolution of mean values of processes in a highly cost effective way. The understanding of the relations between the predictions of these models is important to understand the reliability of the simulations of genetic regulatory networks. In this work the success of the mapping between SME, PBN and DE models is analyzed and the accuracy and affectivity of the control policies generated by using PBN and DE models is compared.

On the Perturbative Equivalence Between the Hamiltonian and Lagrangian Quantizations

NASA Astrophysics Data System (ADS)

Batalin, I. A.; Tyutin, I. V.

The Hamiltonian (BFV) and Lagrangian (BV) quantization schemes are proved to be perturbatively equivalent to each other. It is shown in particular that the quantum master equation being treated perturbatively possesses a local formal solution.

Protecting coherence by environmental decoherence: a solvable paradigmatic model

NASA Astrophysics Data System (ADS)

Torres, Juan Mauricio; Seligman, Thomas H.

2017-11-01

We consider a particularly simple exactly solvable model for a qubit coupled to sequentially nested environments. The purpose is to exemplify the coherence conserving effect of a central system, that has been reported as a result of increasing the coupling between near and far environment. The paradigmatic example is the Jaynes-Cummings Hamiltonian, which we introduce into a Kossakowski-Lindblad master equation using alternatively the lowering operator of the oscillator or its number operator as Lindblad operators. The harmonic oscillator is regarded as the near environment of the qubit, while effects of a far environment are accounted for by the two options for the dissipative part of the master equation. The exact solution allows us to cover the entire range of coupling strength from the perturbative regime to strong coupling analytically. The coherence conserving effect of the coupling to the far environment is confirmed throughout.

Stabilization of the Simplest Criegee Intermediate from the Reaction between Ozone and Ethylene: A High-Level Quantum Chemical and Kinetic Analysis of Ozonolysis.

PubMed

Nguyen, Thanh Lam; Lee, Hyunwoo; Matthews, Devin A; McCarthy, Michael C; Stanton, John F

2015-06-04

The fraction of the collisionally stabilized Criegee species CH2OO produced from the ozonolysis of ethylene is calculated using a two-dimensional (E, J)-grained master equation technique and semiclassical transition-state theory based on the potential energy surface obtained from high-accuracy quantum chemical calculations. Our calculated yield of 42 ± 6% for the stabilized CH2OO agrees well, within experimental error, with available (indirect) experimental results. Inclusion of angular momentum in the master equation is found to play an essential role in bringing the theoretical results into agreement with the experiment. Additionally, yields of HO and HO2 radical products are predicted to be 13 ± 6% and 17 ± 6%, respectively. In the kinetic simulation, the HO radical product is produced mostly from the stepwise decomposition mechanism of primary ozonide rather than from dissociation of hot CH2OO.

Sharp peaks in the conductance of a double quantum dot and a quantum-dot spin valve at high temperatures: A hierarchical quantum master equation approach

NASA Astrophysics Data System (ADS)

Wenderoth, S.; Bätge, J.; Härtle, R.

2016-09-01

We study sharp peaks in the conductance-voltage characteristics of a double quantum dot and a quantum dot spin valve that are located around zero bias. The peaks share similarities with a Kondo peak but can be clearly distinguished, in particular as they occur at high temperatures. The underlying physical mechanism is a strong current suppression that is quenched in bias-voltage dependent ways by exchange interactions. Our theoretical results are based on the quantum master equation methodology, including the Born-Markov approximation and a numerically exact, hierarchical scheme, which we extend here to the spin-valve case. The comparison of exact and approximate results allows us to reveal the underlying physical mechanisms, the role of first-, second- and beyond-second-order processes and the robustness of the effect.

Rapidity window dependences of higher order cumulants and diffusion master equation

NASA Astrophysics Data System (ADS)

Kitazawa, Masakiyo

2015-10-01

We study the rapidity window dependences of higher order cumulants of conserved charges observed in relativistic heavy ion collisions. The time evolution and the rapidity window dependence of the non-Gaussian fluctuations are described by the diffusion master equation. Analytic formulas for the time evolution of cumulants in a rapidity window are obtained for arbitrary initial conditions. We discuss that the rapidity window dependences of the non-Gaussian cumulants have characteristic structures reflecting the non-equilibrium property of fluctuations, which can be observed in relativistic heavy ion collisions with the present detectors. It is argued that various information on the thermal and transport properties of the hot medium can be revealed experimentally by the study of the rapidity window dependences, especially by the combined use, of the higher order cumulants. Formulas of higher order cumulants for a probability distribution composed of sub-probabilities, which are useful for various studies of non-Gaussian cumulants, are also presented.

General Alphonse Juin: A Case Study in Leadership and Coalition Warfare (Italy 1943-1944)

DTIC Science & Technology

2011-04-04

Master of Military Studies Research Paper September 2009 - April 2010 4. TITLE AND SUBTITLE Sa. CONTRACT NUMBER GENERAL ALPHONSE JUIN .. N/A A CASE...the command of General Alphonse Juin to the Italian Campaign during World War.ll was of cri.tical importance to the Allied war effort. It enabled...Command Quantico, Virginia 22134-5068 MASTER OF :MILITARY STUDIES TITLE: GENERAL ALPHONSE JUIN A CASE STUDY IN LEADERSIDP AND COALITION WARFARE

Stochastic description of quantum Brownian dynamics

NASA Astrophysics Data System (ADS)

Yan, Yun-An; Shao, Jiushu

2016-08-01

Classical Brownian motion has well been investigated since the pioneering work of Einstein, which inspired mathematicians to lay the theoretical foundation of stochastic processes. A stochastic formulation for quantum dynamics of dissipative systems described by the system-plus-bath model has been developed and found many applications in chemical dynamics, spectroscopy, quantum transport, and other fields. This article provides a tutorial review of the stochastic formulation for quantum dissipative dynamics. The key idea is to decouple the interaction between the system and the bath by virtue of the Hubbard-Stratonovich transformation or Itô calculus so that the system and the bath are not directly entangled during evolution, rather they are correlated due to the complex white noises introduced. The influence of the bath on the system is thereby defined by an induced stochastic field, which leads to the stochastic Liouville equation for the system. The exact reduced density matrix can be calculated as the stochastic average in the presence of bath-induced fields. In general, the plain implementation of the stochastic formulation is only useful for short-time dynamics, but not efficient for long-time dynamics as the statistical errors go very fast. For linear and other specific systems, the stochastic Liouville equation is a good starting point to derive the master equation. For general systems with decomposable bath-induced processes, the hierarchical approach in the form of a set of deterministic equations of motion is derived based on the stochastic formulation and provides an effective means for simulating the dissipative dynamics. A combination of the stochastic simulation and the hierarchical approach is suggested to solve the zero-temperature dynamics of the spin-boson model. This scheme correctly describes the coherent-incoherent transition (Toulouse limit) at moderate dissipation and predicts a rate dynamics in the overdamped regime. Challenging problems such as the dynamical description of quantum phase transition (local- ization) and the numerical stability of the trace-conserving, nonlinear stochastic Liouville equation are outlined.

Creating Content Acquisition Podcasts (CAPs) for Vocabulary: The Intersection of Content, Pedagogy, and Technology

ERIC Educational Resources Information Center

Weiss, Margaret P.; Evmenova, Anya S.; Kennedy, Michael J.; Duke, Jodi M.

2016-01-01

Mastering content vocabulary is critical to the success of students with high-incidence disabilities in the general education curriculum. General education classrooms often do not offer the opportunities necessary for these students to master important vocabulary. Teachers often look to technology to help. Several studies have indicated that…

Theory and modeling of atmospheric turbulence, part 2

NASA Technical Reports Server (NTRS)

Chen, C. M.

1984-01-01

Two dimensional geostrophic turbulence driven by a random force is investigated. Based on the Liouville equation, which simulates the primitive hydrodynamical equations, a group-kinetic theory of turbulence is developed and the kinetic equation of the scaled singlet distribution is derived. The kinetic equation is transformed into an equation of spectral balance in the equilibrium and non-equilibrium states. Comparison is made between the propagators and the Green's functions in the case of the non-asymptotic quasi-linear equation to prove the equivalence of both kinds of approximations used to describe perturbed trajectories of plasma turbulence. The microdynamical state of fluid turbulence is described by a hydrodynamical system and transformed into a master equation analogous to the Vlasov equation for plasma turbulence. The spectral balance for the velocity fluctuations of individual components shows that the scaled pressure strain correlation and the cascade transfer are two transport functions that play the most important roles.

Proliferation of Masters Degrees in General Administration: Refocusing School Leadership Reform

ERIC Educational Resources Information Center

Gahungu, Athanase

2010-01-01

The proliferation of inappropriate master's degrees in educational administration is a tough challenge facing efforts to reform school leadership in the nation. In the state of Illinois alone, there are 26 universities and colleges offering 32 master's degree programs in educational leadership. In all, candidates enroll in 16 different types of…

46 CFR 109.107 - Designation of master or person in charge.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 4 2010-10-01 2010-10-01 false Designation of master or person in charge. 109.107 Section 109.107 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) A-MOBILE OFFSHORE DRILLING UNITS OPERATIONS General § 109.107 Designation of master or person in charge. The owner of a unit...

46 CFR 109.107 - Designation of master or person in charge.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 46 Shipping 4 2012-10-01 2012-10-01 false Designation of master or person in charge. 109.107 Section 109.107 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) A-MOBILE OFFSHORE DRILLING UNITS OPERATIONS General § 109.107 Designation of master or person in charge. The owner of a unit...

46 CFR 109.107 - Designation of master or person in charge.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 4 2013-10-01 2013-10-01 false Designation of master or person in charge. 109.107 Section 109.107 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) A-MOBILE OFFSHORE DRILLING UNITS OPERATIONS General § 109.107 Designation of master or person in charge. The owner of a unit...

46 CFR 109.107 - Designation of master or person in charge.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 46 Shipping 4 2011-10-01 2011-10-01 false Designation of master or person in charge. 109.107 Section 109.107 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) A-MOBILE OFFSHORE DRILLING UNITS OPERATIONS General § 109.107 Designation of master or person in charge. The owner of a unit...

46 CFR 109.107 - Designation of master or person in charge.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 46 Shipping 4 2014-10-01 2014-10-01 false Designation of master or person in charge. 109.107 Section 109.107 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) A-MOBILE OFFSHORE DRILLING UNITS OPERATIONS General § 109.107 Designation of master or person in charge. The owner of a unit...

9 CFR 113.450 - General requirements for antibody products.

Code of Federal Regulations, 2013 CFR

2013-01-01

... transfer as well as for the prevention and/or alleviation of a specific viral or bacterial disease shall be... each antigen, a Master Seed shall be established. (i) Bacterial Master Seeds shall be tested for purity and identity as prescribed for live bacterial vaccines in § 113.64. (ii) Viral Master Seeds shall be...

9 CFR 113.450 - General requirements for antibody products.

Code of Federal Regulations, 2012 CFR

2012-01-01

... transfer as well as for the prevention and/or alleviation of a specific viral or bacterial disease shall be... each antigen, a Master Seed shall be established. (i) Bacterial Master Seeds shall be tested for purity and identity as prescribed for live bacterial vaccines in § 113.64. (ii) Viral Master Seeds shall be...

9 CFR 113.450 - General requirements for antibody products.

Code of Federal Regulations, 2011 CFR

2011-01-01

... transfer as well as for the prevention and/or alleviation of a specific viral or bacterial disease shall be... each antigen, a Master Seed shall be established. (i) Bacterial Master Seeds shall be tested for purity and identity as prescribed for live bacterial vaccines in § 113.64. (ii) Viral Master Seeds shall be...

9 CFR 113.450 - General requirements for antibody products.

Code of Federal Regulations, 2014 CFR

2014-01-01

... transfer as well as for the prevention and/or alleviation of a specific viral or bacterial disease shall be... each antigen, a Master Seed shall be established. (i) Bacterial Master Seeds shall be tested for purity and identity as prescribed for live bacterial vaccines in § 113.64. (ii) Viral Master Seeds shall be...

Stochastic model of financial markets reproducing scaling and memory in volatility return intervals

NASA Astrophysics Data System (ADS)

Gontis, V.; Havlin, S.; Kononovicius, A.; Podobnik, B.; Stanley, H. E.

2016-11-01

We investigate the volatility return intervals in the NYSE and FOREX markets. We explain previous empirical findings using a model based on the interacting agent hypothesis instead of the widely-used efficient market hypothesis. We derive macroscopic equations based on the microscopic herding interactions of agents and find that they are able to reproduce various stylized facts of different markets and different assets with the same set of model parameters. We show that the power-law properties and the scaling of return intervals and other financial variables have a similar origin and could be a result of a general class of non-linear stochastic differential equations derived from a master equation of an agent system that is coupled by herding interactions. Specifically, we find that this approach enables us to recover the volatility return interval statistics as well as volatility probability and spectral densities for the NYSE and FOREX markets, for different assets, and for different time-scales. We find also that the historical S&P500 monthly series exhibits the same volatility return interval properties recovered by our proposed model. Our statistical results suggest that human herding is so strong that it persists even when other evolving fluctuations perturbate the financial system.

Investigating the two-moment characterisation of subcellular biochemical networks.

PubMed

Ullah, Mukhtar; Wolkenhauer, Olaf

2009-10-07

While ordinary differential equations (ODEs) form the conceptual framework for modelling many cellular processes, specific situations demand stochastic models to capture the influence of noise. The most common formulation of stochastic models for biochemical networks is the chemical master equation (CME). While stochastic simulations are a practical way to realise the CME, analytical approximations offer more insight into the influence of noise. Towards that end, the two-moment approximation (2MA) is a promising addition to the established analytical approaches including the chemical Langevin equation (CLE) and the related linear noise approximation (LNA). The 2MA approach directly tracks the mean and (co)variance which are coupled in general. This coupling is not obvious in CME and CLE and ignored by LNA and conventional ODE models. We extend previous derivations of 2MA by allowing (a) non-elementary reactions and (b) relative concentrations. Often, several elementary reactions are approximated by a single step. Furthermore, practical situations often require the use of relative concentrations. We investigate the applicability of the 2MA approach to the well-established fission yeast cell cycle model. Our analytical model reproduces the clustering of cycle times observed in experiments. This is explained through multiple resettings of M-phase promoting factor (MPF), caused by the coupling between mean and (co)variance, near the G2/M transition.

A fashion model with social interaction

NASA Astrophysics Data System (ADS)

Nakayama, Shoichiro; Nakamura, Yasuyuki

2004-06-01

In general, it is difficult to investigate social phenomena mathematically or quantitatively due to non-linear interactions. Statistical physics can provide powerful methods for studying social phenomena with interactions, and could be very useful for them. In this study, we take a focus on fashion as a social phenomenon with interaction. The social interaction considered here are “bandwagon effect” and “snob effect.” In the bandwagon effect, the correlation between one's behavior and others is positive. People feel fashion weary or boring when it is overly popular. This is the snob effect. It is assumed that the fashion phenomenon is formed by the aggregation of individual's binary choice, that is, the fashion is adopted or not. We formulate the fashion phenomenon as the logit model, which is based on the random utility theory in social science, especially economics. The model derived here basically has the similarity with the pioneering model by Weidlich (Phys. Rep. 204 (1991) 1), which was derived from the master equation, the Langevin equation, or the Fokker-Planck equation. This study seems to give the behavioral or behaviormetrical foundation to his model. As a result of dynamical analysis, it is found that in the case that both the bandwagon effect and the snob effect work, periodic or chaotic behavior of fashion occurs under certain conditions.

Decoherence at constant excitation

NASA Astrophysics Data System (ADS)

Torres, J. M.; Sadurní, E.; Seligman, T. H.

2012-02-01

We present a simple exactly solvable extension of the Jaynes-Cummings model by adding dissipation. This is done such that the total number of excitations is conserved. The Liouville operator in the resulting master equation can be reduced to blocks of 4×4 matrices.

Theoretical kinetics of O + C 2H 4

DOE PAGES

Li, Xiaohu; Jasper, Ahren W.; Zádor, Judit; ...

2016-06-01

The reaction of atomic oxygen with ethylene is a fundamental oxidation step in combustion and is prototypical of reactions in which oxygen adds to double bonds. For 3O+C 2H 4 and for this class of reactions generally, decomposition of the initial adduct via spin-allowed reaction channels on the triplet surface competes with intersystem crossing (ISC) and a set of spin-forbidden reaction channels on the ground-state singlet surface. The two surfaces share some bimolecular products but feature different intermediates, pathways, and transition states. In addition, the overall product branching is therefore a sensitive function of the ISC rate. The 3O+C 2Hmore » 4 reaction has been extensively studied, but previous experimental work has not provided detailed branching information at elevated temperatures, while previous theoretical studies have employed empirical treatments of ISC. Here we predict the kinetics of 3O+C 2H 4 using an ab initio transition state theory based master equation (AITSTME) approach that includes an a priori description of ISC. Specifically, the ISC rate is calculated using Landau–Zener statistical theory, consideration of the four lowest-energy electronic states, and a direct classical trajectory study of the product branching immediately after ISC. The present theoretical results are largely in good agreement with existing low-temperature experimental kinetics and molecular beam studies. Good agreement is also found with past theoretical work, with the notable exception of the predicted product branching at elevated temperatures. Above ~1000 K, we predict CH 2CHO+H and CH 2+CH 2O as the major products, which differs from the room temperature preference for CH 3+HCO (which is assumed to remain at higher temperatures in some models) and from the prediction of a previous detailed master equation study.« less

Stochastic thermodynamics, fluctuation theorems and molecular machines.

PubMed

Seifert, Udo

2012-12-01

Stochastic thermodynamics as reviewed here systematically provides a framework for extending the notions of classical thermodynamics such as work, heat and entropy production to the level of individual trajectories of well-defined non-equilibrium ensembles. It applies whenever a non-equilibrium process is still coupled to one (or several) heat bath(s) of constant temperature. Paradigmatic systems are single colloidal particles in time-dependent laser traps, polymers in external flow, enzymes and molecular motors in single molecule assays, small biochemical networks and thermoelectric devices involving single electron transport. For such systems, a first-law like energy balance can be identified along fluctuating trajectories. For a basic Markovian dynamics implemented either on the continuum level with Langevin equations or on a discrete set of states as a master equation, thermodynamic consistency imposes a local-detailed balance constraint on noise and rates, respectively. Various integral and detailed fluctuation theorems, which are derived here in a unifying approach from one master theorem, constrain the probability distributions for work, heat and entropy production depending on the nature of the system and the choice of non-equilibrium conditions. For non-equilibrium steady states, particularly strong results hold like a generalized fluctuation-dissipation theorem involving entropy production. Ramifications and applications of these concepts include optimal driving between specified states in finite time, the role of measurement-based feedback processes and the relation between dissipation and irreversibility. Efficiency and, in particular, efficiency at maximum power can be discussed systematically beyond the linear response regime for two classes of molecular machines, isothermal ones such as molecular motors, and heat engines such as thermoelectric devices, using a common framework based on a cycle decomposition of entropy production.

Perturbation expansions of stochastic wavefunctions for open quantum systems

NASA Astrophysics Data System (ADS)

Ke, Yaling; Zhao, Yi

2017-11-01

Based on the stochastic unravelling of the reduced density operator in the Feynman path integral formalism for an open quantum system in touch with harmonic environments, a new non-Markovian stochastic Schrödinger equation (NMSSE) has been established that allows for the systematic perturbation expansion in the system-bath coupling to arbitrary order. This NMSSE can be transformed in a facile manner into the other two NMSSEs, i.e., non-Markovian quantum state diffusion and time-dependent wavepacket diffusion method. Benchmarked by numerically exact results, we have conducted a comparative study of the proposed method in its lowest order approximation, with perturbative quantum master equations in the symmetric spin-boson model and the realistic Fenna-Matthews-Olson complex. It is found that our method outperforms the second-order time-convolutionless quantum master equation in the whole parameter regime and even far better than the fourth-order in the slow bath and high temperature cases. Besides, the method is applicable on an equal footing for any kind of spectral density function and is expected to be a powerful tool to explore the quantum dynamics of large-scale systems, benefiting from the wavefunction framework and the time-local appearance within a single stochastic trajectory.

Estimating the Accuracy of the Chedoke-McMaster Stroke Assessment Predictive Equations for Stroke Rehabilitation.

PubMed

Dang, Mia; Ramsaran, Kalinda D; Street, Melissa E; Syed, S Noreen; Barclay-Goddard, Ruth; Stratford, Paul W; Miller, Patricia A

2011-01-01

To estimate the predictive accuracy and clinical usefulness of the Chedoke-McMaster Stroke Assessment (CMSA) predictive equations. A longitudinal prognostic study using historical data obtained from 104 patients admitted post cerebrovascular accident was undertaken. Data were abstracted for all patients undergoing rehabilitation post stroke who also had documented admission and discharge CMSA scores. Published predictive equations were used to determine predicted outcomes. To determine the accuracy and clinical usefulness of the predictive model, shrinkage coefficients and predictions with 95% confidence bands were calculated. Complete data were available for 74 patients with a mean age of 65.3±12.4 years. The shrinkage values for the six Impairment Inventory (II) dimensions varied from -0.05 to 0.09; the shrinkage value for the Activity Inventory (AI) was 0.21. The error associated with predictive values was greater than ±1.5 stages for the II dimensions and greater than ±24 points for the AI. This study shows that the large error associated with the predictions (as defined by the confidence band) for the CMSA II and AI limits their clinical usefulness as a predictive measure. Further research to establish predictive models using alternative statistical procedures is warranted.

Stochastic modification of the Schrödinger-Newton equation

NASA Astrophysics Data System (ADS)

Bera, Sayantani; Mohan, Ravi; Singh, Tejinder P.

2015-07-01

The Schrödinger-Newton (SN) equation describes the effect of self-gravity on the evolution of a quantum system, and it has been proposed that gravitationally induced decoherence drives the system to one of the stationary solutions of the SN equation. However, the equation itself lacks a decoherence mechanism, because it does not possess any stochastic feature. In the present work we derive a stochastic modification of the Schrödinger-Newton equation, starting from the Einstein-Langevin equation in the theory of stochastic semiclassical gravity. We specialize this equation to the case of a single massive point particle, and by using Karolyhazy's phase variance method, we derive the Diósi-Penrose criterion for the decoherence time. We obtain a (nonlinear) master equation corresponding to this stochastic SN equation. This equation is, however, linear at the level of the approximation we use to prove decoherence; hence, the no-signaling requirement is met. Lastly, we use physical arguments to obtain expressions for the decoherence length of extended objects.

Anthropometric, physical function and general health markers of Masters athletes: a cross-sectional study

PubMed Central

Climstein, Mike; Quilter, Clodagh; Buckley, Georgina; Henwood, Timothy; Grigg, Josie; Keogh, Justin W.L.

2017-01-01

Once the general decline in muscle mass, muscle strength and physical performance falls below specific thresholds, the middle aged or older adult will be diagnosed as having sarcopenia (a loss of skeletal muscle mass and strength). Sarcopenia contributes to a range of adverse events in older age including disability, hospitalisation, institutionalisation and falls. One potentially relevant but understudied population for sarcopenia researchers would be Masters athletes. Masters sport is becoming more common as it allows athletes (typically 40 years and older) the opportunity to participate in individual and/or team sports against individuals of similar age. This study examined a variety of measures of anthropometric, physical function and general health markers in the male and female Masters athletes who competed at the 2014 Pan Pacific Masters Games held on the Gold Coast, Australia. Bioelectrical impedance analysis was used to collect body fat percentage, fat mass and fat-free mass; with body mass, height, body mass index (BMI) and sarcopenic status also recorded. Physical function was quantified by handgrip strength and habitual walking speed; with general health described by the number of chronic diseases and prescribed medications. Between group analyses utilised ANOVA and Tukey’s post-hoc tests to examine the effect of age group (40–49, 50–59, 60–69 and >70 years old) on the outcome measures for the entire sample as well as the male and female sub-groups. A total of 156 athletes (78 male, 78 female; mean 55.7 years) provided informed consent to participate in this study. These athletes possessed substantially better anthropometric, physical function and general health characteristics than the literature for their less physically active age-matched peers. No Masters athletes were categorised as being sarcopenic, although one participant had below normal physical performance and six participants had below normal muscle strength. In contrast, significant age-related reductions in handgrip strength and increases in the number of chronic diseases and prescribed medications were observed for the overall cohort as well as the male and female sub-groups. Nevertheless, even those aged over 70 years only averaged one chronic disease and one prescribed medication. These results may suggest that participation in Masters sport helps to maintain anthropometry, physical function and general health in middle-aged and older adults. However, it is also possible that only healthier middle-aged and older adults with favourable body composition and physical function may be able to participate in Masters sport. Future research should therefore utilise longitudinal research designs to determine the health and functional benefits of Master sports participation for middle-aged and older adults. PMID:28894644

Synchronization in networks with heterogeneous coupling delays

NASA Astrophysics Data System (ADS)

Otto, Andreas; Radons, Günter; Bachrathy, Dániel; Orosz, Gábor

2018-01-01

Synchronization in networks of identical oscillators with heterogeneous coupling delays is studied. A decomposition of the network dynamics is obtained by block diagonalizing a newly introduced adjacency lag operator which contains the topology of the network as well as the corresponding coupling delays. This generalizes the master stability function approach, which was developed for homogenous delays. As a result the network dynamics can be analyzed by delay differential equations with distributed delay, where different delay distributions emerge for different network modes. Frequency domain methods are used for the stability analysis of synchronized equilibria and synchronized periodic orbits. As an example, the synchronization behavior in a system of delay-coupled Hodgkin-Huxley neurons is investigated. It is shown that the parameter regions where synchronized periodic spiking is unstable expand when increasing the delay heterogeneity.

Interconversion of mechanical and dielectrical relaxation measurements for dicyclohexylmethyl-2-methyl succinate.

PubMed

Díaz-Calleja, R; Garcia-Bernabé, A; Sanchis, M J; del Castillo, L F

2005-11-01

A comparison between results of dielectrical relaxation and dynamic mechanical spectroscopies is carried out for the alpha-relaxation of the ester dicyclohexyl methyl-2-methyl succinate (DCMMS). The results for the dielectric permittivity and the shear modulus measurements are presented according to the empirical Havriliak-Negami (HN) equation. By using the time-temperature principle a master curve in each case was obtained for several temperatures. The comparative analysis presented here is based on the assumption of a relationship between rotational and shear viscosities. The former one is associated to the dielectrical relaxation, whereas the latter is associated to mechanical relaxation. Both viscosities are not necessarily equal in general, and we assume that the difference between them is an important factor to appropriately compare the dielectrical and mechanical results.

Endoreversible quantum heat engines in the linear response regime.

PubMed

Wang, Honghui; He, Jizhou; Wang, Jianhui

2017-07-01

We analyze general models of quantum heat engines operating a cycle of two adiabatic and two isothermal processes. We use the quantum master equation for a system to describe heat transfer current during a thermodynamic process in contact with a heat reservoir, with no use of phenomenological thermal conduction. We apply the endoreversibility description to such engine models working in the linear response regime and derive expressions of the efficiency and the power. By analyzing the entropy production rate along a single cycle, we identify the thermodynamic flux and force that a linear relation connects. From maximizing the power output, we find that such heat engines satisfy the tight-coupling condition and the efficiency at maximum power agrees with the Curzon-Ahlborn efficiency known as the upper bound in the linear response regime.

BFV quantization on hermitian symmetric spaces

NASA Astrophysics Data System (ADS)

Fradkin, E. S.; Linetsky, V. Ya.

1995-02-01

Gauge-invariant BFV approach to geometric quantization is applied to the case of hermitian symmetric spaces G/ H. In particular, gauge invariant quantization on the Lobachevski plane and sphere is carried out. Due to the presence of symmetry, master equations for the first-class constraints, quantum observables and physical quantum states are exactly solvable. BFV-BRST operator defines a flat G-connection in the Fock bundle over G/ H. Physical quantum states are covariantly constant sections with respect to this connection and are shown to coincide with the generalized coherent states for the group G. Vacuum expectation values of the quantum observables commuting with the quantum first-class constraints reduce to the covariant symbols of Berezin. The gauge-invariant approach to quantization on symplectic manifolds synthesizes geometric, deformation and Berezin quantization approaches.

Imitation versus payoff: Duality of the decision-making process demonstrates criticality and consensus formation

NASA Astrophysics Data System (ADS)

Turalska, M.; West, B. J.

2014-11-01

We consider a dual model of decision making, in which an individual forms its opinion based on contrasting mechanisms of imitation and rational calculation. The decision-making model (DMM) implements imitating behavior by means of a network of coupled two-state master equations that undergoes a phase transition at a critical value of a control parameter. The evolutionary spatial game, being a generalization of the prisoner's dilemma game, is used to determine in objective fashion the cooperative or anticooperative strategy adopted by individuals. Interactions between two sources of dynamics increases the domain of initial states attracted to phase transition dynamics beyond that of the DMM network in isolation. Additionally, on average the influence of the DMM on the game increases the final observed fraction of cooperators in the system.

Effects of noise and confidence thresholds in nominal and metric Axelrod dynamics of social influence

NASA Astrophysics Data System (ADS)

de Sanctis, Luca; Galla, Tobias

2009-04-01

We study the effects of bounded confidence thresholds and of interaction and external noise on Axelrod’s model of social influence. Our study is based on a combination of numerical simulations and an integration of the mean-field master equation describing the system in the thermodynamic limit. We find that interaction thresholds affect the system only quantitatively, but that they do not alter the basic phase structure. The known crossover between an ordered and a disordered state in finite systems subject to external noise persists in models with general confidence threshold. Interaction noise here facilitates the dynamics and reduces relaxation times. We also study Axelrod systems with metric features and point out similarities and differences compared to models with nominal features.

Simultaneous continuous measurement of non-commuting observables and correlation in qubit trajectories

NASA Astrophysics Data System (ADS)

Chantasri, Areeya; Jordan, Andrew

We consider the continuous quantum measurement of two or more non-commuting observables of a single qubit. Examples are presented for the measurement of two observables which can be mapped to two measurement axes on the Bloch sphere; a special case being the measurement along the X and Z bases. The qubit dynamics is described by the stochastic master equations which include the effect of decoherence and measurement inefficiencies. We investigate the qubit trajectories, their most likely paths, and their correlation functions using the stochastic path integral formalism. The correlation functions in qubit trajectories can be derived exactly for a special case and perturbatively for general cases. The theoretical predictions are compared with numerical simulations, as well as with trajectory data from the transmon superconducting qubit experiments.

Protected Quantum Computation with Multiple Resonators in Ultrastrong Coupling Circuit QED

NASA Astrophysics Data System (ADS)

Nataf, Pierre; Ciuti, Cristiano

2011-11-01

We investigate theoretically the dynamical behavior of a qubit obtained with the two ground eigenstates of an ultrastrong coupling circuit-QED system consisting of a finite number of Josephson fluxonium atoms inductively coupled to a transmission line resonator. We show a universal set of quantum gates by using multiple transmission line resonators (each resonator represents a single qubit). We discuss the intrinsic “anisotropic” nature of noise sources for fluxonium artificial atoms. Through a master equation treatment with colored noise and many-level dynamics, we prove that, for a general class of anisotropic noise sources, the coherence time of the qubit and the fidelity of the quantum operations can be dramatically improved in an optimal regime of ultrastrong coupling, where the ground state is an entangled photonic “cat” state.

Evolution of quantum-like modeling in decision making processes

NASA Astrophysics Data System (ADS)

Khrennikova, Polina

2012-12-01

The application of the mathematical formalism of quantum mechanics to model behavioral patterns in social science and economics is a novel and constantly emerging field. The aim of the so called 'quantum like' models is to model the decision making processes in a macroscopic setting, capturing the particular 'context' in which the decisions are taken. Several subsequent empirical findings proved that when making a decision people tend to violate the axioms of expected utility theory and Savage's Sure Thing principle, thus violating the law of total probability. A quantum probability formula was devised to describe more accurately the decision making processes. A next step in the development of QL-modeling in decision making was the application of Schrödinger equation to describe the evolution of people's mental states. A shortcoming of Schrödinger equation is its inability to capture dynamics of an open system; the brain of the decision maker can be regarded as such, actively interacting with the external environment. Recently the master equation, by which quantum physics describes the process of decoherence as the result of interaction of the mental state with the environmental 'bath', was introduced for modeling the human decision making. The external environment and memory can be referred to as a complex 'context' influencing the final decision outcomes. The master equation can be considered as a pioneering and promising apparatus for modeling the dynamics of decision making in different contexts.

Sleeping porch through french doors off master bedroom (southern unit) ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

Sleeping porch through french doors off master bedroom (southern unit) - Fitzsimons General Hospital, Officers' Quarters, West Charlie Kelly Boulevard & South Hutton Street, Southwest Corner, Aurora, Adams County, CO

Dissipation and decoherence in nanodevices: a generalized Fermi's golden rule

NASA Astrophysics Data System (ADS)

Taj, D.; Iotti, R. C.; Rossi, F.

2009-06-01

We shall revisit the conventional adiabatic or Markov approximation, which—in contrast to the semiclassical case—does not preserve the positive-definite character of the corresponding density matrix, thus leading to highly non-physical results. To overcome this serious limitation, originally pointed out and partially solved by Davies and co-workers almost three decades ago, we shall propose an alternative more general adiabatic procedure, which (i) is physically justified under the same validity restrictions of the conventional Markov approach, (ii) in the semiclassical limit reduces to the standard Fermi's golden rule and (iii) describes a genuine Lindblad evolution, thus providing a reliable/robust treatment of energy-dissipation and dephasing processes in electronic quantum devices. Unlike standard master-equation formulations, the dependence of our approximation on the specific choice of the subsystem (that includes the common partial trace reduction) does not threaten positivity, and quantum scattering rates are well defined even in the case the subsystem is infinitely extended/has a continuous spectrum.

An equation-free probabilistic steady-state approximation: dynamic application to the stochastic simulation of biochemical reaction networks.

PubMed

Salis, Howard; Kaznessis, Yiannis N

2005-12-01

Stochastic chemical kinetics more accurately describes the dynamics of "small" chemical systems, such as biological cells. Many real systems contain dynamical stiffness, which causes the exact stochastic simulation algorithm or other kinetic Monte Carlo methods to spend the majority of their time executing frequently occurring reaction events. Previous methods have successfully applied a type of probabilistic steady-state approximation by deriving an evolution equation, such as the chemical master equation, for the relaxed fast dynamics and using the solution of that equation to determine the slow dynamics. However, because the solution of the chemical master equation is limited to small, carefully selected, or linear reaction networks, an alternate equation-free method would be highly useful. We present a probabilistic steady-state approximation that separates the time scales of an arbitrary reaction network, detects the convergence of a marginal distribution to a quasi-steady-state, directly samples the underlying distribution, and uses those samples to accurately predict the state of the system, including the effects of the slow dynamics, at future times. The numerical method produces an accurate solution of both the fast and slow reaction dynamics while, for stiff systems, reducing the computational time by orders of magnitude. The developed theory makes no approximations on the shape or form of the underlying steady-state distribution and only assumes that it is ergodic. We demonstrate the accuracy and efficiency of the method using multiple interesting examples, including a highly nonlinear protein-protein interaction network. The developed theory may be applied to any type of kinetic Monte Carlo simulation to more efficiently simulate dynamically stiff systems, including existing exact, approximate, or hybrid stochastic simulation techniques.

Modeling stochastic noise in gene regulatory systems

PubMed Central

Meister, Arwen; Du, Chao; Li, Ye Henry; Wong, Wing Hung

2014-01-01

The Master equation is considered the gold standard for modeling the stochastic mechanisms of gene regulation in molecular detail, but it is too complex to solve exactly in most cases, so approximation and simulation methods are essential. However, there is still a lack of consensus about the best way to carry these out. To help clarify the situation, we review Master equation models of gene regulation, theoretical approximations based on an expansion method due to N.G. van Kampen and R. Kubo, and simulation algorithms due to D.T. Gillespie and P. Langevin. Expansion of the Master equation shows that for systems with a single stable steady-state, the stochastic model reduces to a deterministic model in a first-order approximation. Additional theory, also due to van Kampen, describes the asymptotic behavior of multistable systems. To support and illustrate the theory and provide further insight into the complex behavior of multistable systems, we perform a detailed simulation study comparing the various approximation and simulation methods applied to synthetic gene regulatory systems with various qualitative characteristics. The simulation studies show that for large stochastic systems with a single steady-state, deterministic models are quite accurate, since the probability distribution of the solution has a single peak tracking the deterministic trajectory whose variance is inversely proportional to the system size. In multistable stochastic systems, large fluctuations can cause individual trajectories to escape from the domain of attraction of one steady-state and be attracted to another, so the system eventually reaches a multimodal probability distribution in which all stable steady-states are represented proportional to their relative stability. However, since the escape time scales exponentially with system size, this process can take a very long time in large systems. PMID:25632368

Nascent energy distribution of the Criegee intermediate CH2OO from direct dynamics calculations of primary ozonide dissociation.

PubMed

Pfeifle, Mark; Ma, Yong-Tao; Jasper, Ahren W; Harding, Lawrence B; Hase, William L; Klippenstein, Stephen J

2018-05-07

Ozonolysis produces chemically activated carbonyl oxides (Criegee intermediates, CIs) that are either stabilized or decompose directly. This branching has an important impact on atmospheric chemistry. Prior theoretical studies have employed statistical models for energy partitioning to the CI arising from dissociation of the initially formed primary ozonide (POZ). Here, we used direct dynamics simulations to explore this partitioning for decomposition of c-C 2 H 4 O 3 , the POZ in ethylene ozonolysis. A priori estimates for the overall stabilization probability were then obtained by coupling the direct dynamics results with master equation simulations. Trajectories were initiated at the concerted cycloreversion transition state, as well as the second transition state of a stepwise dissociation pathway, both leading to a CI (H 2 COO) and formaldehyde (H 2 CO). The resulting CI energy distributions were incorporated in master equation simulations of CI decomposition to obtain channel-specific stabilized CI (sCI) yields. Master equation simulations of POZ formation and decomposition, based on new high-level electronic structure calculations, were used to predict yields for the different POZ decomposition channels. A non-negligible contribution of stepwise POZ dissociation was found, and new mechanistic aspects of this pathway were elucidated. By combining the trajectory-based channel-specific sCI yields with the channel branching fractions, an overall sCI yield of (48 ± 5)% was obtained. Non-statistical energy release was shown to measurably affect sCI formation, with statistical models predicting significantly lower overall sCI yields (∼30%). Within the range of experimental literature values (35%-54%), our trajectory-based calculations favor those clustered at the upper end of the spectrum.

Nascent energy distribution of the Criegee intermediate CH2OO from direct dynamics calculations of primary ozonide dissociation

NASA Astrophysics Data System (ADS)

Pfeifle, Mark; Ma, Yong-Tao; Jasper, Ahren W.; Harding, Lawrence B.; Hase, William L.; Klippenstein, Stephen J.

2018-05-01

Ozonolysis produces chemically activated carbonyl oxides (Criegee intermediates, CIs) that are either stabilized or decompose directly. This branching has an important impact on atmospheric chemistry. Prior theoretical studies have employed statistical models for energy partitioning to the CI arising from dissociation of the initially formed primary ozonide (POZ). Here, we used direct dynamics simulations to explore this partitioning for decomposition of c-C2H4O3, the POZ in ethylene ozonolysis. A priori estimates for the overall stabilization probability were then obtained by coupling the direct dynamics results with master equation simulations. Trajectories were initiated at the concerted cycloreversion transition state, as well as the second transition state of a stepwise dissociation pathway, both leading to a CI (H2COO) and formaldehyde (H2CO). The resulting CI energy distributions were incorporated in master equation simulations of CI decomposition to obtain channel-specific stabilized CI (sCI) yields. Master equation simulations of POZ formation and decomposition, based on new high-level electronic structure calculations, were used to predict yields for the different POZ decomposition channels. A non-negligible contribution of stepwise POZ dissociation was found, and new mechanistic aspects of this pathway were elucidated. By combining the trajectory-based channel-specific sCI yields with the channel branching fractions, an overall sCI yield of (48 ± 5)% was obtained. Non-statistical energy release was shown to measurably affect sCI formation, with statistical models predicting significantly lower overall sCI yields (˜30%). Within the range of experimental literature values (35%-54%), our trajectory-based calculations favor those clustered at the upper end of the spectrum.

Time-dependent quantum transport: An efficient method based on Liouville-von-Neumann equation for single-electron density matrix

NASA Astrophysics Data System (ADS)

Xie, Hang; Jiang, Feng; Tian, Heng; Zheng, Xiao; Kwok, Yanho; Chen, Shuguang; Yam, ChiYung; Yan, YiJing; Chen, Guanhua

2012-07-01

Basing on our hierarchical equations of motion for time-dependent quantum transport [X. Zheng, G. H. Chen, Y. Mo, S. K. Koo, H. Tian, C. Y. Yam, and Y. J. Yan, J. Chem. Phys. 133, 114101 (2010), 10.1063/1.3475566], we develop an efficient and accurate numerical algorithm to solve the Liouville-von-Neumann equation. We solve the real-time evolution of the reduced single-electron density matrix at the tight-binding level. Calculations are carried out to simulate the transient current through a linear chain of atoms, with each represented by a single orbital. The self-energy matrix is expanded in terms of multiple Lorentzian functions, and the Fermi distribution function is evaluated via the Padè spectrum decomposition. This Lorentzian-Padè decomposition scheme is employed to simulate the transient current. With sufficient Lorentzian functions used to fit the self-energy matrices, we show that the lead spectral function and the dynamics response can be treated accurately. Compared to the conventional master equation approaches, our method is much more efficient as the computational time scales cubically with the system size and linearly with the simulation time. As a result, the simulations of the transient currents through systems containing up to one hundred of atoms have been carried out. As density functional theory is also an effective one-particle theory, the Lorentzian-Padè decomposition scheme developed here can be generalized for first-principles simulation of realistic systems.

Investigation of the Numerical Methods of Finite Differences and Weighted Residuals for Solution of the Heat Equation.

DTIC Science & Technology

1982-03-01

OF FINITE DIFFERENCES AND WEIGHTED RESIDUALS FOR SOLUTION OF THE HEAT EQUATION a THESIS J’. AFIT/GNE/PH/81-7 *-.1 Robert Naegeli .. ....... J --aC t...Institute of Technology Air University in Partial Fulfillment of the a Requirements for the Degree of Master of Science by Robert E. Naegeli , M.S. Capt USAF...a time which proved to be one of great personal adjustment and turmoil. Robert E. Naegeli ii Contents Page Preface

A master equation approach to actin polymerization applied to endocytosis in yeast.

PubMed

Wang, Xinxin; Carlsson, Anders E

2017-12-01

We present a Master Equation approach to calculating polymerization dynamics and force generation by branched actin networks at membranes. The method treats the time evolution of the F-actin distribution in three dimensions, with branching included as a directional spreading term. It is validated by comparison with stochastic simulations of force generation by actin polymerization at obstacles coated with actin "nucleation promoting factors" (NPFs). The method is then used to treat the dynamics of actin polymerization and force generation during endocytosis in yeast, using a model in which NPFs form a ring around the endocytic site, centered by a spot of molecules attaching the actin network strongly to the membrane. We find that a spontaneous actin filament nucleation mechanism is required for adequate forces to drive the process, that partial inhibition of branching and polymerization lead to different characteristic responses, and that a limited range of polymerization-rate values provide effective invagination and obtain correct predictions for the effects of mutations in the active regions of the NPFs.

Nonequilibrium Kondo effect in a magnetic field: auxiliary master equation approach

NASA Astrophysics Data System (ADS)

Fugger, Delia M.; Dorda, Antonius; Schwarz, Frauke; von Delft, Jan; Arrigoni, Enrico

2018-01-01

We study the single-impurity Anderson model out of equilibrium under the influence of a bias voltage ϕ and a magnetic field B. We investigate the interplay between the shift ({ω }B) of the Kondo peak in the spin-resolved density of states (DOS) and the one ({φ }B) of the conductance anomaly. In agreement with experiments and previous theoretical calculations we find that, while the latter displays a rather linear behavior with an almost constant slope as a function of B down to the Kondo scale, the DOS shift first features a slower increase reaching the same behavior as {φ }B only for | g| {μ }BB\\gg {k}B{T}K. Our auxiliary master equation approach yields highly accurate nonequilibrium results for the DOS and for the conductance all the way from within the Kondo up to the charge fluctuation regime, showing excellent agreement with a recently introduced scheme based on a combination of numerical renormalization group with time-dependent density matrix renormalization group.

Finite state projection based bounds to compare chemical master equation models using single-cell data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fox, Zachary; Neuert, Gregor; Department of Pharmacology, School of Medicine, Vanderbilt University, Nashville, Tennessee 37232

2016-08-21

Emerging techniques now allow for precise quantification of distributions of biological molecules in single cells. These rapidly advancing experimental methods have created a need for more rigorous and efficient modeling tools. Here, we derive new bounds on the likelihood that observations of single-cell, single-molecule responses come from a discrete stochastic model, posed in the form of the chemical master equation. These strict upper and lower bounds are based on a finite state projection approach, and they converge monotonically to the exact likelihood value. These bounds allow one to discriminate rigorously between models and with a minimum level of computational effort.more » In practice, these bounds can be incorporated into stochastic model identification and parameter inference routines, which improve the accuracy and efficiency of endeavors to analyze and predict single-cell behavior. We demonstrate the applicability of our approach using simulated data for three example models as well as for experimental measurements of a time-varying stochastic transcriptional response in yeast.« less

Symmetric and antisymmetric forms of the Pauli master equation.

PubMed

Klimenko, A Y

2016-07-21

When applied to matter and antimatter states, the Pauli master equation (PME) may have two forms: time-symmetric, which is conventional, and time-antisymmetric, which is suggested in the present work. The symmetric and antisymmetric forms correspond to symmetric and antisymmetric extensions of thermodynamics from matter to antimatter - this is demonstrated by proving the corresponding H-theorem. The two forms are based on the thermodynamic similarity of matter and antimatter and differ only in the directions of thermodynamic time for matter and antimatter (the same in the time-symmetric case and the opposite in the time-antisymmetric case). We demonstrate that, while the symmetric form of PME predicts an equibalance between matter and antimatter, the antisymmetric form of PME favours full conversion of antimatter into matter. At this stage, it is impossible to make an experimentally justified choice in favour of the symmetric or antisymmetric versions of thermodynamics since we have no experience of thermodynamic properties of macroscopic objects made of antimatter, but experiments of this kind may become possible in the future.

An adaptive tau-leaping method for stochastic simulations of reaction-diffusion systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Padgett, Jill M. A.; Ilie, Silvana, E-mail: silvana@ryerson.ca

2016-03-15

Stochastic modelling is critical for studying many biochemical processes in a cell, in particular when some reacting species have low population numbers. For many such cellular processes the spatial distribution of the molecular species plays a key role. The evolution of spatially heterogeneous biochemical systems with some species in low amounts is accurately described by the mesoscopic model of the Reaction-Diffusion Master Equation. The Inhomogeneous Stochastic Simulation Algorithm provides an exact strategy to numerically solve this model, but it is computationally very expensive on realistic applications. We propose a novel adaptive time-stepping scheme for the tau-leaping method for approximating themore » solution of the Reaction-Diffusion Master Equation. This technique combines effective strategies for variable time-stepping with path preservation to reduce the computational cost, while maintaining the desired accuracy. The numerical tests on various examples arising in applications show the improved efficiency achieved by the new adaptive method.« less

A master equation approach to actin polymerization applied to endocytosis in yeast

PubMed Central

Wang, Xinxin

2017-01-01

We present a Master Equation approach to calculating polymerization dynamics and force generation by branched actin networks at membranes. The method treats the time evolution of the F-actin distribution in three dimensions, with branching included as a directional spreading term. It is validated by comparison with stochastic simulations of force generation by actin polymerization at obstacles coated with actin “nucleation promoting factors” (NPFs). The method is then used to treat the dynamics of actin polymerization and force generation during endocytosis in yeast, using a model in which NPFs form a ring around the endocytic site, centered by a spot of molecules attaching the actin network strongly to the membrane. We find that a spontaneous actin filament nucleation mechanism is required for adequate forces to drive the process, that partial inhibition of branching and polymerization lead to different characteristic responses, and that a limited range of polymerization-rate values provide effective invagination and obtain correct predictions for the effects of mutations in the active regions of the NPFs. PMID:29240771

Sudden spreading of infections in an epidemic model with a finite seed fraction

NASA Astrophysics Data System (ADS)

Hasegawa, Takehisa; Nemoto, Koji

2018-03-01

We study a simple case of the susceptible-weakened-infected-removed model in regular random graphs in a situation where an epidemic starts from a finite fraction of initially infected nodes (seeds). Previous studies have shown that, assuming a single seed, this model exhibits a kind of discontinuous transition at a certain value of infection rate. Performing Monte Carlo simulations and evaluating approximate master equations, we find that the present model has two critical infection rates for the case with a finite seed fraction. At the first critical rate the system shows a percolation transition of clusters composed of removed nodes, and at the second critical rate, which is larger than the first one, a giant cluster suddenly grows and the order parameter jumps even though it has been already rising. Numerical evaluation of the master equations shows that such sudden epidemic spreading does occur if the degree of the underlying network is large and the seed fraction is small.

Adaptively biased sequential importance sampling for rare events in reaction networks with comparison to exact solutions from finite buffer dCME method

PubMed Central

Cao, Youfang; Liang, Jie

2013-01-01

Critical events that occur rarely in biological processes are of great importance, but are challenging to study using Monte Carlo simulation. By introducing biases to reaction selection and reaction rates, weighted stochastic simulation algorithms based on importance sampling allow rare events to be sampled more effectively. However, existing methods do not address the important issue of barrier crossing, which often arises from multistable networks and systems with complex probability landscape. In addition, the proliferation of parameters and the associated computing cost pose significant problems. Here we introduce a general theoretical framework for obtaining optimized biases in sampling individual reactions for estimating probabilities of rare events. We further describe a practical algorithm called adaptively biased sequential importance sampling (ABSIS) method for efficient probability estimation. By adopting a look-ahead strategy and by enumerating short paths from the current state, we estimate the reaction-specific and state-specific forward and backward moving probabilities of the system, which are then used to bias reaction selections. The ABSIS algorithm can automatically detect barrier-crossing regions, and can adjust bias adaptively at different steps of the sampling process, with bias determined by the outcome of exhaustively generated short paths. In addition, there are only two bias parameters to be determined, regardless of the number of the reactions and the complexity of the network. We have applied the ABSIS method to four biochemical networks: the birth-death process, the reversible isomerization, the bistable Schlögl model, and the enzymatic futile cycle model. For comparison, we have also applied the finite buffer discrete chemical master equation (dCME) method recently developed to obtain exact numerical solutions of the underlying discrete chemical master equations of these problems. This allows us to assess sampling results objectively by comparing simulation results with true answers. Overall, ABSIS can accurately and efficiently estimate rare event probabilities for all examples, often with smaller variance than other importance sampling algorithms. The ABSIS method is general and can be applied to study rare events of other stochastic networks with complex probability landscape. PMID:23862966

Adaptively biased sequential importance sampling for rare events in reaction networks with comparison to exact solutions from finite buffer dCME method

NASA Astrophysics Data System (ADS)

Cao, Youfang; Liang, Jie

2013-07-01

Critical events that occur rarely in biological processes are of great importance, but are challenging to study using Monte Carlo simulation. By introducing biases to reaction selection and reaction rates, weighted stochastic simulation algorithms based on importance sampling allow rare events to be sampled more effectively. However, existing methods do not address the important issue of barrier crossing, which often arises from multistable networks and systems with complex probability landscape. In addition, the proliferation of parameters and the associated computing cost pose significant problems. Here we introduce a general theoretical framework for obtaining optimized biases in sampling individual reactions for estimating probabilities of rare events. We further describe a practical algorithm called adaptively biased sequential importance sampling (ABSIS) method for efficient probability estimation. By adopting a look-ahead strategy and by enumerating short paths from the current state, we estimate the reaction-specific and state-specific forward and backward moving probabilities of the system, which are then used to bias reaction selections. The ABSIS algorithm can automatically detect barrier-crossing regions, and can adjust bias adaptively at different steps of the sampling process, with bias determined by the outcome of exhaustively generated short paths. In addition, there are only two bias parameters to be determined, regardless of the number of the reactions and the complexity of the network. We have applied the ABSIS method to four biochemical networks: the birth-death process, the reversible isomerization, the bistable Schlögl model, and the enzymatic futile cycle model. For comparison, we have also applied the finite buffer discrete chemical master equation (dCME) method recently developed to obtain exact numerical solutions of the underlying discrete chemical master equations of these problems. This allows us to assess sampling results objectively by comparing simulation results with true answers. Overall, ABSIS can accurately and efficiently estimate rare event probabilities for all examples, often with smaller variance than other importance sampling algorithms. The ABSIS method is general and can be applied to study rare events of other stochastic networks with complex probability landscape.

Adaptively biased sequential importance sampling for rare events in reaction networks with comparison to exact solutions from finite buffer dCME method.

PubMed

Cao, Youfang; Liang, Jie

2013-07-14

Critical events that occur rarely in biological processes are of great importance, but are challenging to study using Monte Carlo simulation. By introducing biases to reaction selection and reaction rates, weighted stochastic simulation algorithms based on importance sampling allow rare events to be sampled more effectively. However, existing methods do not address the important issue of barrier crossing, which often arises from multistable networks and systems with complex probability landscape. In addition, the proliferation of parameters and the associated computing cost pose significant problems. Here we introduce a general theoretical framework for obtaining optimized biases in sampling individual reactions for estimating probabilities of rare events. We further describe a practical algorithm called adaptively biased sequential importance sampling (ABSIS) method for efficient probability estimation. By adopting a look-ahead strategy and by enumerating short paths from the current state, we estimate the reaction-specific and state-specific forward and backward moving probabilities of the system, which are then used to bias reaction selections. The ABSIS algorithm can automatically detect barrier-crossing regions, and can adjust bias adaptively at different steps of the sampling process, with bias determined by the outcome of exhaustively generated short paths. In addition, there are only two bias parameters to be determined, regardless of the number of the reactions and the complexity of the network. We have applied the ABSIS method to four biochemical networks: the birth-death process, the reversible isomerization, the bistable Schlögl model, and the enzymatic futile cycle model. For comparison, we have also applied the finite buffer discrete chemical master equation (dCME) method recently developed to obtain exact numerical solutions of the underlying discrete chemical master equations of these problems. This allows us to assess sampling results objectively by comparing simulation results with true answers. Overall, ABSIS can accurately and efficiently estimate rare event probabilities for all examples, often with smaller variance than other importance sampling algorithms. The ABSIS method is general and can be applied to study rare events of other stochastic networks with complex probability landscape.

Fractional Stochastic Field Theory

NASA Astrophysics Data System (ADS)

Honkonen, Juha

2018-02-01

Models describing evolution of physical, chemical, biological, social and financial processes are often formulated as differential equations with the understanding that they are large-scale equations for averages of quantities describing intrinsically random processes. Explicit account of randomness may lead to significant changes in the asymptotic behaviour (anomalous scaling) in such models especially in low spatial dimensions, which in many cases may be captured with the use of the renormalization group. Anomalous scaling and memory effects may also be introduced with the use of fractional derivatives and fractional noise. Construction of renormalized stochastic field theory with fractional derivatives and fractional noise in the underlying stochastic differential equations and master equations and the interplay between fluctuation-induced and built-in anomalous scaling behaviour is reviewed and discussed.

Stochastic and Boltzmann-like models for behavioral changes, and their relation to game theory

NASA Astrophysics Data System (ADS)

Helbing, Dirk

1993-03-01

In the last decade, stochastic models have shown to be very useful for quantitative modelling of social processes. Here, a configurational master equation for the description of behavioral changes by pair interactions of individuals is developed. Three kinds of social pair interactions are distinguished: Avoidance processes, compromising processes, and imitative processes. Computational results are presented for a special case of imitative processes: the competition of two equivalent strategies. They show a phase transition that describes the self-organization of a behavioral convention. This phase transition is further analyzed by examining the equations for the most probable behavioral distribution, which are Boltzmann-like equations. Special cases of Boltzmann-like equations do not obey the H-theorem and have oscillatory or even chaotic solutions. A suitable Taylor approximation leads to the so-called game dynamical equations (also known as selection-mutation equations in the theory of evolution).

Differences between Mothers' and Fathers' Ratings of Family Functioning with the Family Assessment Device: The Validity of Combined Parent Scores

ERIC Educational Resources Information Center

Cooke, Dawson; Marais, Ida; Cavanagh, Robert; Kendall, Garth; Priddis, Lynn

2015-01-01

The psychometric properties of the General Functioning subscale of the McMaster Family Assessment Device were examined using the Rasch Model (N = 237 couples). Mothers' and fathers' ratings of the General Functioning subscale of the McMaster Family Assessment Device are recommended, provided these are analyzed separately. More than a quarter of…

On the BV formalism of open superstring field theory in the large Hilbert space

NASA Astrophysics Data System (ADS)

Matsunaga, Hiroaki; Nomura, Mitsuru

2018-05-01

We construct several BV master actions for open superstring field theory in the large Hilbert space. First, we show that a naive use of the conventional BV approach breaks down at the third order of the antifield number expansion, although it enables us to define a simple "string antibracket" taking the Darboux form as spacetime antibrackets. This fact implies that in the large Hilbert space, "string fields-antifields" should be reassembled to obtain master actions in a simple manner. We determine the assembly of the string anti-fields on the basis of Berkovits' constrained BV approach, and give solutions to the master equation defined by Dirac antibrackets on the constrained string field-antifield space. It is expected that partial gauge-fixing enables us to relate superstring field theories based on the large and small Hilbert spaces directly: reassembling string fields-antifields is rather natural from this point of view. Finally, inspired by these results, we revisit the conventional BV approach and construct a BV master action based on the minimal set of string fields-antifields.

Recent developments in the kinetic theory of nucleation.

PubMed

Ruckenstein, E; Djikaev, Y S

2005-12-30

A review of recent progress in the kinetics of nucleation is presented. In the conventional approach to the kinetic theory of nucleation, it is necessary to know the free energy of formation of a new-phase particle as a function of its independent variables at least for near-critical particles. Thus the conventional kinetic theory of nucleation is based on the thermodynamics of the process. The thermodynamics of nucleation can be examined by using various approaches, such as the capillarity approximation, density functional theory, and molecular simulation, each of which has its own advantages and drawbacks. Relatively recently a new approach to the kinetics of nucleation was proposed [Ruckenstein E, Nowakowski B. J Colloid Interface Sci 1990;137:583; Nowakowski B, Ruckenstein E. J Chem Phys 1991;94:8487], which is based on molecular interactions and does not employ the traditional thermodynamics, thus avoiding such a controversial notion as the surface tension of tiny clusters involved in nucleation. In the new kinetic theory the rate of emission of molecules by a new-phase particle is determined with the help of a mean first passage time analysis. This time is calculated by solving the single-molecule master equation for the probability distribution function of a surface layer molecule moving in a potential field created by the rest of the cluster. The new theory was developed for both liquid-to-solid and vapor-to-liquid phase transitions. In the former case the single-molecule master equation is the Fokker-Planck equation in the phase space which can be reduced to the Smoluchowski equation owing to the hierarchy of characteristic time scales. In the latter case, the starting master equation is a Fokker-Planck equation for the probability distribution function of a surface layer molecule with respect to both its energy and phase coordinates. Unlike the case of liquid-to-solid nucleation, this Fokker-Planck equation cannot be reduced to the Smoluchowski equation, but the hierarchy of time scales does allow one to reduce it to the Fokker-Plank equation in the energy space. The new theory provides an equation for the critical radius of a new-phase particle which in the limit of large clusters (low supersaturations) yields the Kelvin equation and hence an expression for the macroscopic surface tension. The theory was illustrated with numerical calculations for a molecular pair interaction potential combining the dispersive attraction with the hard-sphere repulsion. The results for the liquid-to-solid nucleation clearly show that at given supersaturation the nucleation rate depends on the cluster structure (for three cluster structures considered-amorphous, fcc, and icosahedral). For both the liquid-to-solid and vapor-to-liquid nucleation, the predictions of the theory are consistent with the results of classical nucleation theory (CNT) in the limit of large critical clusters (low supersaturations). For small critical clusters the new theory provides higher nucleation rates than CNT. This can be accounted for by the fact that CNT uses the macroscopic interfacial tension which presumably overpredicts the surface tension of small clusters, and hence underpredicts nucleation rates.

Generalized Quantum Theory and Mathematical Foundations of Quantum Field Theory

NASA Astrophysics Data System (ADS)

Maroun, Michael Anthony

This dissertation is divided into two main topics. The first is the generalization of quantum dynamics when the Schrodinger partial differential equation is not defined even in the weak mathematical sense because the potential function itself is a distribution in the spatial variable, the same variable that is used to define the kinetic energy operator, i.e. the Laplace operator. The procedure is an extension and broadening of the distributional calculus and offers spectral results as an alternative to the only other two known methods to date, namely a) the functional calculi; and b) non-standard analysis. Furthermore, the generalizations of quantum dynamics presented within give a resolution to the time asymmetry paradox created by multi-particle quantum mechanics due to the time evolution still being unitary. A consequence is the randomization of phases needed for the fundamental justification Pauli master equation. The second topic is foundations of the quantum theory of fields. The title is phrased as ``foundations'' to emphasize that there is no claim of uniqueness but rather a proposal is put forth, which is markedly different than that of constructive or axiomatic field theory. In particular, the space of fields is defined as a space of generalized functions with involutive symmetry maps (the CPT invariance) that affect the topology of the field space. The space of quantum fields is then endowed the Frechet property and interactions change the topology in such a way as to cause some field spaces to be incompatible with others. This is seen in the consequences of the Haag theorem. Various examples and discussions are given that elucidate a new view of the quantum theory of fields and its (lack of) mathematical structure.

Students' Difficulties with Vector Calculus in Electrodynamics

ERIC Educational Resources Information Center

Bollen, Laurens; van Kampen, Paul; De Cock, Mieke

2015-01-01

Understanding Maxwell's equations in differential form is of great importance when studying the electrodynamic phenomena discussed in advanced electromagnetism courses. It is therefore necessary that students master the use of vector calculus in physical situations. In this light we investigated the difficulties second year students at KU Leuven…

Activation energy-activation volume master plots for ion transport behavior in polymer electrolytes and supercooled molten salts.

PubMed

Ingram, Malcolm D; Imrie, Corrie T; Stoeva, Zlatka; Pas, Steven J; Funke, Klaus; Chandler, Howard W

2005-09-08

We demonstrate the use of activation energy versus activation volume "master plots" to explore ion transport in typical fragile glass forming systems exhibiting non-Arrhenius behavior. These systems include solvent-free salt complexes in poly(ethylene oxide) (PEO) and low molecular weight poly(propylene oxide) (PPO) and molten 2Ca(NO3)2.3KNO3 (CKN). Plots showing variations in apparent activation energy EA versus apparent activation volume VA are straight lines with slopes given by M = DeltaEA/DeltaVA. A simple ion transport mechanism is described where the rate determining step involves a dilatation (expressed as VA) around microscopic cavities and a corresponding work of expansion (EA). The slopes of the master plots M are equated to internal elastic moduli, which vary from 1.1 GPa for liquid PPO to 5.0 GPa for molten CKN on account of differing intermolecular forces in these materials.

Nonlinear optical response in narrow graphene nanoribbons

NASA Astrophysics Data System (ADS)

Karimi, Farhad; Knezevic, Irena

We present an iterative method to calculate the nonlinear optical response of armchair graphene nanoribbons (aGNRs) and zigzag graphene nanoribbons (zGNRs) while including the effects of dissipation. In contrast to methods that calculate the nonlinear response in the ballistic (dissipation-free) regime, here we obtain the nonlinear response of an electronic system to an external electromagnetic field while interacting with a dissipative environment (to second order). We use a self-consistent-field approach within a Markovian master-equation formalism (SCF-MMEF) coupled with full-wave electromagnetic equations, and we solve the master equation iteratively to obtain the higher-order response functions. We employ the SCF-MMEF to calculate the nonlinear conductance and susceptibility, as well as to calculate the dependence of the plasmon dispersion and plasmon propagation length on the intensity of the electromagnetic field in GNRs. The electron scattering mechanisms included in this work are scattering with intrinsic phonons, ionized impurities, surface optical phonons, and line-edge roughness. Unlike in wide GNRs, where ionized-impurity scattering dominates dissipation, in ultra-narrow nanoribbons on polar substrates optical-phonon scattering and ionized-impurity scattering are equally prominent. Support by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award DE-SC0008712.

Estimating the Accuracy of the Chedoke–McMaster Stroke Assessment Predictive Equations for Stroke Rehabilitation

PubMed Central

Dang, Mia; Ramsaran, Kalinda D.; Street, Melissa E.; Syed, S. Noreen; Barclay-Goddard, Ruth; Miller, Patricia A.

2011-01-01

ABSTRACT Purpose: To estimate the predictive accuracy and clinical usefulness of the Chedoke–McMaster Stroke Assessment (CMSA) predictive equations. Method: A longitudinal prognostic study using historical data obtained from 104 patients admitted post cerebrovascular accident was undertaken. Data were abstracted for all patients undergoing rehabilitation post stroke who also had documented admission and discharge CMSA scores. Published predictive equations were used to determine predicted outcomes. To determine the accuracy and clinical usefulness of the predictive model, shrinkage coefficients and predictions with 95% confidence bands were calculated. Results: Complete data were available for 74 patients with a mean age of 65.3±12.4 years. The shrinkage values for the six Impairment Inventory (II) dimensions varied from −0.05 to 0.09; the shrinkage value for the Activity Inventory (AI) was 0.21. The error associated with predictive values was greater than ±1.5 stages for the II dimensions and greater than ±24 points for the AI. Conclusions: This study shows that the large error associated with the predictions (as defined by the confidence band) for the CMSA II and AI limits their clinical usefulness as a predictive measure. Further research to establish predictive models using alternative statistical procedures is warranted. PMID:22654239

Dielectric function and plasmons in graphene: A self-consistent-field calculation within a Markovian master equation formalism

DOE PAGES

Karimi, F.; Davoody, A. H.; Knezevic, I.

2016-05-12

We introduce a method for calculating the dielectric function of nanostructures with an arbitrary band dispersion and Bloch wave functions. The linear response of a dissipative electronic system to an external electromagnetic field is calculated by a self-consistent-field approach within a Markovian master equation formalism (SCF-MMEF) coupled with full-wave electromagnetic equations. The SCF-MMEF accurately accounts for several concurrent scattering mechanisms. The method captures interband electron-hole-pair generation, as well as the interband and intraband electron scattering with phonons and impurities. We employ the SCF-MMEF to calculate the dielectric function, complex conductivity, and loss function for supported graphene. From the loss-function maximum,more » we obtain plasmon dispersion and propagation length for different substrate types [nonpolar diamondlike carbon (DLC) and polar SiO 2 and hBN], impurity densities, carrier densities, and temperatures. Plasmons on the two polar substrates are suppressed below the highest surface phonon energy, while the spectrum is broad on the nonpolar DLC. Plasmon propagation lengths are comparable on polar and nonpolar substrates and are on the order of tens of nanometers, considerably shorter than previously reported. As a result, they improve with fewer impurities, at lower temperatures, and at higher carrier densities.« less

A framework for discrete stochastic simulation on 3D moving boundary domains

DOE PAGES

Drawert, Brian; Hellander, Stefan; Trogdon, Michael; ...

2016-11-14

We have developed a method for modeling spatial stochastic biochemical reactions in complex, three-dimensional, and time-dependent domains using the reaction-diffusion master equation formalism. In particular, we look to address the fully coupled problems that arise in systems biology where the shape and mechanical properties of a cell are determined by the state of the biochemistry and vice versa. To validate our method and characterize the error involved, we compare our results for a carefully constructed test problem to those of a microscale implementation. Finally, we demonstrate the effectiveness of our method by simulating a model of polarization and shmoo formationmore » during the mating of yeast. The method is generally applicable to problems in systems biology where biochemistry and mechanics are coupled, and spatial stochastic effects are critical.« less

Four-electron model for singlet and triplet excitation energy transfers with inclusion of coherence memory, inelastic tunneling and nuclear quantum effects

NASA Astrophysics Data System (ADS)

Suzuki, Yosuke; Ebina, Kuniyoshi; Tanaka, Shigenori

2016-08-01

A computational scheme to describe the coherent dynamics of excitation energy transfer (EET) in molecular systems is proposed on the basis of generalized master equations with memory kernels. This formalism takes into account those physical effects in electron-bath coupling system such as the spin symmetry of excitons, the inelastic electron tunneling and the quantum features of nuclear motions, thus providing a theoretical framework to perform an ab initio description of EET through molecular simulations for evaluating the spectral density and the temporal correlation function of electronic coupling. Some test calculations have then been carried out to investigate the dependence of exciton population dynamics on coherence memory, inelastic tunneling correlation time, magnitude of electronic coupling, quantum correction to temporal correlation function, reorganization energy and energy gap.

CERENA: ChEmical REaction Network Analyzer--A Toolbox for the Simulation and Analysis of Stochastic Chemical Kinetics.

PubMed

Kazeroonian, Atefeh; Fröhlich, Fabian; Raue, Andreas; Theis, Fabian J; Hasenauer, Jan

2016-01-01

Gene expression, signal transduction and many other cellular processes are subject to stochastic fluctuations. The analysis of these stochastic chemical kinetics is important for understanding cell-to-cell variability and its functional implications, but it is also challenging. A multitude of exact and approximate descriptions of stochastic chemical kinetics have been developed, however, tools to automatically generate the descriptions and compare their accuracy and computational efficiency are missing. In this manuscript we introduced CERENA, a toolbox for the analysis of stochastic chemical kinetics using Approximations of the Chemical Master Equation solution statistics. CERENA implements stochastic simulation algorithms and the finite state projection for microscopic descriptions of processes, the system size expansion and moment equations for meso- and macroscopic descriptions, as well as the novel conditional moment equations for a hybrid description. This unique collection of descriptions in a single toolbox facilitates the selection of appropriate modeling approaches. Unlike other software packages, the implementation of CERENA is completely general and allows, e.g., for time-dependent propensities and non-mass action kinetics. By providing SBML import, symbolic model generation and simulation using MEX-files, CERENA is user-friendly and computationally efficient. The availability of forward and adjoint sensitivity analyses allows for further studies such as parameter estimation and uncertainty analysis. The MATLAB code implementing CERENA is freely available from http://cerenadevelopers.github.io/CERENA/.

CERENA: ChEmical REaction Network Analyzer—A Toolbox for the Simulation and Analysis of Stochastic Chemical Kinetics

PubMed Central

Kazeroonian, Atefeh; Fröhlich, Fabian; Raue, Andreas; Theis, Fabian J.; Hasenauer, Jan

2016-01-01

Gene expression, signal transduction and many other cellular processes are subject to stochastic fluctuations. The analysis of these stochastic chemical kinetics is important for understanding cell-to-cell variability and its functional implications, but it is also challenging. A multitude of exact and approximate descriptions of stochastic chemical kinetics have been developed, however, tools to automatically generate the descriptions and compare their accuracy and computational efficiency are missing. In this manuscript we introduced CERENA, a toolbox for the analysis of stochastic chemical kinetics using Approximations of the Chemical Master Equation solution statistics. CERENA implements stochastic simulation algorithms and the finite state projection for microscopic descriptions of processes, the system size expansion and moment equations for meso- and macroscopic descriptions, as well as the novel conditional moment equations for a hybrid description. This unique collection of descriptions in a single toolbox facilitates the selection of appropriate modeling approaches. Unlike other software packages, the implementation of CERENA is completely general and allows, e.g., for time-dependent propensities and non-mass action kinetics. By providing SBML import, symbolic model generation and simulation using MEX-files, CERENA is user-friendly and computationally efficient. The availability of forward and adjoint sensitivity analyses allows for further studies such as parameter estimation and uncertainty analysis. The MATLAB code implementing CERENA is freely available from http://cerenadevelopers.github.io/CERENA/. PMID:26807911

Waiting time distribution for continuous stochastic systems

NASA Astrophysics Data System (ADS)

Gernert, Robert; Emary, Clive; Klapp, Sabine H. L.

2014-12-01

The waiting time distribution (WTD) is a common tool for analyzing discrete stochastic processes in classical and quantum systems. However, there are many physical examples where the dynamics is continuous and only approximately discrete, or where it is favourable to discuss the dynamics on a discretized and a continuous level in parallel. An example is the hindered motion of particles through potential landscapes with barriers. In the present paper we propose a consistent generalization of the WTD from the discrete case to situations where the particles perform continuous barrier crossing characterized by a finite duration. To this end, we introduce a recipe to calculate the WTD from the Fokker-Planck (Smoluchowski) equation. In contrast to the closely related first passage time distribution (FPTD), which is frequently used to describe continuous processes, the WTD contains information about the direction of motion. As an application, we consider the paradigmatic example of an overdamped particle diffusing through a washboard potential. To verify the approach and to elucidate its numerical implications, we compare the WTD defined via the Smoluchowski equation with data from direct simulation of the underlying Langevin equation and find full consistency provided that the jumps in the Langevin approach are defined properly. Moreover, for sufficiently large energy barriers, the WTD defined via the Smoluchowski equation becomes consistent with that resulting from the analytical solution of a (two-state) master equation model for the short-time dynamics developed previously by us [Phys. Rev. E 86, 061135 (2012), 10.1103/PhysRevE.86.061135]. Thus, our approach "interpolates" between these two types of stochastic motion. We illustrate our approach for both symmetric systems and systems under constant force.

Modelling chemical depletion profiles in regolith

USGS Publications Warehouse

Brantley, S.L.; Bandstra, J.; Moore, J.; White, A.F.

2008-01-01

Chemical or mineralogical profiles in regolith display reaction fronts that document depletion of leachable elements or minerals. A generalized equation employing lumped parameters was derived to model such ubiquitously observed patterns:C = frac(C0, frac(C0 - Cx = 0, Cx = 0) exp (??ini ?? over(k, ??) ?? x) + 1)Here C, Cx = 0, and Co are the concentrations of an element at a given depth x, at the top of the reaction front, or in parent respectively. ??ini is the roughness of the dissolving mineral in the parent and k???? is a lumped kinetic parameter. This kinetic parameter is an inverse function of the porefluid advective velocity and a direct function of the dissolution rate constant times mineral surface area per unit volume regolith. This model equation fits profiles of concentration versus depth for albite in seven weathering systems and is consistent with the interpretation that the surface area (m2 mineral m- 3 bulk regolith) varies linearly with the concentration of the dissolving mineral across the front. Dissolution rate constants can be calculated from the lumped fit parameters for these profiles using observed values of weathering advance rate, the proton driving force, the geometric surface area per unit volume regolith and parent concentration of albite. These calculated values of the dissolution rate constant compare favorably to literature values. The model equation, useful for reaction fronts in both steady-state erosional and quasi-stationary non-erosional systems, incorporates the variation of reaction affinity using pH as a master variable. Use of this model equation to fit depletion fronts for soils highlights the importance of buffering of pH in the soil system. Furthermore, the equation should allow better understanding of the effects of important environmental variables on weathering rates. ?? 2008.

Barrierless Reactions with Loose Transition States Govern the Yields and Lifetimes of Organic Nitrates Derived from Isoprene

EPA Science Inventory

The chemical reaction mechanism of NO addition to two β and δ isoprene hydroxy–peroxy radical isomers is examined in detail using density functional theory, coupled cluster methods, and the energy resolved master equation formalism to provide estimates of rate co...

Fundamentals of Acoustic Backscatter Imagery

DTIC Science & Technology

1997-10-20

in HYSAS of the acoustic imagery layer of the Master Seafloor Digital Database (MSDDB). Manuscript approved December 19, 1996 2 Clyde E. Nishimura 1.1...than for sidescan systems. Refraction is simply described by Snell’s law, which is derived from the eikonal equation and Fermat’s principle, and can

Students’ difficulties in solving linear equation problems

NASA Astrophysics Data System (ADS)

Wati, S.; Fitriana, L.; Mardiyana

2018-03-01

A linear equation is an algebra material that exists in junior high school to university. It is a very important material for students in order to learn more advanced mathematics topics. Therefore, linear equation material is essential to be mastered. However, the result of 2016 national examination in Indonesia showed that students’ achievement in solving linear equation problem was low. This fact became a background to investigate students’ difficulties in solving linear equation problems. This study used qualitative descriptive method. An individual written test on linear equation tasks was administered, followed by interviews. Twenty-one sample students of grade VIII of SMPIT Insan Kamil Karanganyar did the written test, and 6 of them were interviewed afterward. The result showed that students with high mathematics achievement donot have difficulties, students with medium mathematics achievement have factual difficulties, and students with low mathematics achievement have factual, conceptual, operational, and principle difficulties. Based on the result there is a need of meaningfulness teaching strategy to help students to overcome difficulties in solving linear equation problems.

Will learning to solve one-step equations pose a challenge to 8th grade students?

NASA Astrophysics Data System (ADS)

Ngu, Bing Hiong; Phan, Huy P.

2017-08-01

Assimilating multiple interactive elements simultaneously in working memory to allow understanding to occur, while solving an equation, would impose a high cognitive load. Element interactivity arises from the interaction between elements within and across operational and relational lines. Moreover, operating with special features (e.g. negative pronumeral) poses additional challenge to master equation solving skills. In an experiment, 41 8th grade students (girls = 16, boys = 25) sat for a pre-test, attended a session about equation solving, completed an acquisition phase which constituted the main intervention and were tested again in a post-test. The results showed that at post-test, students performed better on one-step equations tapping low rather than high element interactivity knowledge. In addition, students performed better on those one-step equations that contained no special features. Thus, both the degree of element interactivity and the operation with special features affect the challenge posed to 8th grade students on learning how to solve one-step equations.

Sign reversals of the output autocorrelation function for the stochastic Bernoulli-Verhulst equation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lumi, N., E-mail: Neeme.Lumi@tlu.ee; Mankin, R., E-mail: Romi.Mankin@tlu.ee

2015-10-28

We consider a stochastic Bernoulli-Verhulst equation as a model for population growth processes. The effect of fluctuating environment on the carrying capacity of a population is modeled as colored dichotomous noise. Relying on the composite master equation an explicit expression for the stationary autocorrelation function (ACF) of population sizes is found. On the basis of this expression a nonmonotonic decay of the ACF by increasing lag-time is shown. Moreover, in a certain regime of the noise parameters the ACF demonstrates anticorrelation as well as related sign reversals at some values of the lag-time. The conditions for the appearance of thismore » highly unexpected effect are also discussed.« less

Final Environmental Assessment: For Joint Base Anacostia-Bolling Master Plan District of Columbia

DTIC Science & Technology

2010-09-30

the impacts of vehicle travel and facilitate alternative modes of transportation that would reduce air pollutants . Noise: There would be...ltlb•nKM nr~t~~G.,~ StEiiubetlls Fort McNair East Potomac Pari < Poplar Point "" Joint Base Anacostia-Bolling Master Plan Environmental...Industrial $uppon Eost Potomac Pari < Poplar Point Joint Base Anacostia-Bolling Master Plan Environmental Assessment pg. 16 Several general

Algorithmic transformation of multi-loop master integrals to a canonical basis with CANONICA

NASA Astrophysics Data System (ADS)

Meyer, Christoph

2018-01-01

The integration of differential equations of Feynman integrals can be greatly facilitated by using a canonical basis. This paper presents the Mathematica package CANONICA, which implements a recently developed algorithm to automatize the transformation to a canonical basis. This represents the first publicly available implementation suitable for differential equations depending on multiple scales. In addition to the presentation of the package, this paper extends the description of some aspects of the algorithm, including a proof of the uniqueness of canonical forms up to constant transformations.

General theory of excitation energy transfer in donor-mediator-acceptor systems.

PubMed

Kimura, Akihiro

2009-04-21

General theory of the excitation energy transfer (EET) in the case of donor-mediator-acceptor system was constructed by using generalized master equation (GME). In this theory, we consider the direct and indirect transitions in the EET consistently. Hence, our theory includes the quantum mechanical interference between the direct and indirect transitions automatically. Memory functions in the GME were expressed by the overlap integrals among the time-dependent emission spectrum of the donor, the absorption spectrum of the mediator, the time-dependent emission spectrum of the mediator, and the absorption spectrum of the acceptor. In the Markov limit of the memory functions, we obtained the rate of EET which consists of three terms due to the direct transition, the indirect transition, and the interference between them. We found that the interference works effectively in the limit of slow thermalization at the intermediate state. The formula of EET rate in this limit was expressed by the convolution of the EET interaction and optical spectra. The interference effect strongly depends on the width of the absorption spectrum of mediator molecule and the energy gap between the donor and the mediator molecules.

Lagrangian theory of structure formation in relativistic cosmology. IV. Lagrangian approach to gravitational waves

NASA Astrophysics Data System (ADS)

Al Roumi, Fosca; Buchert, Thomas; Wiegand, Alexander

2017-12-01

The relativistic generalization of the Newtonian Lagrangian perturbation theory is investigated. In previous works, the perturbation and solution schemes that are generated by the spatially projected gravitoelectric part of the Weyl tensor were given to any order of the perturbations, together with extensions and applications for accessing the nonperturbative regime. We here discuss more in detail the general first-order scheme within the Cartan formalism including and concentrating on the gravitational wave propagation in matter. We provide master equations for all parts of Lagrangian-linearized perturbations propagating in the perturbed spacetime, and we outline the solution procedure that allows one to find general solutions. Particular emphasis is given to global properties of the Lagrangian perturbation fields by employing results of Hodge-de Rham theory. We here discuss how the Hodge decomposition relates to the standard scalar-vector-tensor decomposition. Finally, we demonstrate that we obtain the known linear perturbation solutions of the standard relativistic perturbation scheme by performing two steps: first, by restricting our solutions to perturbations that propagate on a flat unperturbed background spacetime and, second, by transforming to Eulerian background coordinates with truncation of nonlinear terms.

Quantum to classical transition in quantum field theory

NASA Astrophysics Data System (ADS)

Lombardo, Fernando C.

1998-12-01

We study the quatum to classical transition process in the context of quantum field theory. Extending the influence functional formalism of Feynman and Vernon, we study the decoherence process for self-interacting quantum fields in flat space. We also use this formalism for arbitrary geometries to analyze the quantum to classical transition in quantum gravity. After summarizing the main results known for the quantum Brownian motion, we consider a self-interacting field theory in Minkowski spacetime. We compute a coarse grained effective action by integrating out the field modes with wavelength shorter than a critical value. From this effective action we obtain the evolution equation for the reduced density matrix (master equation). We compute the diffusion coefficients for this equation and analyze the decoherence induced on the long-wavelength modes. We generalize the results to the case of a conformally coupled scalar field in de Sitter spacetime. We show that the decoherence is effective as long as the critical wavelength is taken to be not shorter than the Hubble radius. On the other hand, we study the classical limit for scalar-tensorial models in two dimensions. We consider different couplings between the dilaton and the scalar field. We discuss the Hawking radiation process and, from an exact evaluation of the influence functional, we study the conditions by which decoherence ensures the validity of the semiclassical approximation in cosmological metrics. Finally we consider four dimensional models with massive scalar fields, arbitrary coupled to the geometry. We compute the Einstein-Langevin equations in order to study the effect of the fluctuations induced by the quantum fields on the classical geometry.

BOKASUN: A fast and precise numerical program to calculate the Master Integrals of the two-loop sunrise diagrams

NASA Astrophysics Data System (ADS)

Caffo, Michele; Czyż, Henryk; Gunia, Michał; Remiddi, Ettore

2009-03-01

We present the program BOKASUN for fast and precise evaluation of the Master Integrals of the two-loop self-mass sunrise diagram for arbitrary values of the internal masses and the external four-momentum. We use a combination of two methods: a Bernoulli accelerated series expansion and a Runge-Kutta numerical solution of a system of linear differential equations. Program summaryProgram title: BOKASUN Catalogue identifier: AECG_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECG_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 9404 No. of bytes in distributed program, including test data, etc.: 104 123 Distribution format: tar.gz Programming language: FORTRAN77 Computer: Any computer with a Fortran compiler accepting FORTRAN77 standard. Tested on various PC's with LINUX Operating system: LINUX RAM: 120 kbytes Classification: 4.4 Nature of problem: Any integral arising in the evaluation of the two-loop sunrise Feynman diagram can be expressed in terms of a given set of Master Integrals, which should be calculated numerically. The program provides a fast and precise evaluation method of the Master Integrals for arbitrary (but not vanishing) masses and arbitrary value of the external momentum. Solution method: The integrals depend on three internal masses and the external momentum squared p. The method is a combination of an accelerated expansion in 1/p in its (pretty large!) region of fast convergence and of a Runge-Kutta numerical solution of a system of linear differential equations. Running time: To obtain 4 Master Integrals on PC with 2 GHz processor it takes 3 μs for series expansion with pre-calculated coefficients, 80 μs for series expansion without pre-calculated coefficients, from a few seconds up to a few minutes for Runge-Kutta method (depending on the required accuracy and the values of the physical parameters).

Teaching Quantitative Management to Evening MBA Students.

ERIC Educational Resources Information Center

Libby, Barbara

1984-01-01

The author discusses the mathematics background of Masters of Business Administration (MBA) students and asks what math tools are necessary for an MBA. While she finds useful the ability to deal with linear and quadratic equations; interest, depreciation, and growth rates; and word problems, she concludes that calculus is of little use apart from…

Super-Group Field Cosmology in Batalin-Vilkovisky Formulation

NASA Astrophysics Data System (ADS)

Upadhyay, Sudhaker

2016-09-01

In this paper we study the third quantized super-group field cosmology, a model in multiverse scenario, in Batalin-Vilkovisky (BV) formulation. Further, we propose the superfield/super-antifield dependent BRST symmetry transformations. Within this formulation we establish connection between the two different solutions of the quantum master equation within the BV formulation.

Application of a Master Equation for Quantitative mRNA Analysis Using qRT-PCR

USDA-ARS?s Scientific Manuscript database

The qRT-PCR has been widely accepted as the assay of choice for mRNA quantification. Gene expression as measured by mRNA dynamics varies in response to different conditions and environmental stimuli. For conventional practice, housekeeping genes have been applied as internal reference for data nor...

Steady bipartite coherence induced by non-equilibrium environment

NASA Astrophysics Data System (ADS)

Huangfu, Yong; Jing, Jun

2018-01-01

We study the steady state of two coupled two-level atoms interacting with a non-equilibrium environment that consists of two heat baths at different temperatures. Specifically, we analyze four cases with respect to the configuration about the interactions between atoms and heat baths. Using secular approximation, the conventional master equation usually neglects steady-state coherence, even when the system is coupled with a non-equilibrium environment. When employing the master equation with no secular approximation, we find that the system coherence in our model, denoted by the off-diagonal terms in the reduced density matrix spanned by the eigenvectors of the system Hamiltonian, would survive after a long-time decoherence evolution. The absolute value of residual coherence in the system relies on different configurations of interaction channels between the system and the heat baths. We find that a large steady quantum coherence term can be achieved when the two atoms are resonant. The absolute value of quantum coherence decreases in the presence of additional atom-bath interaction channels. Our work sheds new light on the mechanism of steady-state coherence in microscopic quantum systems in non-equilibrium environments.

Symmetric and antisymmetric forms of the Pauli master equation

PubMed Central

Klimenko, A. Y.

2016-01-01

When applied to matter and antimatter states, the Pauli master equation (PME) may have two forms: time-symmetric, which is conventional, and time-antisymmetric, which is suggested in the present work. The symmetric and antisymmetric forms correspond to symmetric and antisymmetric extensions of thermodynamics from matter to antimatter — this is demonstrated by proving the corresponding H-theorem. The two forms are based on the thermodynamic similarity of matter and antimatter and differ only in the directions of thermodynamic time for matter and antimatter (the same in the time-symmetric case and the opposite in the time-antisymmetric case). We demonstrate that, while the symmetric form of PME predicts an equibalance between matter and antimatter, the antisymmetric form of PME favours full conversion of antimatter into matter. At this stage, it is impossible to make an experimentally justified choice in favour of the symmetric or antisymmetric versions of thermodynamics since we have no experience of thermodynamic properties of macroscopic objects made of antimatter, but experiments of this kind may become possible in the future. PMID:27440454

Cavity-coupled double-quantum dot at finite bias: Analogy with lasers and beyond

NASA Astrophysics Data System (ADS)

Kulkarni, Manas; Cotlet, Ovidiu; Türeci, Hakan E.

2014-09-01

We present a theoretical and experimental study of photonic and electronic transport properties of a voltage biased InAs semiconductor double quantum dot (DQD) that is dipole coupled to a superconducting transmission line resonator. We obtain the master equation for the reduced density matrix of the coupled system of cavity photons and DQD electrons accounting systematically for both the presence of phonons and the effect of leads at finite voltage bias. We subsequently derive analytical expressions for transmission, phase response, photon number, and the nonequilibrium steady-state electron current. We show that the coupled system under finite bias realizes an unconventional version of a single-atom laser and analyze the spectrum and the statistics of the photon flux leaving the cavity. In the transmission mode, the system behaves as a saturable single-atom amplifier for the incoming photon flux. Finally, we show that the back action of the photon emission on the steady-state current can be substantial. Our analytical results are compared to exact master equation results establishing regimes of validity of various analytical models. We compare our findings to available experimental measurements.

Two-mode mazer injected with V-type three-level atoms

NASA Astrophysics Data System (ADS)

Liang, Wen-Qing; Zhang, Zhi-Ming; Xie, Sheng-Wu

2003-12-01

The properties of the two-mode mazer operating on V-type three-level atoms are studied. The effect of the one-atom pumping on the two modes of the cavity field in number-state is asymmetric, that is, the atom emits a photon into one mode with some probability and absorbs a photon from the other mode with some other probability. This effect makes the steady-state photon distribution and the steady-state photon statistics asymmetric for the two modes. The diagram of the probability currents for the photon distribution, given by the analysis of the master equation, reveals that there is no detailed balance solution for the master equation. The computations show that the photon statistics of one mode or both modes can be sub-Poissonian, that the two modes can have anticorrelation or correlation, that the photon statistics increases with the increase of thermal photons and that the resonant position and strength of the photon statistics are influenced by the ratio of the two coupling strengths of the two modes. These properties are also discussed physically.

Master curve characterization of the fracture toughness behavior in SA508 Gr.4N low alloy steels

NASA Astrophysics Data System (ADS)

Lee, Ki-Hyoung; Kim, Min-Chul; Lee, Bong-Sang; Wee, Dang-Moon

2010-08-01

The fracture toughness properties of the tempered martensitic SA508 Gr.4N Ni-Mo-Cr low alloy steel for reactor pressure vessels were investigated by using the master curve concept. These results were compared to those of the bainitic SA508 Gr.3 Mn-Mo-Ni low alloy steel, which is a commercial RPV material. The fracture toughness tests were conducted by 3-point bending with pre-cracked charpy (PCVN) specimens according to the ASTM E1921-09c standard method. The temperature dependency of the fracture toughness was steeper than those predicted by the standard master curve, while the bainitic SA508 Gr.3 steel fitted well with the standard prediction. In order to properly evaluate the fracture toughness of the Gr.4N steels, the exponential coefficient of the master curve equation was changed and the modified curve was applied to the fracture toughness test results of model alloys that have various chemical compositions. It was found that the modified curve provided a better description for the overall fracture toughness behavior and adequate T0 determination for the tempered martensitic SA508 Gr.4N steels.

Fokker-Planck equation of the reduced Wigner function associated to an Ohmic quantum Langevin dynamics

NASA Astrophysics Data System (ADS)

Colmenares, Pedro J.

2018-05-01

This article has to do with the derivation and solution of the Fokker-Planck equation associated to the momentum-integrated Wigner function of a particle subjected to a harmonic external field in contact with an ohmic thermal bath of quantum harmonic oscillators. The strategy employed is a simplified version of the phenomenological approach of Schramm, Jung, and Grabert of interpreting the operators as c numbers to derive the quantum master equation arising from a twofold transformation of the Wigner function of the entire phase space. The statistical properties of the random noise comes from the integral functional theory of Grabert, Schramm, and Ingold. By means of a single Wigner transformation, a simpler equation than that mentioned before is found. The Wigner function reproduces the known results of the classical limit. This allowed us to rewrite the underdamped classical Langevin equation as a first-order stochastic differential equation with time-dependent drift and diffusion terms.

Creep rupture of polymer-matrix composites

NASA Technical Reports Server (NTRS)

Brinson, H. F.; Morris, D. H.; Griffith, W. I.

1981-01-01

The time-dependent creep-rupture process in graphite-epoxy laminates is examined as a function of temperature and stress level. Moisture effects are not considered. An accelerated characterization method of composite-laminate viscoelastic modulus and strength properties is reviewed. It is shown that lamina-modulus master curves can be obtained using a minimum of normally performed quality-control-type testing. Lamina-strength master curves, obtained by assuming a constant-strain-failure criterion, are presented along with experimental data, and reasonably good agreement is shown to exist between the two. Various phenomenological delayed failure models are reviewed and two (the modified rate equation and the Larson-Miller parameter method) are compared to creep-rupture data with poor results.

Analytic integration of real-virtual counterterms in NNLO jet cross sections I

NASA Astrophysics Data System (ADS)

Aglietti, Ugo; Del Duca, Vittorio; Duhr, Claude; Somogyi, Gábor; Trócsányi, Zoltán

2008-09-01

We present analytic evaluations of some integrals needed to give explicitly the integrated real-virtual counterterms, based on a recently proposed subtraction scheme for next-to-next-to-leading order (NNLO) jet cross sections. After an algebraic reduction of the integrals, integration-by-parts identities are used for the reduction to master integrals and for the computation of the master integrals themselves by means of differential equations. The results are written in terms of one- and two-dimensional harmonic polylogarithms, once an extension of the standard basis is made. We expect that the techniques described here will be useful in computing other integrals emerging in calculations in perturbative quantum field theories.

The Mechanisms of Aberrant Protein Aggregation

NASA Astrophysics Data System (ADS)

Cohen, Samuel; Vendruscolo, Michele; Dobson, Chris; Knowles, Tuomas

2012-02-01

We discuss the development of a kinetic theory for understanding the aberrant loss of solubility of proteins. The failure to maintain protein solubility results often in the assembly of organized linear structures, commonly known as amyloid fibrils, the formation of which is associated with over 50 clinical disorders including Alzheimer's and Parkinson's diseases. A true microscopic understanding of the mechanisms that drive these aggregation processes has proved difficult to achieve. To address this challenge, we apply the methodologies of chemical kinetics to the biomolecular self-assembly pathways related to protein aggregation. We discuss the relevant master equation and analytical approaches to studying it. In particular, we derive the underlying rate laws in closed-form using a self-consistent solution scheme; the solutions that we obtain reveal scaling behaviors that are very generally present in systems of growing linear aggregates, and, moreover, provide a general route through which to relate experimental measurements to mechanistic information. We conclude by outlining a study of the aggregation of the Alzheimer's amyloid-beta peptide. The study identifies the dominant microscopic mechanism of aggregation and reveals previously unidentified therapeutic strategies.

Basic governing equations for the flight regimes of aeroassisted orbital transfer vehicles

NASA Technical Reports Server (NTRS)

Lee, J.-H.

1984-01-01

The basic governing equations for the low-density, high-enthalpy flow regimes expected in the shock layers over the heat shields of the proposed aeroassisted orbital transfer vehicles are derived by combining and extending existing theories. The conservation equations are derived from gas kinetic principles for a four-component ionized gas consisting of neutral molecules, neutral atoms, singly ionized ions, and electrons, assuming a continuum flow. The differences among translational-rotational, vibrational, and electron temperatures are accounted for, as well as chemical nonequilibrium and electric-charge separation. Expressions for convective and viscous fluxes, transport properties, and the terms representing interactions among various energy modes are given explicitly. The expressions for the rate of electron-vibration energy transfer, which violates the Landau-Teller conditions, is derived by solving the system of master equations accounting for the multiple-level transitions.

Basic Governing Equations for the Flight Regimes of Aeroassisted Orbital Transfer Vehicles

NASA Technical Reports Server (NTRS)

Lee, Jong-Hun

1985-01-01

The basic governing equations for the low-density, high-enthalpy flow regimes expected in the shock layers over the heat shields of the proposed aeroassisted orbital transfer vehicles are derived by combining and extending existing theories. The conservation equations are derived from gas kinetic principles for a four-component ionized gas consisting of neutral molecules, neutral atoms, singly ionized ions, and electrons, assuming a continuum flow. The differences among translational-rotational, vibrational, and electron temperatures are accounted for, as well as chemical nonequilibrium and electric-charge separation. Expressions for convective and viscous fluxes, transport properties, and the terms representing interactions among various energy modes are explicitly given. The expressions for the rate of electron-vibration energy transfer, which violates the Landau-Teller conditions, are derived by solving the system of master equations accounting for the multiple-level transitions.

Buckling Analysis for Stiffened Anisotropic Circular Cylinders Based on Sanders Nonlinear Shell Theory

NASA Technical Reports Server (NTRS)

Nemeth, Michael P.

2014-01-01

Nonlinear and bifurcation buckling equations for elastic, stiffened, geometrically perfect, right-circular cylindrical, anisotropic shells subjected to combined loads are presented that are based on Sanders' shell theory. Based on these equations, a three-parameter approximate Rayleigh-Ritz solution and a classical solution to the buckling problem are presented for cylinders with simply supported edges. Extensive comparisons of results obtained from these solutions with published results are also presented for a wide range of cylinder constructions. These comparisons include laminated-composite cylinders with a wide variety of shell-wall orthotropies and anisotropies. Numerous results are also given that show the discrepancies between the results obtained by using Donnell's equations and variants of Sanders' equations. For some cases, nondimensional parameters are identified and "master" curves are presented that facilitate the concise representation of results.

Computation of the asymptotic states of modulated open quantum systems with a numerically exact realization of the quantum trajectory method

NASA Astrophysics Data System (ADS)

Volokitin, V.; Liniov, A.; Meyerov, I.; Hartmann, M.; Ivanchenko, M.; Hänggi, P.; Denisov, S.

2017-11-01

Quantum systems out of equilibrium are presently a subject of active research, both in theoretical and experimental domains. In this work, we consider time-periodically modulated quantum systems that are in contact with a stationary environment. Within the framework of a quantum master equation, the asymptotic states of such systems are described by time-periodic density operators. Resolution of these operators constitutes a nontrivial computational task. Approaches based on spectral and iterative methods are restricted to systems with the dimension of the hosting Hilbert space dim H =N ≲300 , while the direct long-time numerical integration of the master equation becomes increasingly problematic for N ≳400 , especially when the coupling to the environment is weak. To go beyond this limit, we use the quantum trajectory method, which unravels the master equation for the density operator into a set of stochastic processes for wave functions. The asymptotic density matrix is calculated by performing a statistical sampling over the ensemble of quantum trajectories, preceded by a long transient propagation. We follow the ideology of event-driven programming and construct a new algorithmic realization of the method. The algorithm is computationally efficient, allowing for long "leaps" forward in time. It is also numerically exact, in the sense that, being given the list of uniformly distributed (on the unit interval) random numbers, {η1,η2,...,ηn} , one could propagate a quantum trajectory (with ηi's as norm thresholds) in a numerically exact way. By using a scalable N -particle quantum model, we demonstrate that the algorithm allows us to resolve the asymptotic density operator of the model system with N =2000 states on a regular-size computer cluster, thus reaching the scale on which numerical studies of modulated Hamiltonian systems are currently performed.

Dynamic control modification techniques in teleoperation of a flexible manipulator. M.S. Thesis

NASA Technical Reports Server (NTRS)

Magee, David Patrick

1991-01-01

The objective of this research is to reduce the end-point vibration of a large, teleoperated manipulator while preserving the usefulness of the system motion. A master arm is designed to measure desired joint angles as the user specifies a desired tip motion. The desired joint angles from the master arm are the inputs to an adaptive PD control algorithm that positions the end-point of the manipulator. As the user moves the tip of the master, the robot will vibrate at its natural frequencies which makes it difficult to position the end-point. To eliminate the tip vibration during teleoperated motions, an input shaping method is presented. The input shaping method transforms each sample of the desired input into a new set of impulses that do not excite the system resonances. The method is explained using the equation of motion for a simple, second-order system. The impulse response of such a system is derived and the constraint equations for vibrationless motion are presented. To evaluate the robustness of the method, a different residual vibration equation from Singer's is derived that more accurately represents the input shaping technique. The input shaping method is shown to actually increase the residual vibration in certain situations when the system parameters are not accurately specified. Finally, the implementation of the input shaping method to a system with varying parameters is shown to induce a vibration into the system. To eliminate this vibration, a modified command shaping technique is developed. The ability of the modified command shaping method to reduce vibration at the system resonances is tested by varying input perturbations to trajectories in a range of possible user inputs. By comparing the frequency responses of the transverse acceleration at the end-point of the manipulator, the modified method is compared to the original PD routine. The control scheme that produces the smaller magnitude of resonant vibration at the first natural frequency is considered the more effective control method.

Computation of the asymptotic states of modulated open quantum systems with a numerically exact realization of the quantum trajectory method.

PubMed

Volokitin, V; Liniov, A; Meyerov, I; Hartmann, M; Ivanchenko, M; Hänggi, P; Denisov, S

2017-11-01

Quantum systems out of equilibrium are presently a subject of active research, both in theoretical and experimental domains. In this work, we consider time-periodically modulated quantum systems that are in contact with a stationary environment. Within the framework of a quantum master equation, the asymptotic states of such systems are described by time-periodic density operators. Resolution of these operators constitutes a nontrivial computational task. Approaches based on spectral and iterative methods are restricted to systems with the dimension of the hosting Hilbert space dimH=N≲300, while the direct long-time numerical integration of the master equation becomes increasingly problematic for N≳400, especially when the coupling to the environment is weak. To go beyond this limit, we use the quantum trajectory method, which unravels the master equation for the density operator into a set of stochastic processes for wave functions. The asymptotic density matrix is calculated by performing a statistical sampling over the ensemble of quantum trajectories, preceded by a long transient propagation. We follow the ideology of event-driven programming and construct a new algorithmic realization of the method. The algorithm is computationally efficient, allowing for long "leaps" forward in time. It is also numerically exact, in the sense that, being given the list of uniformly distributed (on the unit interval) random numbers, {η_{1},η_{2},...,η_{n}}, one could propagate a quantum trajectory (with η_{i}'s as norm thresholds) in a numerically exact way. By using a scalable N-particle quantum model, we demonstrate that the algorithm allows us to resolve the asymptotic density operator of the model system with N=2000 states on a regular-size computer cluster, thus reaching the scale on which numerical studies of modulated Hamiltonian systems are currently performed.

CACS: Master Textbook List Helps Solve On-Going Problem.

ERIC Educational Resources Information Center

Anderson, Robert

1979-01-01

The use of a master textbook list developed by the Southern California Association of College Stores (CACS) is described. The three-part program is explained and the information assimilation process, format for revising lists, procedures for implementation, and general guidelines are among areas covered. (PHR)

Soldadura (Welding). Spanish Translations for Welding.

ERIC Educational Resources Information Center

Hohhertz, Durwin

Thirty transparency masters with Spanish subtitles for key words are provided for a welding/general mechanical repair course. The transparency masters are on such topics as oxyacetylene welding; oxyacetylene welding equipment; welding safety; different types of welds; braze welding; cutting torches; cutting with a torch; protective equipment; arc…

Microscopic theory of energy dissipation and decoherence in open systems: A quantum Fermi's golden rule

NASA Astrophysics Data System (ADS)

Taj, D.; Iotti, R. C.; Rossi, F.

2009-11-01

We shall revisit the conventional adiabatic or Markov approximation, which — contrary to the semiclassical case- does not preserve the positive-definite character of the corresponding density matrix, thus leading to highly non-physical results. To overcome this serious limitation, originally addressed by Davies and co-workers almost three decades ago, we shall propose an alternative more general adiabatic procedure, able to provide a reliable/robust treatment of energy-dissipation and dephasing processes in electronic quantum devices. Unlike standard master-equation formulations, our procedure guarantees a positive evolution for a variety of physical subsystem (including the common partial trace), and quantum scattering rates are well defined even for subsystems with internal structure/ continuous energy spectrum. We shall compare the proposed Markov dissipation model with the conventional one also through basic simulations of energy-relaxation versus decoherence channels in prototypical semiconductor nanodevices.

Performance of Continuous Quantum Thermal Devices Indirectly Connected to Environments

NASA Astrophysics Data System (ADS)

González, J.; Alonso, Daniel; Palao, José

2016-04-01

A general quantum thermodynamics network is composed of thermal devices connected to the environments through quantum wires. The coupling between the devices and the wires may introduce additional decay channels which modify the system performance with respect to the directly-coupled device. We analyze this effect in a quantum three-level device connected to a heat bath or to a work source through a two-level wire. The steady state heat currents are decomposed into the contributions of the set of simple circuits in the graph representing the master equation. Each circuit is associated with a mechanism in the device operation and the system performance can be described by a small number of circuit representatives of those mechanisms. Although in the limit of weak coupling between the device and the wire the new irreversible contributions can become small, they prevent the system from reaching the Carnot efficiency.

Numerical simulation of photocurrent generation in bilayer organic solar cells: Comparison of master equation and kinetic Monte Carlo approaches

NASA Astrophysics Data System (ADS)

Casalegno, Mosè; Bernardi, Andrea; Raos, Guido

2013-07-01

Numerical approaches can provide useful information about the microscopic processes underlying photocurrent generation in organic solar cells (OSCs). Among them, the Kinetic Monte Carlo (KMC) method is conceptually the simplest, but computationally the most intensive. A less demanding alternative is potentially represented by so-called Master Equation (ME) approaches, where the equations describing particle dynamics rely on the mean-field approximation and their solution is attained numerically, rather than stochastically. The description of charge separation dynamics, the treatment of electrostatic interactions and numerical stability are some of the key issues which have prevented the application of these methods to OSC modelling, despite of their successes in the study of charge transport in disordered system. Here we describe a three-dimensional ME approach to photocurrent generation in OSCs which attempts to deal with these issues. The reliability of the proposed method is tested against reference KMC simulations on bilayer heterojunction solar cells. Comparison of the current-voltage curves shows that the model well approximates the exact result for most devices. The largest deviations in current densities are mainly due to the adoption of the mean-field approximation for electrostatic interactions. The presence of deep traps, in devices characterized by strong energy disorder, may also affect result quality. Comparison of the simulation times reveals that the ME algorithm runs, on the average, one order of magnitude faster than KMC.

Photographic copy of drawing by Modjeski and Masters, Engineers of ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

Photographic copy of drawing by Modjeski and Masters, Engineers of the proposed Huey P. Long Bridge Widening. Original drawing located in the office of Modjeski and Masters, Consulting Engineers at 1055 St. Charles Avenue, New Orleans, LA. 70130. MAY 13, 2005 DRAWING OF THE PROPOSED HUEY P. LONG BRIDGE WIDENING, U.S. 90, MAIN BRIDGE SUBSTRUCTURE, SHOWING GENERAL PLAN AND ELEVATION. - Huey P. Long Bridge, Spanning Mississippi River approximately midway between nine & twelve mile points upstream from & west of New Orleans, Jefferson, Jefferson Parish, LA

Synchronization of chaotic systems involving fractional operators of Liouville-Caputo type with variable-order

NASA Astrophysics Data System (ADS)

Coronel-Escamilla, A.; Gómez-Aguilar, J. F.; Torres, L.; Escobar-Jiménez, R. F.; Valtierra-Rodríguez, M.

2017-12-01

In this paper, we propose a state-observer-based approach to synchronize variable-order fractional (VOF) chaotic systems. In particular, this work is focused on complete synchronization with a so-called unidirectional master-slave topology. The master is described by a dynamical system in state-space representation whereas the slave is described by a state observer. The slave is composed of a master copy and a correction term which in turn is constituted of an estimation error and an appropriate gain that assures the synchronization. The differential equations of the VOF chaotic system are described by the Liouville-Caputo and Atangana-Baleanu-Caputo derivatives. Numerical simulations involving the synchronization of Rössler oscillators, Chua's systems and multi-scrolls are studied. The simulations show that different chaotic behaviors can be obtained if different smooths functions defined in the interval (0 , 1 ] are used as the variable order of the fractional derivatives. Furthermore, simulations show that the VOF chaotic systems can be synchronized.

The weak coupling limit as a quantum functional central limit

NASA Astrophysics Data System (ADS)

Accardi, L.; Frigerio, A.; Lu, Y. G.

1990-08-01

We show that, in the weak coupling limit, the laser model process converges weakly in the sense of the matrix elements to a quantum diffusion whose equation is explicitly obtained. We prove convergence, in the same sense, of the Heisenberg evolution of an observable of the system to the solution of a quantum Langevin equation. As a corollary of this result, via the quantum Feynman-Kac technique, one can recover previous results on the quantum master equation for reduced evolutions of open systems. When applied to some particular model (e.g. the free Boson gas) our results allow to interpret the Lamb shift as an Ito correction term and to express the pumping rates in terms of quantities related to the original Hamiltonian model.

46 CFR 131.545 - Maintenance in general.

Code of Federal Regulations, 2010 CFR

2010-10-01

... points with the recommended lubricants. (5) A list of replaceable parts. (6) A list of sources of spare parts. (7) A log for records of inspections, maintenance, and repair. (b) The master shall ensure that... test in subchapter Q of this chapter. (g) The master shall report each emergency repair or alteration...

47 CFR 42.4 - Index of records.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 47 Telecommunication 3 2010-10-01 2010-10-01 false Index of records. 42.4 Section 42.4... RECORDS OF COMMUNICATION COMMON CARRIERS General Instructions § 42.4 Index of records. Each carrier shall maintain at its operating company headquarters a master index of records. The master index shall identify...

48 CFR 53.106 - Special construction and printing.

Code of Federal Regulations, 2010 CFR

2010-10-01

... (CONTINUED) CLAUSES AND FORMS FORMS General 53.106 Special construction and printing. Contracting offices may... vertical lines omitted (for listing of supplies and services, unit, etc.); (2) As reproducible masters; and... reproducible masters. (c) SF 44— (1) With serial numbers and contracting office name and address; and/or (2) On...

A Short History of the Movies. Second Edition.

ERIC Educational Resources Information Center

Mast, Gerald

This second edition of "A Short History of the Movies" includes expanded information and judgments about some of the "old masters" of film; an updated discussion of the "new masters"; and new sections on Japanese, Indian, and Czech cinema. In general, this history reveals significant trends in film history. American…

Theory and modeling of atmospheric turbulence, part 1

NASA Technical Reports Server (NTRS)

1984-01-01

The cascade transfer which is the only function to describe the mode coupling as the result of the nonlinear hydrodynamic state of turbulence is discussed. A kinetic theory combined with a scaling procedure was developed. The transfer function governs the non-linear mode coupling in strong turbulence. The master equation is consistent with the hydrodynamical system that describes the microdynamic state of turbulence and has the advantages to be homogeneous and have fewer nonlinear terms. The modes are scaled into groups to decipher the governing transport processes and statistical characteristics. An equation of vorticity transport describes the microdynamic state of two dimensional, isotropic and homogeneous, geostrophic turbulence. The equation of evolution of the macrovorticity is derived from group scaling in the form of the Fokker-Planck equation with memory. The microdynamic state of turbulence is transformed into the Liouville equation to derive the kinetic equation of the singlet distribution in turbulence. The collision integral contains a memory, which is analyzed with pair collision and the multiple collision. Two other kinetic equations are developed in parallel for the propagator and the transition probability for the interaction among the groups.

Model-free adaptive sliding mode controller design for generalized projective synchronization of the fractional-order chaotic system via radial basis function neural networks

NASA Astrophysics Data System (ADS)

Wang, L. M.

2017-09-01

A novel model-free adaptive sliding mode strategy is proposed for a generalized projective synchronization (GPS) between two entirely unknown fractional-order chaotic systems subject to the external disturbances. To solve the difficulties from the little knowledge about the master-slave system and to overcome the bad effects of the external disturbances on the generalized projective synchronization, the radial basis function neural networks are used to approach the packaged unknown master system and the packaged unknown slave system (including the external disturbances). Consequently, based on the slide mode technology and the neural network theory, a model-free adaptive sliding mode controller is designed to guarantee asymptotic stability of the generalized projective synchronization error. The main contribution of this paper is that a control strategy is provided for the generalized projective synchronization between two entirely unknown fractional-order chaotic systems subject to the unknown external disturbances, and the proposed control strategy only requires that the master system has the same fractional orders as the slave system. Moreover, the proposed method allows us to achieve all kinds of generalized projective chaos synchronizations by turning the user-defined parameters onto the desired values. Simulation results show the effectiveness of the proposed method and the robustness of the controlled system.

Factors Affecting Perceived Learning, Satisfaction, and Quality in the Online MBA: A Structural Equation Modeling Approach

ERIC Educational Resources Information Center

Sebastianelli, Rose; Swift, Caroline; Tamimi, Nabil

2015-01-01

The authors examined how six factors related to content and interaction affect students' perceptions of learning, satisfaction, and quality in online master of business administration (MBA) courses. They developed three scale items to measure each factor. Using survey data from MBA students at a private university, the authors estimated structural…

When is four far more than three? Children's generalization of newly acquired number words.

PubMed

Huang, Yi Ting; Spelke, Elizabeth; Snedeker, Jesse

2010-04-01

What is the relationship between children's first number words and number concepts? We used training tasks to explore children's interpretation of number words as they acquired the words' meanings. Children who had mastered the meanings of only the first two or three number words were systematically provided with varied input on the next word-to-quantity mapping, and their extension of the newly trained word was assessed across a variety of test items. Children who had already mastered number words to three generalized training on four to new objects and nouns, such that their representation of the newly learned number was approximate. In contrast, children who had mastered only one and two learned to apply three reliably within a single count-noun context (e.g., three dogs), but did not generalize training to new objects labeled with different nouns (e.g., three cows). Both findings suggest that children fail to map newly learned words in their counting routine to the fully abstract concepts of natural numbers.

Design of a monitor and simulation terminal (master) for space station telerobotics and telescience

NASA Technical Reports Server (NTRS)

Lopez, L.; Konkel, C.; Harmon, P.; King, S.

1989-01-01

Based on Space Station and planetary spacecraft communication time delays and bandwidth limitations, it will be necessary to develop an intelligent, general purpose ground monitor terminal capable of sophisticated data display and control of on-orbit facilities and remote spacecraft. The basic elements that make up a Monitor and Simulation Terminal (MASTER) include computer overlay video, data compression, forward simulation, mission resource optimization and high level robotic control. Hardware and software elements of a MASTER are being assembled for testbed use. Applications of Neural Networks (NNs) to some key functions of a MASTER are also discussed. These functions are overlay graphics adjustment, object correlation and kinematic-dynamic characterization of the manipulator.

Robust master-slave synchronization for general uncertain delayed dynamical model based on adaptive control scheme.

PubMed

Wang, Tianbo; Zhou, Wuneng; Zhao, Shouwei; Yu, Weiqin

2014-03-01

In this paper, the robust exponential synchronization problem for a class of uncertain delayed master-slave dynamical system is investigated by using the adaptive control method. Different from some existing master-slave models, the considered master-slave system includes bounded unmodeled dynamics. In order to compensate the effect of unmodeled dynamics and effectively achieve synchronization, a novel adaptive controller with simple updated laws is proposed. Moreover, the results are given in terms of LMIs, which can be easily solved by LMI Toolbox in Matlab. A numerical example is given to illustrate the effectiveness of the method. Copyright © 2013 ISA. Published by Elsevier Ltd. All rights reserved.

The Composition of the Master Schedule

NASA Technical Reports Server (NTRS)

Thomas, Cynthia C.; Behrend, Dirk; MacMillan, Daniel S.

2010-01-01

Over a period of about four months, the IVS Coordinating Center (IVSCC) each year composes the Master Schedule for the IVS observing program of the next calendar year. The process begins in early July when the IVSCC contacts the IVS Network Stations to request information about available station time as well as holiday and maintenance schedules for the upcoming year. Going through various planning stages and a review process with the IVS Observing Program Committee (OPC), the final version of the Master Schedule is posted by early November. We describe the general steps of the composition and illustrate them with the example of the planning for the Master Schedule of the 2010 observing year.

Excitation of turbulence by density waves

NASA Technical Reports Server (NTRS)

Tichen, C. M.

1985-01-01

A nonlinear system describes the microdynamical state of turbulence that is excited by density waves. It consists of an equation of propagation and a master equation. A group-scaling generates the scaled equations of many interacting groups of distribution functions. The two leading groups govern the transport processes of evolution and eddy diffusivity. The remaining sub-groups represent the relaxation for the approach of diffusivity to equilibrium. In strong turbulence, the sub-groups disperse themselves and the ensemble acts like a medium that offers an effective damping to close the hierarchy. The kinetic equation of turbulence is derived. It calculates the eddy viscosity and identifies the effective damping of the assumed medium self-consistently. It formulates the coupling mechanism for the intensification of the turbulent energy at the expense of the wave energy, and the transfer mechanism for the cascade. The spectra of velocity and density fluctuations find the power law k sup-2 and k sup-4, respectively.

21 CFR 225.102 - Master record file and production records.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 21 Food and Drugs 4 2012-04-01 2012-04-01 false Master record file and production records. 225.102 Section 225.102 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) DRUGS: GENERAL CURRENT GOOD MANUFACTURING PRACTICE FOR MEDICATED FEEDS Records and Reports § 225...

21 CFR 225.102 - Master record file and production records.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 21 Food and Drugs 4 2014-04-01 2014-04-01 false Master record file and production records. 225.102 Section 225.102 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) DRUGS: GENERAL CURRENT GOOD MANUFACTURING PRACTICE FOR MEDICATED FEEDS Records and Reports § 225...

21 CFR 225.102 - Master record file and production records.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 21 Food and Drugs 4 2011-04-01 2011-04-01 false Master record file and production records. 225.102 Section 225.102 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) DRUGS: GENERAL CURRENT GOOD MANUFACTURING PRACTICE FOR MEDICATED FEEDS Records and Reports § 225...

21 CFR 225.102 - Master record file and production records.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 21 Food and Drugs 4 2013-04-01 2013-04-01 false Master record file and production records. 225.102 Section 225.102 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) DRUGS: GENERAL CURRENT GOOD MANUFACTURING PRACTICE FOR MEDICATED FEEDS Records and Reports § 225...

21 CFR 225.102 - Master record file and production records.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 21 Food and Drugs 4 2010-04-01 2010-04-01 false Master record file and production records. 225.102 Section 225.102 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) DRUGS: GENERAL CURRENT GOOD MANUFACTURING PRACTICE FOR MEDICATED FEEDS Records and Reports § 225...

Master of Military Art and Science (MMAS) Research and Thesis.

ERIC Educational Resources Information Center

Army Command and General Staff Coll., Fort Leavenworth, KS.

This document describes the requirements for the degree of Master of Military Art and Science (MMAS) at the United States Army Command and General Staff College (CGSC), Fort Leavenworth, Kansas. Chapter one outlines program requirements for the MMAS, discusses the place of research at CGSC, describes research requirements for the MMAS, and…

Two-loop integrals for CP-even heavy quarkonium production and decays: elliptic sectors

NASA Astrophysics Data System (ADS)

Chen, Long-Bin; Jiang, Jun; Qiao, Cong-Feng

2018-04-01

By employing the differential equations, we compute analytically the elliptic sectors of two-loop master integrals appearing in the NNLO QCD corrections to CP-even heavy quarkonium exclusive production and decays, which turns out to be the last and toughest part in the relevant calculation. The integrals are found can be expressed as Goncharov polylogarithms and iterative integrals over elliptic functions. The master integrals may be applied to some other NNLO QCD calculations about heavy quarkonium exclusive production, like {γ}^{\\ast}γ \\to Q\\overline{Q} , {e}+{e}-\\to γ +Q\\overline{Q} , and H/{Z}^0\\to γ +Q\\overline{Q} , heavy quarkonium exclusive decays, and also the CP-even heavy quarkonium inclusive production and decays.

Potential and flux field landscape theory. I. Global stability and dynamics of spatially dependent non-equilibrium systems.

PubMed

Wu, Wei; Wang, Jin

2013-09-28

We established a potential and flux field landscape theory to quantify the global stability and dynamics of general spatially dependent non-equilibrium deterministic and stochastic systems. We extended our potential and flux landscape theory for spatially independent non-equilibrium stochastic systems described by Fokker-Planck equations to spatially dependent stochastic systems governed by general functional Fokker-Planck equations as well as functional Kramers-Moyal equations derived from master equations. Our general theory is applied to reaction-diffusion systems. For equilibrium spatially dependent systems with detailed balance, the potential field landscape alone, defined in terms of the steady state probability distribution functional, determines the global stability and dynamics of the system. The global stability of the system is closely related to the topography of the potential field landscape in terms of the basins of attraction and barrier heights in the field configuration state space. The effective driving force of the system is generated by the functional gradient of the potential field alone. For non-equilibrium spatially dependent systems, the curl probability flux field is indispensable in breaking detailed balance and creating non-equilibrium condition for the system. A complete characterization of the non-equilibrium dynamics of the spatially dependent system requires both the potential field and the curl probability flux field. While the non-equilibrium potential field landscape attracts the system down along the functional gradient similar to an electron moving in an electric field, the non-equilibrium flux field drives the system in a curly way similar to an electron moving in a magnetic field. In the small fluctuation limit, the intrinsic potential field as the small fluctuation limit of the potential field for spatially dependent non-equilibrium systems, which is closely related to the steady state probability distribution functional, is found to be a Lyapunov functional of the deterministic spatially dependent system. Therefore, the intrinsic potential landscape can characterize the global stability of the deterministic system. The relative entropy functional of the stochastic spatially dependent non-equilibrium system is found to be the Lyapunov functional of the stochastic dynamics of the system. Therefore, the relative entropy functional quantifies the global stability of the stochastic system with finite fluctuations. Our theory offers an alternative general approach to other field-theoretic techniques, to study the global stability and dynamics of spatially dependent non-equilibrium field systems. It can be applied to many physical, chemical, and biological spatially dependent non-equilibrium systems.

Wheeled Pro(p)file of Batalin-Vilkovisky Formalism

NASA Astrophysics Data System (ADS)

Merkulov, S. A.

2010-05-01

Using a technique of wheeled props we establish a correspondence between the homotopy theory of unimodular Lie 1-bialgebras and the famous Batalin-Vilkovisky formalism. Solutions of the so-called quantum master equation satisfying certain boundary conditions are proven to be in 1-1 correspondence with representations of a wheeled dg prop which, on the one hand, is isomorphic to the cobar construction of the prop of unimodular Lie 1-bialgebras and, on the other hand, is quasi-isomorphic to the dg wheeled prop of unimodular Poisson structures. These results allow us to apply properadic methods for computing formulae for a homotopy transfer of a unimodular Lie 1-bialgebra structure on an arbitrary complex to the associated quantum master function on its cohomology. It is proven that in the category of quantum BV manifolds associated with the homotopy theory of unimodular Lie 1-bialgebras quasi-isomorphisms are equivalence relations. It is shown that Losev-Mnev’s BF theory for unimodular Lie algebras can be naturally extended to the case of unimodular Lie 1-bialgebras (and, eventually, to the case of unimodular Poisson structures). Using a finite-dimensional version of the Batalin-Vilkovisky quantization formalism it is rigorously proven that the Feynman integrals computing the effective action of this new BF theory describe precisely homotopy transfer formulae obtained within the wheeled properadic approach to the quantum master equation. Quantum corrections (which are present in our BF model to all orders of the Planck constant) correspond precisely to what are often called “higher Massey products” in the homological algebra.

Exact renormalization group in Batalin-Vilkovisky theory

NASA Astrophysics Data System (ADS)

Zucchini, Roberto

2018-03-01

In this paper, inspired by the Costello's seminal work [11], we present a general formulation of exact renormalization group (RG) within the Batalin-Vilkovisky (BV) quantization scheme. In the spirit of effective field theory, the BV bracket and Laplacian structure as well as the BV effective action (EA) depend on an effective energy scale. The BV EA at a certain scale satisfies the BV quantum master equation at that scale. The RG flow of the EA is implemented by BV canonical maps intertwining the BV structures at different scales. Infinitesimally, this generates the BV exact renormalization group equation (RGE). We show that BV RG theory can be extended by augmenting the scale parameter space R to its shifted tangent bundle T [1]ℝ. The extra odd direction in scale space allows for a BV RG supersymmetry that constrains the structure of the BV RGE bringing it to Polchinski's form [6]. We investigate the implications of BV RG supersymmetry in perturbation theory. Finally, we illustrate our findings by constructing free models of BV RG flow and EA exhibiting RG supersymmetry in the degree -1 symplectic framework and studying the perturbation theory thereof. We find in particular that the odd partner of effective action describes perturbatively the deviation of the interacting RG flow from its free counterpart.

Identical synchronization of nonidentical oscillators: when only birds of different feathers flock together

NASA Astrophysics Data System (ADS)

Zhang, Yuanzhao; Motter, Adilson E.

2018-01-01

An outstanding problem in the study of networks of heterogeneous dynamical units concerns the development of rigorous methods to probe the stability of synchronous states when the differences between the units are not small. Here, we address this problem by presenting a generalization of the master stability formalism that can be applied to heterogeneous oscillators with large mismatches. Our approach is based on the simultaneous block diagonalization of the matrix terms in the variational equation, and it leads to dimension reduction that simplifies the original equation significantly. This new formalism allows the systematic investigation of scenarios in which the oscillators need to be nonidentical in order to reach an identical state, where all oscillators are completely synchronized. In the case of networks of identically coupled oscillators, this corresponds to breaking the symmetry of the system as a means to preserve the symmetry of the dynamical state— a recently discovered effect termed asymmetry-induced synchronization (AISync). Our framework enables us to identify communication delay as a new and potentially common mechanism giving rise to AISync, which we demonstrate using networks of delay-coupled Stuart-Landau oscillators. The results also have potential implications for control, as they reveal oscillator heterogeneity as an attribute that may be manipulated to enhance the stability of synchronous states.

Relation between random walks and quantum walks

NASA Astrophysics Data System (ADS)

Boettcher, Stefan; Falkner, Stefan; Portugal, Renato

2015-05-01

Based on studies of four specific networks, we conjecture a general relation between the walk dimensions dw of discrete-time random walks and quantum walks with the (self-inverse) Grover coin. In each case, we find that dw of the quantum walk takes on exactly half the value found for the classical random walk on the same geometry. Since walks on homogeneous lattices satisfy this relation trivially, our results for heterogeneous networks suggest that such a relation holds irrespective of whether translational invariance is maintained or not. To develop our results, we extend the renormalization-group analysis (RG) of the stochastic master equation to one with a unitary propagator. As in the classical case, the solution ρ (x ,t ) in space and time of this quantum-walk equation exhibits a scaling collapse for a variable xdw/t in the weak limit, which defines dw and illuminates fundamental aspects of the walk dynamics, e.g., its mean-square displacement. We confirm the collapse for ρ (x ,t ) in each case with extensive numerical simulation. The exact values for dw themselves demonstrate that RG is a powerful complementary approach to study the asymptotics of quantum walks that weak-limit theorems have not been able to access, such as for systems lacking translational symmetries beyond simple trees.

[Virtual teaching (e-learning) in Pediatric Urology. Master and expert course programme].

PubMed

Miguélez-Lago, Carlos; López-Pereira, Pedro; de la Fuente-Madero, José Luis; Caparrós-Cayuela, Aurora

2015-01-01

Currently there is a need for specific training and special dedication to pediatric urology (PU). Nevertheless, we lack of a continuous education program, which must be specific and multidisciplinary. To create a complementary training program in PU with the following differential characteristics: 1) University postgraduate, 2) internationally accredited, 3) multidisciplinary, 4) theoretical and practical, 5) through virtual teaching, 6) with on-site support, 7) academically directed and mentored, 8) based on individual and group self learning, 9) with international faculty and alumni 10) objectively evaluable. We developed two original projects of virtual training courses with practices in PU, Master and Expert following the International University of Andalucía (UNIA) regulations and with the support of the Medical College of Malaga. The Master has a general content one year duration and will be repeated yearly. The Expert course has monographic character, half-year duration and will be repeated yearly with different topics. They are credited 60 and 30 ECTS credits respectively. The course has 3 parts well differentiated in objectives and development: 1. Virtual training 2. On-site hospital practices and, 3. Final work. The alumni answered a questionnaire to evaluate the master at the midpoint. The UNIA has considered viable and approved all 3 projects presented: I PU MASTER (2014-2015), II PU MASTER (2015-2016) and Expert Course on pediatric incontinence (2015-2016)First PU MASTER data.- Registration applications: 60 alumni. Admitted alumni 40; mean age 37 years; 8 nationalities, 57% Spanish, 43% Foreigners. Specialities: Urology 14(35%), Pediatric Surgery 24 (60%), Pediatrics (Pediatric nephrology 1), General Medicine 1. Mid term Master evaluation by the alumni (0-100). Difficulty 60. Quality of the topics 92; complementary materials 90; faculty 90; UNIA virtual Campus 89. The demand of registrations demonstrates the need and interest of a pediatric Urology training program, through Master and Expert Courses. Virtual Training, e-learning, within the Virtual Campus of the UNIA is viable. This self-learning model is being highly valued by the international alumni. We offer an interesting supplement for continuous education in PU.

From quantum stochastic differential equations to Gisin-Percival state diffusion

NASA Astrophysics Data System (ADS)

Parthasarathy, K. R.; Usha Devi, A. R.

2017-08-01

Starting from the quantum stochastic differential equations of Hudson and Parthasarathy [Commun. Math. Phys. 93, 301 (1984)] and exploiting the Wiener-Itô-Segal isomorphism between the boson Fock reservoir space Γ (L2(R+ ) ⊗(Cn⊕Cn ) ) and the Hilbert space L2(μ ) , where μ is the Wiener probability measure of a complex n-dimensional vector-valued standard Brownian motion {B (t ) ,t ≥0 } , we derive a non-linear stochastic Schrödinger equation describing a classical diffusion of states of a quantum system, driven by the Brownian motion B. Changing this Brownian motion by an appropriate Girsanov transformation, we arrive at the Gisin-Percival state diffusion equation [N. Gisin and J. Percival, J. Phys. A 167, 315 (1992)]. This approach also yields an explicit solution of the Gisin-Percival equation, in terms of the Hudson-Parthasarathy unitary process and a randomized Weyl displacement process. Irreversible dynamics of system density operators described by the well-known Gorini-Kossakowski-Sudarshan-Lindblad master equation is unraveled by coarse-graining over the Gisin-Percival quantum state trajectories.

Precision of a CAD/CAM technique for the production of zirconium dioxide copings.

PubMed

Coli, Pierluigi; Karlsson, Stig

2004-01-01

The precision of a computer-aided design/manufacturing (CAD/CAM) system to manufacture zirconium dioxide copings with a predetermined internal space was investigated. Two master models were produced in acrylic resin. One was directly scanned by the Decim Reader. The Decim Producer then manufactured 10 copings from prefabricated zirconium dioxide blocks. Five copings were prepared, aiming for an internal space to the master of 45 microm. The other five copings were prepared for an internal space of 90 microm. The second test model was used to try in the copings produced. The obtained internal space of the ceramic copings was evaluated by separate measurements of the master models and inner surfaces of the copings. The master models were measured at predetermined points with an optical instrument. The zirconium dioxide copings were measured with a contact instrument at the corresponding sites measured in the masters. The first group of copings had a mean internal space to the scanned master of 41 microm and of 53 microm to the try-in master. In general, the internal space along the axial walls of the masters was smaller than that along the occlusal walls. The second group had a mean internal space of 82 microm to the scanned master and of 90 microm to the try-in master. The aimed-for internal space of the copings was achieved by the manufacturer. The CAD/CAM technique tested provided high precision in the manufacture of zirconium dioxide copings.

Intrinsic noise analyzer: a software package for the exploration of stochastic biochemical kinetics using the system size expansion.

PubMed

Thomas, Philipp; Matuschek, Hannes; Grima, Ramon

2012-01-01

The accepted stochastic descriptions of biochemical dynamics under well-mixed conditions are given by the Chemical Master Equation and the Stochastic Simulation Algorithm, which are equivalent. The latter is a Monte-Carlo method, which, despite enjoying broad availability in a large number of existing software packages, is computationally expensive due to the huge amounts of ensemble averaging required for obtaining accurate statistical information. The former is a set of coupled differential-difference equations for the probability of the system being in any one of the possible mesoscopic states; these equations are typically computationally intractable because of the inherently large state space. Here we introduce the software package intrinsic Noise Analyzer (iNA), which allows for systematic analysis of stochastic biochemical kinetics by means of van Kampen's system size expansion of the Chemical Master Equation. iNA is platform independent and supports the popular SBML format natively. The present implementation is the first to adopt a complementary approach that combines state-of-the-art analysis tools using the computer algebra system Ginac with traditional methods of stochastic simulation. iNA integrates two approximation methods based on the system size expansion, the Linear Noise Approximation and effective mesoscopic rate equations, which to-date have not been available to non-expert users, into an easy-to-use graphical user interface. In particular, the present methods allow for quick approximate analysis of time-dependent mean concentrations, variances, covariances and correlations coefficients, which typically outperforms stochastic simulations. These analytical tools are complemented by automated multi-core stochastic simulations with direct statistical evaluation and visualization. We showcase iNA's performance by using it to explore the stochastic properties of cooperative and non-cooperative enzyme kinetics and a gene network associated with circadian rhythms. The software iNA is freely available as executable binaries for Linux, MacOSX and Microsoft Windows, as well as the full source code under an open source license.

Intrinsic Noise Analyzer: A Software Package for the Exploration of Stochastic Biochemical Kinetics Using the System Size Expansion

PubMed Central

Grima, Ramon

2012-01-01

The accepted stochastic descriptions of biochemical dynamics under well-mixed conditions are given by the Chemical Master Equation and the Stochastic Simulation Algorithm, which are equivalent. The latter is a Monte-Carlo method, which, despite enjoying broad availability in a large number of existing software packages, is computationally expensive due to the huge amounts of ensemble averaging required for obtaining accurate statistical information. The former is a set of coupled differential-difference equations for the probability of the system being in any one of the possible mesoscopic states; these equations are typically computationally intractable because of the inherently large state space. Here we introduce the software package intrinsic Noise Analyzer (iNA), which allows for systematic analysis of stochastic biochemical kinetics by means of van Kampen’s system size expansion of the Chemical Master Equation. iNA is platform independent and supports the popular SBML format natively. The present implementation is the first to adopt a complementary approach that combines state-of-the-art analysis tools using the computer algebra system Ginac with traditional methods of stochastic simulation. iNA integrates two approximation methods based on the system size expansion, the Linear Noise Approximation and effective mesoscopic rate equations, which to-date have not been available to non-expert users, into an easy-to-use graphical user interface. In particular, the present methods allow for quick approximate analysis of time-dependent mean concentrations, variances, covariances and correlations coefficients, which typically outperforms stochastic simulations. These analytical tools are complemented by automated multi-core stochastic simulations with direct statistical evaluation and visualization. We showcase iNA’s performance by using it to explore the stochastic properties of cooperative and non-cooperative enzyme kinetics and a gene network associated with circadian rhythms. The software iNA is freely available as executable binaries for Linux, MacOSX and Microsoft Windows, as well as the full source code under an open source license. PMID:22723865

A Combination of Teacher-Led Assessment and Self-Assessment Drives the Learning Process in Online Master Degree in Transplantation

ERIC Educational Resources Information Center

Halawa, Ahmed; Sharma, Ajay; Bridson, Julie M.; Lyon, Sarah; Prescott, Denise; Guha, Arpan; Taylor, David

2017-01-01

Background: Good performance in a summative assessment does not always equate to educational gain following a course. An educational programme may focus on improving student's performance on a particular test instrument. For example, practicing multiple choice questions may lead to mastery of the instrument itself rather than testing the knowledge…

Evidence for the Effectiveness of Inquiry-Based, Particulate-Level Instruction on Conceptions of the Particulate Nature of Matter

ERIC Educational Resources Information Center

Bridle, Chad A.; Yezierski, Ellen J.

2012-01-01

Research has shown that students in traditional college-preparatory chemistry courses become masters of mathematical equations without an understanding of the conceptual basis for the mathematical relationships. This problem is rooted not only in what curriculum is presented to students, but also in how it is experienced by the students. Ample…

Computational methods for diffusion-influenced biochemical reactions.

PubMed

Dobrzynski, Maciej; Rodríguez, Jordi Vidal; Kaandorp, Jaap A; Blom, Joke G

2007-08-01

We compare stochastic computational methods accounting for space and discrete nature of reactants in biochemical systems. Implementations based on Brownian dynamics (BD) and the reaction-diffusion master equation are applied to a simplified gene expression model and to a signal transduction pathway in Escherichia coli. In the regime where the number of molecules is small and reactions are diffusion-limited predicted fluctuations in the product number vary between the methods, while the average is the same. Computational approaches at the level of the reaction-diffusion master equation compute the same fluctuations as the reference result obtained from the particle-based method if the size of the sub-volumes is comparable to the diameter of reactants. Using numerical simulations of reversible binding of a pair of molecules we argue that the disagreement in predicted fluctuations is due to different modeling of inter-arrival times between reaction events. Simulations for a more complex biological study show that the different approaches lead to different results due to modeling issues. Finally, we present the physical assumptions behind the mesoscopic models for the reaction-diffusion systems. Input files for the simulations and the source code of GMP can be found under the following address: http://www.cwi.nl/projects/sic/bioinformatics2007/

Mechanisms of stochastic focusing and defocusing in biological reaction networks: insight from accurate chemical master equation (ACME) solutions.

PubMed

Gursoy, Gamze; Terebus, Anna; Youfang Cao; Jie Liang

2016-08-01

Stochasticity plays important roles in regulation of biochemical reaction networks when the copy numbers of molecular species are small. Studies based on Stochastic Simulation Algorithm (SSA) has shown that a basic reaction system can display stochastic focusing (SF) by increasing the sensitivity of the network as a result of the signal noise. Although SSA has been widely used to study stochastic networks, it is ineffective in examining rare events and this becomes a significant issue when the tails of probability distributions are relevant as is the case of SF. Here we use the ACME method to solve the exact solution of the discrete Chemical Master Equations and to study a network where SF was reported. We showed that the level of SF depends on the degree of the fluctuations of signal molecule. We discovered that signaling noise under certain conditions in the same reaction network can lead to a decrease in the system sensitivities, thus the network can experience stochastic defocusing. These results highlight the fundamental role of stochasticity in biological reaction networks and the need for exact computation of probability landscape of the molecules in the system.

Stochastic thermodynamics and entropy production of chemical reaction systems

NASA Astrophysics Data System (ADS)

Tomé, Tânia; de Oliveira, Mário J.

2018-06-01

We investigate the nonequilibrium stationary states of systems consisting of chemical reactions among molecules of several chemical species. To this end, we introduce and develop a stochastic formulation of nonequilibrium thermodynamics of chemical reaction systems based on a master equation defined on the space of microscopic chemical states and on appropriate definitions of entropy and entropy production. The system is in contact with a heat reservoir and is placed out of equilibrium by the contact with particle reservoirs. In our approach, the fluxes of various types, such as the heat and particle fluxes, play a fundamental role in characterizing the nonequilibrium chemical state. We show that the rate of entropy production in the stationary nonequilibrium state is a bilinear form in the affinities and the fluxes of reaction, which are expressed in terms of rate constants and transition rates, respectively. We also show how the description in terms of microscopic states can be reduced to a description in terms of the numbers of particles of each species, from which follows the chemical master equation. As an example, we calculate the rate of entropy production of the first and second Schlögl reaction models.

ab initio calculation of the rate of vibrational relaxation and thermal dissociation of hydrogen by helium at high temperatures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dove, J.E.; Raynor, S.

The master equation for the thermal dissociation of para-H/sub 2/ infinitely dilute in He, was solved for temperatures of 1000 to 10,000/sup 0/K. Transition probabilities, used in the master equation, were obtained, in the case of energy transfer transitions, from distorted wave and quasi-classical trajectory calculations and, for dissociative processes, from trajectory calculations alone. An ab initio potential was used. From the solution, values of the dissociation rate constant, vibrational relaxation times, and incubation times for dissociation and vibrational relaxation were calculated. The sensitivity of the calculated results to variations in the transition probabilities was examined. Vibrational relaxation is mostmore » sensitive to simultaneous transitions in vibration and rotation (VRT processes); pure rotational (RT) transitions also have a substantial effect. Dissociation is most strongly affected by RT processes, but changes in VRT and groups of dissociative transitions also have a significant effect. However complete suppression of all dissociative transitions except those from levels immediately next to the continuum lowers the dissociation rates only by a factor of about 2. The location of the dissociation ''bottleneck'' is discussed. 5 figures, 3 tables.« less

Liouville master equation for multi-electron dynamics during ion-surface interactions

NASA Astrophysics Data System (ADS)

Wirtz, L.; Reinhold, C. O.; Lemell, C.; Burgdorfer, J.

2003-05-01

We present a simulation of the neutralization of highly charged ions in front of a LiF(100) surface including the close-collision regime above the surface. Our approach employs a Monte-Carlo solution of the Liouville master equation for the joint probability density of the ionic motion and the electronic population of the projectile and the target surface. It includes single as well as double particle-hole (de)excitation processes and incorporates electron correlation effects through the conditional dynamics of population strings. The input in terms of elementary one- and two-electron transfer rates is determined from CTMC calculations as well as quantum mechanical Auger calculations. For slow projectiles and normal incidence, the ionic motion depends sensitively on the interplay between image acceleration towards the surface and repulsion by an ensemble of positive hole charges in the surface (``trampoline effect"). For Ne10+ ions we find that image acceleration dominates and no collective backscattering high above the surface takes place. For grazing incidence, our simulation delineates the pathways to complete neutralization. In accordance with recent experimental observations, most ions are reflected as neutrals or even as singly charged negative particles, irrespective of the charge state of the incoming ion.

Analysis of the accuracy and precision of the McMaster method in detection of the eggs of Toxocara and Trichuris species (Nematoda) in dog faeces.

PubMed

Kochanowski, Maciej; Dabrowska, Joanna; Karamon, Jacek; Cencek, Tomasz; Osiński, Zbigniew

2013-07-01

The aim of this study was to determine the accuracy and precision of McMaster method with Raynaud's modification in the detection of the eggs of the nematodes Toxocara canis (Werner, 1782) and Trichuris ovis (Abildgaard, 1795) in faeces of dogs. Four variants of McMaster method were used for counting: in one grid, two grids, the whole McMaster chamber and flotation in the tube. One hundred sixty samples were prepared from dog faeces (20 repetitions for each egg quantity) containing 15, 25, 50, 100, 150, 200, 250 and 300 eggs of T. canis and T. ovis in 1 g of faeces. To compare the influence of kind of faeces on the results, samples of dog faeces were enriched at the same levels with the eggs of another nematode, Ascaris suum Goeze, 1782. In addition, 160 samples of pig faeces were prepared and enriched only with A. suum eggs in the same way. The highest limit of detection (the lowest level of eggs that were detected in at least 50% of repetitions) in all McMaster chamber variants were obtained for T. canis eggs (25-250 eggs/g faeces). In the variant with flotation in the tube, the highest limit of detection was obtained for T. ovis eggs (100 eggs/g). The best results of the limit of detection, sensitivity and the lowest coefficients of variation were obtained with the use of the whole McMaster chamber variant. There was no significant impact of properties of faeces on the obtained results. Multiplication factors for the whole chamber were calculated on the basis of the transformed equation of the regression line, illustrating the relationship between the number of detected eggs and that of the eggs added to the'sample. Multiplication factors calculated for T. canis and T. ovis eggs were higher than those expected using McMaster method with Raynaud modification.

Approximation and inference methods for stochastic biochemical kinetics—a tutorial review

NASA Astrophysics Data System (ADS)

Schnoerr, David; Sanguinetti, Guido; Grima, Ramon

2017-03-01

Stochastic fluctuations of molecule numbers are ubiquitous in biological systems. Important examples include gene expression and enzymatic processes in living cells. Such systems are typically modelled as chemical reaction networks whose dynamics are governed by the chemical master equation. Despite its simple structure, no analytic solutions to the chemical master equation are known for most systems. Moreover, stochastic simulations are computationally expensive, making systematic analysis and statistical inference a challenging task. Consequently, significant effort has been spent in recent decades on the development of efficient approximation and inference methods. This article gives an introduction to basic modelling concepts as well as an overview of state of the art methods. First, we motivate and introduce deterministic and stochastic methods for modelling chemical networks, and give an overview of simulation and exact solution methods. Next, we discuss several approximation methods, including the chemical Langevin equation, the system size expansion, moment closure approximations, time-scale separation approximations and hybrid methods. We discuss their various properties and review recent advances and remaining challenges for these methods. We present a comparison of several of these methods by means of a numerical case study and highlight some of their respective advantages and disadvantages. Finally, we discuss the problem of inference from experimental data in the Bayesian framework and review recent methods developed the literature. In summary, this review gives a self-contained introduction to modelling, approximations and inference methods for stochastic chemical kinetics.

The finite state projection algorithm for the solution of the chemical master equation.

PubMed

Munsky, Brian; Khammash, Mustafa

2006-01-28

This article introduces the finite state projection (FSP) method for use in the stochastic analysis of chemically reacting systems. One can describe the chemical populations of such systems with probability density vectors that evolve according to a set of linear ordinary differential equations known as the chemical master equation (CME). Unlike Monte Carlo methods such as the stochastic simulation algorithm (SSA) or tau leaping, the FSP directly solves or approximates the solution of the CME. If the CME describes a system that has a finite number of distinct population vectors, the FSP method provides an exact analytical solution. When an infinite or extremely large number of population variations is possible, the state space can be truncated, and the FSP method provides a certificate of accuracy for how closely the truncated space approximation matches the true solution. The proposed FSP algorithm systematically increases the projection space in order to meet prespecified tolerance in the total probability density error. For any system in which a sufficiently accurate FSP exists, the FSP algorithm is shown to converge in a finite number of steps. The FSP is utilized to solve two examples taken from the field of systems biology, and comparisons are made between the FSP, the SSA, and tau leaping algorithms. In both examples, the FSP outperforms the SSA in terms of accuracy as well as computational efficiency. Furthermore, due to very small molecular counts in these particular examples, the FSP also performs far more effectively than tau leaping methods.

Stochastic win-stay-lose-shift strategy with dynamic aspirations in evolutionary social dilemmas

NASA Astrophysics Data System (ADS)

Amaral, Marco A.; Wardil, Lucas; Perc, Matjaž; da Silva, Jafferson K. L.

2016-09-01

In times of plenty expectations rise, just as in times of crisis they fall. This can be mathematically described as a win-stay-lose-shift strategy with dynamic aspiration levels, where individuals aspire to be as wealthy as their average neighbor. Here we investigate this model in the realm of evolutionary social dilemmas on the square lattice and scale-free networks. By using the master equation and Monte Carlo simulations, we find that cooperators coexist with defectors in the whole phase diagram, even at high temptations to defect. We study the microscopic mechanism that is responsible for the striking persistence of cooperative behavior and find that cooperation spreads through second-order neighbors, rather than by means of network reciprocity that dominates in imitation-based models. For the square lattice the master equation can be solved analytically in the large temperature limit of the Fermi function, while for other cases the resulting differential equations must be solved numerically. Either way, we find good qualitative agreement with the Monte Carlo simulation results. Our analysis also reveals that the evolutionary outcomes are to a large degree independent of the network topology, including the number of neighbors that are considered for payoff determination on lattices, which further corroborates the local character of the microscopic dynamics. Unlike large-scale spatial patterns that typically emerge due to network reciprocity, here local checkerboard-like patterns remain virtually unaffected by differences in the macroscopic properties of the interaction network.

9 CFR 113.100 - General requirements for inactivated bacterial products.

Code of Federal Regulations, 2011 CFR

2011-01-01

... subserial shall be tested for viable bacteria and fungi as provided in § 113.26. (2) Each lot of Master Seed Bacteria shall be tested for the presence of extraneous viable bacteria and fungi in accordance with the... of Master Seed Bacteria to the genus and species level by laboratory tests shall be sufficient to...

9 CFR 113.100 - General requirements for inactivated bacterial products.

Code of Federal Regulations, 2010 CFR

2010-01-01

... subserial shall be tested for viable bacteria and fungi as provided in § 113.26. (2) Each lot of Master Seed Bacteria shall be tested for the presence of extraneous viable bacteria and fungi in accordance with the... of Master Seed Bacteria to the genus and species level by laboratory tests shall be sufficient to...

9 CFR 113.64 - General requirements for live bacterial vaccines.

Code of Federal Regulations, 2010 CFR

2010-01-01

... completed product from each serial and subserial, and samples of each lot of Master Seed Bacteria shall be tested for the presence of extraneous viable bacteria and fungi in accordance with the test provided in... samples of each lot of Master Seed Bacteria shall be tested for safety in young adult mice in accordance...

9 CFR 113.64 - General requirements for live bacterial vaccines.

Code of Federal Regulations, 2011 CFR

2011-01-01

... completed product from each serial and subserial, and samples of each lot of Master Seed Bacteria shall be tested for the presence of extraneous viable bacteria and fungi in accordance with the test provided in... samples of each lot of Master Seed Bacteria shall be tested for safety in young adult mice in accordance...

National Guard State Partnership Program: Measuring Effectiveness

DTIC Science & Technology

2013-06-14

and General Staff College in partial fulfillment of the requirements for the degree MASTER OF MILITARY ART AND SCIENCE Homeland Security...Form 298 (Rev. 8-98) Prescribed by ANSI Std. Z39.18 ii MASTER OF MILITARY ART AND SCIENCE THESIS APPROVAL PAGE Name of Candidate: MAJ Andrew O...OF MILITARY ART AND SCIENCE THESIS APPROVAL PAGE ............ iii ABSTRACT

MBA Online: Is Challenging Peer Work Motivating? Is It Mastered?

ERIC Educational Resources Information Center

Akhras, Caroline

2012-01-01

Deciding to go the extra mile to continue self-development does not necessarily mean learning to assimilate online technology into one's field of expertise though it has been found that general-purpose social networking sites are a popular venue for peer socialization where goals are shared, integrated, and mastered virtually. It has been found…

Forming Professional Mobility in the Process of Future Master Philologists' Training in Ukraine and Abroad

ERIC Educational Resources Information Center

Semenog, Olena

2016-01-01

On the basis of scientific research, the experience of higher education institutions in Ukraine and abroad (the USA, the Swiss Confederation) concerning the forming of future philologists' professional mobility in the process of Master training has been generalized. It has been overviewed, that professional mobility is an essential indicator of…

Relative Age Effect in Masters Sports: Replication and Extension

ERIC Educational Resources Information Center

Medic, Nikola; Starkes, Janet L.; Weir, Patricia L.; Young, Bradley W.; Grove, J. Robert

2009-01-01

The relative age effect refers to the performance-related advantage of being born early in a cohort or selection year. Until recently it was unknown whether the relative age effect generalizes across the lifespan. Medic, Starkes, and Young (2007) reasoned that the 5-year age categories that are widely used in masters-level sports to organize…

Factors in the Admissions Process Influencing Persistence in a Master's of Science Program in Marine Science

ERIC Educational Resources Information Center

Dore, Melissa L.

2017-01-01

This applied dissertation was conducted to provide the graduate program in marine sciences a valid predictor for success in the admissions scoring systems that include the general Graduate Record Exam. The dependent variable was persistence: successfully graduating from the marine sciences master's programs. This dissertation evaluated other…

A Work Force for Environment and Energy. A Master Plan for Environmental/Energy Higher Education in Illinois.

ERIC Educational Resources Information Center

Illinois Inst. for Environmental Quality, Chicago.

This master plan for environmental and energy higher education in Illinois is a direct result of a mandate from the Illinois General Assembly. To prepare students to confront our nation's environmental problems, each university will submit a management and development plan, designed to preserve existing environmental values and provide…

The Education of the Institution Boy: The Voorhis Vision of Progressive Education

ERIC Educational Resources Information Center

Stallones, Jared R.

2004-01-01

This article features the life and accomplishments of Horace Jeremiah Voorhis in the field of progressive education. Voorhis earned the first Master of Arts degree in Education awarded by the Claremont Graduate Schools after he submitted his master's thesis, "The Education of the Institution Boy: A General Outline of Policies for the Voorhis…

Superelement model based parallel algorithm for vehicle dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Agrawal, O.P.; Danhof, K.J.; Kumar, R.

1994-05-01

This paper presents a superelement model based parallel algorithm for a planar vehicle dynamics. The vehicle model is made up of a chassis and two suspension systems each of which consists of an axle-wheel assembly and two trailing arms. In this model, the chassis is treated as a Cartesian element and each suspension system is treated as a superelement. The parameters associated with the superelements are computed using an inverse dynamics technique. Suspension shock absorbers and the tires are modeled by nonlinear springs and dampers. The Euler-Lagrange approach is used to develop the system equations of motion. This leads tomore » a system of differential and algebraic equations in which the constraints internal to superelements appear only explicitly. The above formulation is implemented on a multiprocessor machine. The numerical flow chart is divided into modules and the computation of several modules is performed in parallel to gain computational efficiency. In this implementation, the master (parent processor) creates a pool of slaves (child processors) at the beginning of the program. The slaves remain in the pool until they are needed to perform certain tasks. Upon completion of a particular task, a slave returns to the pool. This improves the overall response time of the algorithm. The formulation presented is general which makes it attractive for a general purpose code development. Speedups obtained in the different modules of the dynamic analysis computation are also presented. Results show that the superelement model based parallel algorithm can significantly reduce the vehicle dynamics simulation time. 52 refs.« less

Chemical Continuous Time Random Walks

NASA Astrophysics Data System (ADS)

Aquino, T.; Dentz, M.

2017-12-01

Traditional methods for modeling solute transport through heterogeneous media employ Eulerian schemes to solve for solute concentration. More recently, Lagrangian methods have removed the need for spatial discretization through the use of Monte Carlo implementations of Langevin equations for solute particle motions. While there have been recent advances in modeling chemically reactive transport with recourse to Lagrangian methods, these remain less developed than their Eulerian counterparts, and many open problems such as efficient convergence and reconstruction of the concentration field remain. We explore a different avenue and consider the question: In heterogeneous chemically reactive systems, is it possible to describe the evolution of macroscopic reactant concentrations without explicitly resolving the spatial transport? Traditional Kinetic Monte Carlo methods, such as the Gillespie algorithm, model chemical reactions as random walks in particle number space, without the introduction of spatial coordinates. The inter-reaction times are exponentially distributed under the assumption that the system is well mixed. In real systems, transport limitations lead to incomplete mixing and decreased reaction efficiency. We introduce an arbitrary inter-reaction time distribution, which may account for the impact of incomplete mixing. This process defines an inhomogeneous continuous time random walk in particle number space, from which we derive a generalized chemical Master equation and formulate a generalized Gillespie algorithm. We then determine the modified chemical rate laws for different inter-reaction time distributions. We trace Michaelis-Menten-type kinetics back to finite-mean delay times, and predict time-nonlocal macroscopic reaction kinetics as a consequence of broadly distributed delays. Non-Markovian kinetics exhibit weak ergodicity breaking and show key features of reactions under local non-equilibrium.

Synchronized computational architecture for generalized bilateral control of robot arms

NASA Technical Reports Server (NTRS)

Szakaly, Zoltan F. (Inventor)

1991-01-01

A master six degree of freedom Force Reflecting Hand Controller (FRHC) is available at a master site where a received image displays, in essentially real time, a remote robotic manipulator which is being controlled in the corresponding six degree freedom by command signals which are transmitted to the remote site in accordance with the movement of the FRHC at the master site. Software is user-initiated at the master site in order to establish the basic system conditions, and then a physical movement of the FRHC in Cartesean space is reflected at the master site by six absolute numbers that are sensed, translated and computed as a difference signal relative to the earlier position. The change in position is then transmitted in that differential signal form over a high speed synchronized bilateral communication channel which simultaneously returns robot-sensed response information to the master site as forces applied to the FRHC so that the FRHC reflects the feel of what is taking place at the remote site. A system wide clock rate is selected at a sufficiently high rate that the operator at the master site experiences the Force Reflecting operation in real time.

Sensing cantilever beam bending by the optical lever technique and its application to surface stress.

PubMed

Evans, Drew R; Craig, Vincent S J

2006-03-23

Cantilever beams, both microscopic and macroscopic, are used as sensors in a great variety of applications. An optical lever system is commonly employed to determine the deflection and thereby the profile of the cantilever under load. The sensitivity of the optical lever must be calibrated, and this is usually achieved by application of a known load or deflection to the free end of the cantilever. When the sensing operation involves a different type of load or a combination of types of loadings, the calibration and the deflection values derived from it become invalid. Here we develop a master equation that permits the true deflection of the cantilever to be obtained simply from the measurement of the apparent deflection for uniformly distributed loadings and end-moment loadings. These loadings are relevant to the uniform adsorption or application of material to the cantilever or the application of a surface stress to the cantilever and should assist experimentalists using the optical lever, such as in the atomic force microscope, to measure cantilever deflections in a great variety of sensing applications. We then apply this treatment to the experimental evaluation of surface stress. Three forms of Stoney's equation that relate the apparent deflection to the surface stress, which is valid for both macroscopic and microscopic experiments, are derived. Analysis of the errors arising from incorrect modeling of the loading conditions of the cantilever currently applied in experiments is also presented. It is shown that the reported literature values for surface stress in microscopic experiments are typically 9% smaller than their true value. For macroscopic experiments, we demonstrate that the added mass of the film or coating generally dominates the measured deflection and must be accounted for accurately if surface stress measurements are to be made. Further, the reported measurements generally use a form of Stoney's equation that is in error, resulting in an overestimation of surface stress by a factor >5.

Wigner distribution function and entropy of the damped harmonic oscillator within the theory of the open quantum systems

NASA Technical Reports Server (NTRS)

Isar, Aurelian

1995-01-01

The harmonic oscillator with dissipation is studied within the framework of the Lindblad theory for open quantum systems. By using the Wang-Uhlenbeck method, the Fokker-Planck equation, obtained from the master equation for the density operator, is solved for the Wigner distribution function, subject to either the Gaussian type or the delta-function type of initial conditions. The obtained Wigner functions are two-dimensional Gaussians with different widths. Then a closed expression for the density operator is extracted. The entropy of the system is subsequently calculated and its temporal behavior shows that this quantity relaxes to its equilibrium value.

Modeling and numerical simulations of the influenced Sznajd model

NASA Astrophysics Data System (ADS)

Karan, Farshad Salimi Naneh; Srinivasan, Aravinda Ramakrishnan; Chakraborty, Subhadeep

2017-08-01

This paper investigates the effects of independent nonconformists or influencers on the behavioral dynamic of a population of agents interacting with each other based on the Sznajd model. The system is modeled on a complete graph using the master equation. The acquired equation has been numerically solved. Accuracy of the mathematical model and its corresponding assumptions have been validated by numerical simulations. Regions of initial magnetization have been found from where the system converges to one of two unique steady-state PDFs, depending on the distribution of influencers. The scaling property and entropy of the stationary system in presence of varying level of influence have been presented and discussed.

Modeling and numerical simulations of the influenced Sznajd model.

PubMed

Karan, Farshad Salimi Naneh; Srinivasan, Aravinda Ramakrishnan; Chakraborty, Subhadeep

2017-08-01

This paper investigates the effects of independent nonconformists or influencers on the behavioral dynamic of a population of agents interacting with each other based on the Sznajd model. The system is modeled on a complete graph using the master equation. The acquired equation has been numerically solved. Accuracy of the mathematical model and its corresponding assumptions have been validated by numerical simulations. Regions of initial magnetization have been found from where the system converges to one of two unique steady-state PDFs, depending on the distribution of influencers. The scaling property and entropy of the stationary system in presence of varying level of influence have been presented and discussed.

Spatial Stochastic Intracellular Kinetics: A Review of Modelling Approaches.

PubMed

Smith, Stephen; Grima, Ramon

2018-05-21

Models of chemical kinetics that incorporate both stochasticity and diffusion are an increasingly common tool for studying biology. The variety of competing models is vast, but two stand out by virtue of their popularity: the reaction-diffusion master equation and Brownian dynamics. In this review, we critically address a number of open questions surrounding these models: How can they be justified physically? How do they relate to each other? How do they fit into the wider landscape of chemical models, ranging from the rate equations to molecular dynamics? This review assumes no prior knowledge of modelling chemical kinetics and should be accessible to a wide range of readers.

Group-kinetic theory and modeling of atmospheric turbulence

NASA Technical Reports Server (NTRS)

Tchen, C. M.

1989-01-01

A group kinetic method is developed for analyzing eddy transport properties and relaxation to equilibrium. The purpose is to derive the spectral structure of turbulence in incompressible and compressible media. Of particular interest are: direct and inverse cascade, boundary layer turbulence, Rossby wave turbulence, two phase turbulence; compressible turbulence, and soliton turbulence. Soliton turbulence can be found in large scale turbulence, turbulence connected with surface gravity waves and nonlinear propagation of acoustical and optical waves. By letting the pressure gradient represent the elementary interaction among fluid elements and by raising the Navier-Stokes equation to higher dimensionality, the master equation was obtained for the description of the microdynamical state of turbulence.

New method for calculating a mathematical expression for streamflow recession

USGS Publications Warehouse

Rutledge, Albert T.

1991-01-01

An empirical method has been devised to calculate the master recession curve, which is a mathematical expression for streamflow recession during times of negligible direct runoff. The method is based on the assumption that the storage-delay factor, which is the time per log cycle of streamflow recession, varies linearly with the logarithm of streamflow. The resulting master recession curve can be nonlinear. The method can be executed by a computer program that reads a data file of daily mean streamflow, then allows the user to select several near-linear segments of streamflow recession. The storage-delay factor for each segment is one of the coefficients of the equation that results from linear least-squares regression. Using results for each recession segment, a mathematical expression of the storage-delay factor as a function of the log of streamflow is determined by linear least-squares regression. The master recession curve, which is a second-order polynomial expression for time as a function of log of streamflow, is then derived using the coefficients of this function.

Photographic copy of drawing by Modjeski and Masters, Engineers of ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

Photographic copy of drawing by Modjeski and Masters, Engineers of the proposed Huey P. Long Bridge Widening. Original drawing located in the office of Modjeski and Masters, Consulting Engineers at 1055 St. Charles Avenue, New Orleans, LA. 70130. MAY 13, 2005 DRAWING OF THE PROPOSED HUEY P. LONG BRIDGE WIDENING, U.S. 90, MAIN BRIDGE SUPERSTRUCTURE, SHOWING ELEVATION AND SECTIONS AT PIER I AND II AND GENERAL DETAILS – 1. - Huey P. Long Bridge, Spanning Mississippi River approximately midway between nine & twelve mile points upstream from & west of New Orleans, Jefferson, Jefferson Parish, LA

Effects of Work Environment on Transfer of Training: Empirical Evidence from Master of Business Administration Programs in Vietnam

ERIC Educational Resources Information Center

Pham, Nga T. P.; Segers, Mien S. R.; Gijselaers, Wim H.

2013-01-01

Practical application of newly gained knowledge and skills, also referred to as transfer of training, is an issue of great concern in training issues generally and in Master of Business Administration (MBA) programs particularly. This empirical study examined the influence of the trainees' work environment on their transfer of training, taking…

The Master of Fine Arts (MFA) in Creative Writing in the United States: Teaching the "Unteachable"

ERIC Educational Resources Information Center

Caglioti, Carla

2010-01-01

The Master of Fine Arts (MFA) in Creative Writing, usually housed within the English Department, has become a progressively more popular field of study among students and budget conscious administrators. But for all its popularity, it is a field that has been left generally unexamined by scholars. While there have been numerous scholarly studies…

Are Public Master's Institutions Cost Efficient? A Stochastic Frontier and Spatial Analysis

ERIC Educational Resources Information Center

Titus, Marvin A.; Vamosiu, Adriana; McClure, Kevin R.

2017-01-01

The current study examines costs, measured by educational and general (E&G) spending, and cost efficiency at 252 public master's institutions in the United States over a nine-year (2004-2012) period. We use a multi-product quadratic cost function and results from a random-effects model with a first-order autoregressive (AR1) disturbance term…

From master slave interferometry to complex master slave interferometry: theoretical work

NASA Astrophysics Data System (ADS)

Rivet, Sylvain; Bradu, Adrian; Maria, Michael; Feuchter, Thomas; Leick, Lasse; Podoleanu, Adrian

2018-03-01

A general theoretical framework is described to obtain the advantages and the drawbacks of two novel Fourier Domain Optical Coherence Tomography (OCT) methods denoted as Master/Slave Interferometry (MSI) and its extension denoted as Complex Master/Slave Interferometry (CMSI). Instead of linearizing the digital data representing the channeled spectrum before a Fourier transform can be applied to it (as in OCT standard methods), channeled spectrum is decomposed on the basis of local oscillations. This replaces the need for linearization, generally time consuming, before any calculation of the depth profile in the range of interest. In this model two functions, g and h, are introduced. The function g describes the modulation chirp of the channeled spectrum signal due to nonlinearities in the decoding process from wavenumber to time. The function h describes the dispersion in the interferometer. The utilization of these two functions brings two major improvements to previous implementations of the MSI method. The paper details the steps to obtain the functions g and h, and represents the CMSI in a matrix formulation that enables to implement easily this method in LabVIEW by using parallel programming with multi-cores.

Experiments and Reaction Models of Fundamental Combustion Properties

DTIC Science & Technology

2010-05-31

in liquid hydrocarbon flames Lennard - Jones 12-6 potential parameters were estimated for n-alkanes and 1-alkenes with carbon numbers ranging from 5...hydrocarbons, were studied both experimentally and numerically. The fuel mixtures were chosen in order to gain insight into potential kinetic couplings...initio electronic structure theory, transition state theory, and master equation modelling. The potential energy surface was examined with the coupled

Prediction of wood mechanical and chemical properties in the presence and absence of blue stain using two near infrared instruments

Treesearch

Brian K. Via; Chi-Leung So; Todd F. Shupe; Lori G. Eckhardt; Michael Stine; Leslie H. Groom

2005-01-01

The objective of this research was to (a) determine if blue stain in solid wood influenced calibration equations developed from a nonstained wood population, (b) assess the bias introduced when scanning was performed by the slave instrument without calibration transfer from the master instrument and (c) partition absorbance-based variation by instrument, stain and...

Analytic descriptions of stochastic bistable systems under force ramp

DOE PAGES

Friddle, Raymond W.

2016-05-13

Solving the two-state master equation with time-dependent rates, the ubiquitous driven bistable system, is a long-standing problem that does not permit a complete solution for all driving rates. We show an accurate approximation to this problem by considering the system in the control parameter regime. Moreover, the results are immediately applicable to a diverse range of bistable systems including single-molecule mechanics.

Geometry and Algebra: The Future Flight Equation. A Lesson Guide with Activities in Mathematics, Science, and Technology. NASA CONNECT.

ERIC Educational Resources Information Center

National Aeronautics and Space Administration, Hampton, VA. Langley Research Center.

This activity, part of the NASA CONNECT Series, is designed to help students in grades 6-8 learn how NASA engineers develop experimental aircraft. It consists of an overview of the program, details of the hands-on activity, a series of blackline master student worksheets, teacher materials, and a guide to further resources. (MM)

Study on viscosity of conventional and polymer modified asphalt binders in steady and dynamic shear domain

NASA Astrophysics Data System (ADS)

Saboo, Nikhil; Singh, Bhupendra; Kumar, Praveen; Vikram, Durgesh

2018-02-01

This study focuses on evaluating the flow behavior of conventional and polymer modified asphalt binders in steady- and dynamic-shear domain, for a temperature range of 20-70 °C, using a Dynamic Shear Rheometer (DSR). Steady-shear viscosity and frequency sweep tests were carried out on two conventional (VG 10 and VG 30) and two polymer (SBS and EVA) modified asphalt binders. Applicability of the Cox-Merz principle was evaluated and complex viscosity master curves were analyzed at five different reference temperatures. Cross model was used to simulate the complex viscosity master curves at different temperatures. It was found that asphalt binders exhibited shear-thinning behavior at all the test temperatures. The critical shear rate increased with increase in temperature and was found to be lowest for plastomeric modified asphalt binder. The Cox-Merz principle was found to be valid in the zero-shear viscosity (ZSV) domain and deviated at higher frequency/shear rate for all the binders. Results from the study indicated that the ratio of ZSV can be successfully used as shift factors for construction of master curves at different reference temperatures. Cross model was found to be suitable in simulating the complex viscosity master curves at all the test temperatures. Analysis of model parameters indicated that a strong relationship exists between ZSV and the critical shear rate. ZSV and critical shear rate varied exponentially with temperature. This relationship was used to propose a simple equation for assessing the shift factors for construction of master curves.

Effects of system-bath coupling on a photosynthetic heat engine: A polaron master-equation approach

NASA Astrophysics Data System (ADS)

Qin, M.; Shen, H. Z.; Zhao, X. L.; Yi, X. X.

2017-07-01

Stimulated by suggestions of quantum effects in energy transport in photosynthesis, the fundamental principles responsible for the near-unit efficiency of the conversion of solar to chemical energy became active again in recent years. Under natural conditions, the formation of stable charge-separation states in bacteria and plant reaction centers is strongly affected by the coupling of electronic degrees of freedom to a wide range of vibrational motions. These inspire and motivate us to explore the effects of the environment on the operation of such complexes. In this paper, we apply the polaron master equation, which offers the possibilities to interpolate between weak and strong system-bath coupling, to study how system-bath couplings affect the exciton-transfer processes in the Photosystem II reaction center described by a quantum heat engine (QHE) model over a wide parameter range. The effects of bath correlation and temperature, together with the combined effects of these factors are also discussed in detail. We interpret these results in terms of noise-assisted transport effect and dynamical localization, which correspond to two mechanisms underpinning the transfer process in photosynthetic complexes: One is resonance energy transfer and the other is the dynamical localization effect captured by the polaron master equation. The effects of system-bath coupling and bath correlation are incorporated in the effective system-bath coupling strength determining whether noise-assisted transport effect or dynamical localization dominates the dynamics and temperature modulates the balance of the two mechanisms. Furthermore, these two mechanisms can be attributed to one physical origin: bath-induced fluctuations. The two mechanisms are manifestations of the dual role played by bath-induced fluctuations depending on the range of parameters. The origin and role of coherence are also discussed. It is the constructive interplay between noise and coherent dynamics, rather than the mere presence or absence of coherence or noise, that is responsible for the optimal heat engine performance. In addition, we find that the effective voltage of QHE exhibits superior robustness against the bath noise as long as the system-bath coupling is not very strong.

An Approximate Solution and Master Curves for Buckling of Symmetrically Laminated Composite Cylinders

NASA Technical Reports Server (NTRS)

Nemeth, Michael P.

2013-01-01

Nondimensional linear-bifurcation buckling equations for balanced, symmetrically laminated cylinders with negligible shell-wall anisotropies and subjected to uniform axial compression loads are presented. These equations are solved exactly for the practical case of simply supported ends. Nondimensional quantities are used to characterize the buckling behavior that consist of a stiffness-weighted length-to-radius parameter, a stiffness-weighted shell-thinness parameter, a shell-wall nonhomogeneity parameter, two orthotropy parameters, and a nondimensional buckling load. Ranges for the nondimensional parameters are established that encompass a wide range of laminated-wall constructions and numerous generic plots of nondimensional buckling load versus a stiffness-weighted length-to-radius ratio are presented for various combinations of the other parameters. These plots are expected to include many practical cases of interest to designers. Additionally, these plots show how the parameter values affect the distribution and size of the festoons forming each response curve and how they affect the attenuation of each response curve to the corresponding solution for an infinitely long cylinder. To aid in preliminary design studies, approximate formulas for the nondimensional buckling load are derived, and validated against the corresponding exact solution, that give the attenuated buckling response of an infinitely long cylinder in terms of the nondimensional parameters presented herein. A relatively small number of "master curves" are identified that give a nondimensional measure of the buckling load of an infinitely long cylinder as a function of the orthotropy and wall inhomogeneity parameters. These curves reduce greatly the complexity of the design-variable space as compared to representations that use dimensional quantities as design variables. As a result of their inherent simplicity, these master curves are anticipated to be useful in the ongoing development of buckling-design technology.

Probability distributions for multimeric systems.

PubMed

Albert, Jaroslav; Rooman, Marianne

2016-01-01

We propose a fast and accurate method of obtaining the equilibrium mono-modal joint probability distributions for multimeric systems. The method necessitates only two assumptions: the copy number of all species of molecule may be treated as continuous; and, the probability density functions (pdf) are well-approximated by multivariate skew normal distributions (MSND). Starting from the master equation, we convert the problem into a set of equations for the statistical moments which are then expressed in terms of the parameters intrinsic to the MSND. Using an optimization package on Mathematica, we minimize a Euclidian distance function comprising of a sum of the squared difference between the left and the right hand sides of these equations. Comparison of results obtained via our method with those rendered by the Gillespie algorithm demonstrates our method to be highly accurate as well as efficient.

On the solution of the generalized wave and generalized sine-Gordon equations

NASA Technical Reports Server (NTRS)

Ablowitz, M. J.; Beals, R.; Tenenblat, K.

1986-01-01

The generalized wave equation and generalized sine-Gordon equations are known to be natural multidimensional differential geometric generalizations of the classical two-dimensional versions. In this paper, a system of linear differential equations is associated with these equations, and it is shown how the direct and inverse problems can be solved for appropriately decaying data on suitable lines. An initial-boundary value problem is solved for these equations.

Mean-field approximation for the Sznajd model in complex networks

NASA Astrophysics Data System (ADS)

Araújo, Maycon S.; Vannucchi, Fabio S.; Timpanaro, André M.; Prado, Carmen P. C.

2015-02-01

This paper studies the Sznajd model for opinion formation in a population connected through a general network. A master equation describing the time evolution of opinions is presented and solved in a mean-field approximation. Although quite simple, this approximation allows us to capture the most important features regarding the steady states of the model. When spontaneous opinion changes are included, a discontinuous transition from consensus to polarization can be found as the rate of spontaneous change is increased. In this case we show that a hybrid mean-field approach including interactions between second nearest neighbors is necessary to estimate correctly the critical point of the transition. The analytical prediction of the critical point is also compared with numerical simulations in a wide variety of networks, in particular Barabási-Albert networks, finding reasonable agreement despite the strong approximations involved. The same hybrid approach that made it possible to deal with second-order neighbors could just as well be adapted to treat other problems such as epidemic spreading or predator-prey systems.

Waveguide quantum electrodynamics in squeezed vacuum

NASA Astrophysics Data System (ADS)

You, Jieyu; Liao, Zeyang; Li, Sheng-Wen; Zubairy, M. Suhail

2018-02-01

We study the dynamics of a general multiemitter system coupled to the squeezed vacuum reservoir and derive a master equation for this system based on the Weisskopf-Wigner approximation. In this theory, we include the effect of positions of the squeezing sources which is usually neglected in the previous studies. We apply this theory to a quasi-one-dimensional waveguide case where the squeezing in one dimension is experimentally achievable. We show that while dipole-dipole interaction induced by ordinary vacuum depends on the emitter separation, the two-photon process due to the squeezed vacuum depends on the positions of the emitters with respect to the squeezing sources. The dephasing rate, decay rate, and the resonance fluorescence of the waveguide-QED in the squeezed vacuum are controllable by changing the positions of emitters. Furthermore, we demonstrate that the stationary maximum entangled NOON state for identical emitters can be reached with arbitrary initial state when the center-of-mass position of the emitters satisfies certain conditions.

Activation rates for nonlinear stochastic flows driven by non-Gaussian noise

NASA Astrophysics Data System (ADS)

van den Broeck, C.; Hänggi, P.

1984-11-01

Activation rates are calculated for stochastic bistable flows driven by asymmetric dichotomic Markov noise (a two-state Markov process). This noise contains as limits both a particular type of non-Gaussian white shot noise and white Gaussian noise. Apart from investigating the role of colored noise on the escape rates, one can thus also study the influence of the non-Gaussian nature of the noise on these rates. The rate for white shot noise differs in leading order (Arrhenius factor) from the corresponding rate for white Gaussian noise of equal strength. In evaluating the rates we demonstrate the advantage of using transport theory over a mean first-passage time approach for cases with generally non-white and non-Gaussian noise sources. For white shot noise with exponentially distributed weights we succeed in evaluating the mean first-passage time of the corresponding integro-differential master-equation dynamics. The rate is shown to coincide in the weak noise limit with the inverse mean first-passage time.

Markov State Models of gene regulatory networks.

PubMed

Chu, Brian K; Tse, Margaret J; Sato, Royce R; Read, Elizabeth L

2017-02-06

Gene regulatory networks with dynamics characterized by multiple stable states underlie cell fate-decisions. Quantitative models that can link molecular-level knowledge of gene regulation to a global understanding of network dynamics have the potential to guide cell-reprogramming strategies. Networks are often modeled by the stochastic Chemical Master Equation, but methods for systematic identification of key properties of the global dynamics are currently lacking. The method identifies the number, phenotypes, and lifetimes of long-lived states for a set of common gene regulatory network models. Application of transition path theory to the constructed Markov State Model decomposes global dynamics into a set of dominant transition paths and associated relative probabilities for stochastic state-switching. In this proof-of-concept study, we found that the Markov State Model provides a general framework for analyzing and visualizing stochastic multistability and state-transitions in gene networks. Our results suggest that this framework-adopted from the field of atomistic Molecular Dynamics-can be a useful tool for quantitative Systems Biology at the network scale.

Microwave Photon Detector in Circuit QED

NASA Astrophysics Data System (ADS)

Garcia-Ripoll, Juan Jose; Romero, Guillermo; Solano, Enrique

2009-03-01

In this work we propose a design for a microwave photodetector based on elements from circuit QED such as the ones used in qubit designs. Our proposal consists on a microwave guide in which we embed circuital elements that can absorb photons and irreversibly change state. These incoherent absorption processes constitute the measurement itself. We first model this design using a general master equation for the propagating photons and the absorbing elements. We find that the detection efficiency for a single absorber is limited to 50%, and that this efficiency can be quickly increased by adding more elements with a moderate separation, obtaining 80% and 90% for two and three absorbers. Our abstract design has at least one possible implementation in which the absorbers are current biased Josephson junction. We demonstrate that the coupling between the guide and the junctions is strong enough, irrespectively of the microwave guide size, and derivate realistic parameters for high fidelity operation with current experiments. Patent pending No. 200802933, Oficina Espanola de Patentes y Marcas, 17/10/2008.

Photon-induced tunability of the thermospin current in a Rashba ring

NASA Astrophysics Data System (ADS)

Abdullah, Nzar Rauf; Arnold, Thorsten; Tang, Chi-Shung; Manolescu, Andrei; Gudmundsson, Vidar

2018-04-01

The goal of this work is to show how the thermospin polarization current in a quantum ring changes in the presence of Rashba spin-orbit coupling and a quantized single photon mode of a cavity the ring is placed in. Employing the reduced density operator and a general master equation formalism, we find that both the Rashba interaction and the photon field can significantly modulate the spin polarization and the thermospin polarization current. Tuning the Rashba coupling constant, degenerate energy levels are formed corresponding to the Aharonov-Casher destructive phase interference in the quantum ring system. Our analysis indicates that the maximum spin polarization can be observed at the points of degenerate energy levels due to spin accumulation in the system without the photon field. The thermospin current is thus suppressed. In the presence of the cavity, the photon field leads to an additional kinetic momentum of the electron. As a result the spin polarization can be enhanced by the photon field.

BULGARIAN COMPATIBILITY WITH NATO AIR POWER

DTIC Science & Technology

2016-02-16

speciality: Aviator-Pilot for the Air Force; Civil speciality: Engineer -Pedagogue in Electronics and Automation with Master degree in Aviation... Engineering . During 2003-2005 Lt. Colonel Rusev was a student in Bulgarian ACSC and graduated as a Master in “Command and Control of Air Force...future belonged to the airship , while French Marshal Foch thought that the aircraft could be used for sporting purposes only.1 Bulgarian generals

The Struggle to Succeed: Factors Associated with the Persistence of Part-Time Adult Students Seeking a Master's Degree

ERIC Educational Resources Information Center

Cohen, Marian A. O.; Greenberg, Scott

2011-01-01

Studies of student persistence at the undergraduate level are numerous and well known to those in the field, but at the graduate level, they are far more limited. The latter generally focus on doctoral candidates or those enrolled in professional programs. Master's-degree candidates, especially those who pursue a degree on a part-time basis at a…

Communication Skills for Women in the World of Corporate Business: Getting It Right and Moving Up!

ERIC Educational Resources Information Center

Berry, Priscilla

2010-01-01

This article explores, in general, three areas for leadership communication that women in business need to master. Indeed, there are more than three, but the focus here is on: the need to master the art of successfully confronting the problem when it appears, the process of leading a team, the special requirements of communicating with men. An…

From Competency List to Curriculum Implementation: A Case Study of Japan's First Online Master's Program for E-Learning Specialists Training

ERIC Educational Resources Information Center

Suzuki, Katsuaki

2009-01-01

This article describes the creation of a fully online master's program for e-learning specialist training. This program is the first of its kind in Japan. As background information, Japan's general trends in e-learning are described, including activities of the e-Learning Consortium Japan and National Institute of Multimedia in Education. Such…