Sample records for general dynamic description

  1. Differential Geometry Based Multiscale Models

    PubMed Central

    Wei, Guo-Wei

    2010-01-01

    Large chemical and biological systems such as fuel cells, ion channels, molecular motors, and viruses are of great importance to the scientific community and public health. Typically, these complex systems in conjunction with their aquatic environment pose a fabulous challenge to theoretical description, simulation, and prediction. In this work, we propose a differential geometry based multiscale paradigm to model complex macromolecular systems, and to put macroscopic and microscopic descriptions on an equal footing. In our approach, the differential geometry theory of surfaces and geometric measure theory are employed as a natural means to couple the macroscopic continuum mechanical description of the aquatic environment with the microscopic discrete atom-istic description of the macromolecule. Multiscale free energy functionals, or multiscale action functionals are constructed as a unified framework to derive the governing equations for the dynamics of different scales and different descriptions. Two types of aqueous macromolecular complexes, ones that are near equilibrium and others that are far from equilibrium, are considered in our formulations. We show that generalized Navier–Stokes equations for the fluid dynamics, generalized Poisson equations or generalized Poisson–Boltzmann equations for electrostatic interactions, and Newton's equation for the molecular dynamics can be derived by the least action principle. These equations are coupled through the continuum-discrete interface whose dynamics is governed by potential driven geometric flows. Comparison is given to classical descriptions of the fluid and electrostatic interactions without geometric flow based micro-macro interfaces. The detailed balance of forces is emphasized in the present work. We further extend the proposed multiscale paradigm to micro-macro analysis of electrohydrodynamics, electrophoresis, fuel cells, and ion channels. We derive generalized Poisson–Nernst–Planck equations that are coupled to generalized Navier–Stokes equations for fluid dynamics, Newton's equation for molecular dynamics, and potential and surface driving geometric flows for the micro-macro interface. For excessively large aqueous macromolecular complexes in chemistry and biology, we further develop differential geometry based multiscale fluid-electro-elastic models to replace the expensive molecular dynamics description with an alternative elasticity formulation. PMID:20169418

  2. Functional thermo-dynamics: a generalization of dynamic density functional theory to non-isothermal situations.

    PubMed

    Anero, Jesús G; Español, Pep; Tarazona, Pedro

    2013-07-21

    We present a generalization of Density Functional Theory (DFT) to non-equilibrium non-isothermal situations. By using the original approach set forth by Gibbs in his consideration of Macroscopic Thermodynamics (MT), we consider a Functional Thermo-Dynamics (FTD) description based on the density field and the energy density field. A crucial ingredient of the theory is an entropy functional, which is a concave functional. Therefore, there is a one to one connection between the density and energy fields with the conjugate thermodynamic fields. The connection between the three levels of description (MT, DFT, FTD) is clarified through a bridge theorem that relates the entropy of different levels of description and that constitutes a generalization of Mermin's theorem to arbitrary levels of description whose relevant variables are connected linearly. Although the FTD level of description does not provide any new information about averages and correlations at equilibrium, it is a crucial ingredient for the dynamics in non-equilibrium states. We obtain with the technique of projection operators the set of dynamic equations that describe the evolution of the density and energy density fields from an initial non-equilibrium state towards equilibrium. These equations generalize time dependent density functional theory to non-isothermal situations. We also present an explicit model for the entropy functional for hard spheres.

  3. Generalization of the Bogoliubov-Zubarev Theorem for Dynamic Pressure to the Case of Compressibility

    NASA Astrophysics Data System (ADS)

    Rudoi, Yu. G.

    2018-01-01

    We present the motivation, formulation, and modified proof of the Bogoliubov-Zubarev theorem connecting the pressure of a dynamical object with its energy within the framework of a classical description and obtain a generalization of this theorem to the case of dynamical compressibility. In both cases, we introduce the volume of the object into consideration using a singular addition to the Hamiltonian function of the physical object, which allows using the concept of the Bogoliubov quasiaverage explicitly already on a dynamical level of description. We also discuss the relation to the same result known as the Hellmann-Feynman theorem in the framework of the quantum description of a physical object.

  4. Adaption of a corrector module to the IMP dynamics program

    NASA Technical Reports Server (NTRS)

    1972-01-01

    The corrector module of the RAEIOS program and the IMP dynamics computer program were combined to achieve a date-fitting capability with the more general spacecraft dynamics models of the IMP program. The IMP dynamics program presents models of spacecraft dynamics for satellites with long, flexible booms. The properties of the corrector are discussed and a description is presented of the performance criteria and search logic for parameter estimation. A description is also given of the modifications made to add the corrector to the IMP program. This includes subroutine descriptions, common definitions, definition of input, and a description of output.

  5. Solvated molecular dynamics of LiCN isomerization: All-atom argon solvent versus a generalized Langevin bath.

    PubMed

    Junginger, Andrej; Garcia-Muller, Pablo L; Borondo, F; Benito, R M; Hernandez, Rigoberto

    2016-01-14

    The reaction rate rises and falls with increasing density or friction when a molecule is activated by collisions with the solvent particles. This so-called Kramers turnover has recently been observed in the isomerization reaction of LiCN in an argon bath. In this paper, we demonstrate by direct comparison with those results that a reduced-dimensional (generalized) Langevin description gives rise to similar reaction dynamics as the corresponding (computationally expensive) full molecular dynamics calculations. We show that the density distributions within the Langevin description are in direct agreement with the full molecular dynamics results and that the turnover in the reaction rates is reproduced qualitatively and quantitatively at different temperatures.

  6. General Solution of the Rayleigh Equation for the Description of Bubble Oscillations Near a Wall

    NASA Astrophysics Data System (ADS)

    Garashchuk, Ivan; Sinelshchikov, Dmitry; Kudryashov, Nikolay

    2018-02-01

    We consider a generalization of the Rayleigh equation for the description of the dynamics of a spherical gas bubble oscillating near an elastic or rigid wall. We show that in the non-dissipative case, i.e. neglecting the liquid viscosity and compressibility, it is possible to construct the general analytical solution of this equation. The corresponding general solution is expressed via the Weierstrass elliptic function. We analyze the dependence of this solution properties on the physical parameters.

  7. Stability of Dynamical Systems with Discontinuous Motions:

    NASA Astrophysics Data System (ADS)

    Michel, Anthony N.; Hou, Ling

    In this paper we present a stability theory for discontinuous dynamical systems (DDS): continuous-time systems whose motions are not necessarily continuous with respect to time. We show that this theory is not only applicable in the analysis of DDS, but also in the analysis of continuous dynamical systems (continuous-time systems whose motions are continuous with respect to time), discrete-time dynamical systems (systems whose motions are defined at discrete points in time) and hybrid dynamical systems (HDS) (systems whose descriptions involve simultaneously continuous-time and discrete-time). We show that the stability results for DDS are in general less conservative than the corresponding well-known classical Lyapunov results for continuous dynamical systems and discrete-time dynamical systems. Although the DDS stability results are applicable to general dynamical systems defined on metric spaces (divorced from any kind of description by differential equations, or any other kinds of equations), we confine ourselves to finite-dimensional dynamical systems defined by ordinary differential equations and difference equations, to make this paper as widely accessible as possible. We present only sample results, namely, results for uniform asymptotic stability in the large.

  8. The dynamics of stock exchange based on the formalism of weak continuous quantum measurement

    NASA Astrophysics Data System (ADS)

    Melnyk, S.; Tuluzov, I.

    2010-07-01

    The problem of measurement in economic models and the possibility of their quantum-mechanical description are considered. It is revealed that the apparent paradox of such a description is associated with a priori requirement of conformity of the model to all the alternatives of free choice of the observer. The measurement of the state of a trader on a stock exchange is formally defined as his responses to the proposals of sale at a fixed price. It is shown that an analogue of Bell's inequalities for this measurement model is violated at the most general assumptions related to the strategy of the trader and requires a quantum-mechanical description of the dynamics of his condition. In the framework of the theory of weak continuous quantum measurements, the equation of stock price dynamics and the quantum-mechanical generalization of the F. Black and M. Scholes model for pricing options are obtained. The fundamental distinctions between the obtained model and the classical one are discussed.

  9. Quantized Electromagnetic-Field Propagation in General Non-Local and Non-Stationary Dispersive and Absorbing Media

    NASA Astrophysics Data System (ADS)

    Jacobs, Verne

    Dynamical descriptions for the propagation of quantized electromagnetic fields, in the presence of environmental interactions, are systematically and self-consistently developed in the complimentary Schrödinger and Heisenberg pictures. An open-systems (non-equilibrium) quantum-electrodynamics description is thereby provided for electromagnetic-field propagation in general non-local and non-stationary dispersive and absorbing optical media, including a fundamental microscopic treatment of decoherence and relaxation processes due to environmental collisional and electromagnetic interactions. Particular interest is centered on entangled states and other non-classical states of electromagnetic fields, which may be created by non-linear electromagnetic interactions and detected by the measurement of various electromagnetic-field correlation functions. Accordingly, we present dynamical descriptions based on general forms of electromagnetic-field correlation functions involving both the electric-field and the magnetic-field components of the electromagnetic field, which are treated on an equal footing. Work supported by the Office of Naval Research through the Basic Research Program at The Naval Research Laboratory.

  10. Lagrangian formulation and symmetrical description of liquid dynamics.

    PubMed

    Trachenko, K

    2017-12-01

    Theoretical description of liquids has been primarily based on the hydrodynamic approach and its generalization to the solid-like regime. We show that the same liquid properties can be derived starting from solid-like equations and generalizing them to account for the hydrodynamic flow. Both approaches predict propagating shear waves with the notable gap in k-space. This gives an important symmetry of liquids regarding their description. We subsequently construct a two-field Lagrangian of liquid dynamics where the dissipative hydrodynamic and solid-like terms are treated on equal footing. The Lagrangian predicts two gapped waves propagating in opposite space-time directions. The dissipative and mass terms compete by promoting gaps in k-space and energy, respectively. When bare mass is close to the field hopping frequency, both gaps close and the dissipative term annihilates the bare mass.

  11. Lagrangian formulation and symmetrical description of liquid dynamics

    NASA Astrophysics Data System (ADS)

    Trachenko, K.

    2017-12-01

    Theoretical description of liquids has been primarily based on the hydrodynamic approach and its generalization to the solid-like regime. We show that the same liquid properties can be derived starting from solid-like equations and generalizing them to account for the hydrodynamic flow. Both approaches predict propagating shear waves with the notable gap in k -space. This gives an important symmetry of liquids regarding their description. We subsequently construct a two-field Lagrangian of liquid dynamics where the dissipative hydrodynamic and solid-like terms are treated on equal footing. The Lagrangian predicts two gapped waves propagating in opposite space-time directions. The dissipative and mass terms compete by promoting gaps in k -space and energy, respectively. When bare mass is close to the field hopping frequency, both gaps close and the dissipative term annihilates the bare mass.

  12. Hamiltonian description and quantization of dissipative systems

    NASA Astrophysics Data System (ADS)

    Enz, Charles P.

    1994-09-01

    Dissipative systems are described by a Hamiltonian, combined with a “dynamical matrix” which generalizes the simplectic form of the equations of motion. Criteria for dissipation are given and the examples of a particle with friction and of the Lotka-Volterra model are presented. Quantization is first introduced by translating generalized Poisson brackets into commutators and anticommutators. Then a generalized Schrödinger equation expressed by a dynamical matrix is constructed and discussed.

  13. Qualitative dynamics semantics for SBGN process description.

    PubMed

    Rougny, Adrien; Froidevaux, Christine; Calzone, Laurence; Paulevé, Loïc

    2016-06-16

    Qualitative dynamics semantics provide a coarse-grain modeling of networks dynamics by abstracting away kinetic parameters. They allow to capture general features of systems dynamics, such as attractors or reachability properties, for which scalable analyses exist. The Systems Biology Graphical Notation Process Description language (SBGN-PD) has become a standard to represent reaction networks. However, no qualitative dynamics semantics taking into account all the main features available in SBGN-PD had been proposed so far. We propose two qualitative dynamics semantics for SBGN-PD reaction networks, namely the general semantics and the stories semantics, that we formalize using asynchronous automata networks. While the general semantics extends standard Boolean semantics of reaction networks by taking into account all the main features of SBGN-PD, the stories semantics allows to model several molecules of a network by a unique variable. The obtained qualitative models can be checked against dynamical properties and therefore validated with respect to biological knowledge. We apply our framework to reason on the qualitative dynamics of a large network (more than 200 nodes) modeling the regulation of the cell cycle by RB/E2F. The proposed semantics provide a direct formalization of SBGN-PD networks in dynamical qualitative models that can be further analyzed using standard tools for discrete models. The dynamics in stories semantics have a lower dimension than the general one and prune multiple behaviors (which can be considered as spurious) by enforcing the mutual exclusiveness between the activity of different nodes of a same story. Overall, the qualitative semantics for SBGN-PD allow to capture efficiently important dynamical features of reaction network models and can be exploited to further refine them.

  14. Plant architecture, growth and radiative transfer for terrestrial and space environments

    NASA Technical Reports Server (NTRS)

    Norman, John M.; Goel, Narendra S.

    1993-01-01

    The overall objective of this research was to develop a hardware implemented model that would incorporate realistic and dynamic descriptions of canopy architecture in physiologically based models of plant growth and functioning, with an emphasis on radiative transfer while accommodating other environmental constraints. The general approach has five parts: a realistic mathematical treatment of canopy architecture, a methodology for combining this general canopy architectural description with a general radiative transfer model, the inclusion of physiological and environmental aspects of plant growth, inclusion of plant phenology, and integration.

  15. General connected and reconnected fields in plasmas

    NASA Astrophysics Data System (ADS)

    Mahajan, Swadesh M.; Asenjo, Felipe A.

    2018-02-01

    For plasma dynamics, more encompassing than the magnetohydrodynamical (MHD) approximation, the foundational concepts of "magnetic reconnection" may require deep revisions because, in the larger dynamics, magnetic field is no longer connected to the fluid lines; it is replaced by more general fields (one for each plasma specie) that are weighted combination of the electromagnetic and the thermal-vortical fields. We study the two-fluid plasma dynamics plasma expressed in two different sets of variables: the two-fluid (2F) description in terms of individual fluid velocities, and the one-fluid (1F) variables comprising the plasma bulk motion and plasma current. In the 2F description, a Connection Theorem is readily established; we show that, for each specie, there exists a Generalized (Magnetofluid/Electro-Vortic) field that is frozen-in the fluid and consequently remains, forever, connected to the flow. This field is an expression of the unification of the electromagnetic, and fluid forces (kinematic and thermal) for each specie. Since the magnetic field, by itself, is not connected in the first place, its reconnection is never forbidden and does not require any external agency (like resistivity). In fact, a magnetic field reconnection (local destruction) must be interpreted simply as a consequence of the preservation of the dynamical structure of the unified field. In the 1F plasma description, however, it is shown that there is no exact physically meaningful Connection Theorem; a general and exact field does not exist, which remains connected to the bulk plasma flow. It is also shown that the helicity conservation and the existence of a Connected field follow from the same dynamical structure; the dynamics must be expressible as an ideal Ohm's law with a physical velocity. This new perspective, emerging from the analysis of the post MHD physics, must force us to reexamine the meaning as well as our understanding of magnetic reconnection.

  16. Phase space deformations in phantom cosmology

    NASA Astrophysics Data System (ADS)

    López, J. L.; Sabido, M.; Yee-Romero, C.

    2018-03-01

    We discuss the physical consequences of general phase space deformations on the minisuperspace of phantom cosmology. Based on the principle of physically equivalent descriptions in the deformed theory, we investigate for what values of the deformation parameters the arising descriptions are physically equivalent. We also construct and solve the quantum model and derive the semiclassical dynamics.

  17. Symmetry remnants in the face of competing interactions in nuclei

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

    Leviatan, A., E-mail: ami@phys.huji.ac.il; Macek, M., E-mail: michal.macek@yale.edu

    2015-10-15

    Detailed description of nuclei necessitates model Hamiltonians which break most dynamical symmetries. Nevertheless, generalized notions of partial and quasi dynamical symmetries may still be applicable to selected subsets of states, amidst a complicated environment of other states. We examine such scenarios in the context of nuclear shape-phase transitions.

  18. Nanopore Current Oscillations: Nonlinear Dynamics on the Nanoscale.

    PubMed

    Hyland, Brittany; Siwy, Zuzanna S; Martens, Craig C

    2015-05-21

    In this Letter, we describe theoretical modeling of an experimentally realized nanoscale system that exhibits the general universal behavior of a nonlinear dynamical system. In particular, we consider the description of voltage-induced current fluctuations through a single nanopore from the perspective of nonlinear dynamics. We briefly review the experimental system and its behavior observed and then present a simple phenomenological nonlinear model that reproduces the qualitative behavior of the experimental data. The model consists of a two-dimensional deterministic nonlinear bistable oscillator experiencing both dissipation and random noise. The multidimensionality of the model and the interplay between deterministic and stochastic forces are both required to obtain a qualitatively accurate description of the physical system.

  19. Kinetic description of ionospheric dynamics in the three-fluid approximation

    NASA Technical Reports Server (NTRS)

    Comfort, R. H.

    1975-01-01

    Conservation equations are developed in the three-fluid approximation for general application problems of ionospheric dynamics in the altitude region 90 km to 800 km for all geographic locations. These equations are applied to a detailed study of auroral E region neutral winds and their relationship to ionospheric plasma motions.

  20. Extreme Environments Test Capabilities at NASA GRC for Parker Hannifin Visit

    NASA Technical Reports Server (NTRS)

    Arnett, Lori

    2016-01-01

    The presentation includes general description on the following test facilities: Fuel Cell Testing Lab, Structural Dynamics Lab, Thermal Vacuum Test Facilities - including a description of the proposed Kinetic High Altitude Simulator concept, EMI Test Lab, and the Creek Road Cryogenic Complex - specifically the Small Multi-purpose Research Facility (SMiRF) and the Cryogenics Components Lab 7 (CCL-7).

  1. Biologically Inspired Model for Visual Cognition Achieving Unsupervised Episodic and Semantic Feature Learning.

    PubMed

    Qiao, Hong; Li, Yinlin; Li, Fengfu; Xi, Xuanyang; Wu, Wei

    2016-10-01

    Recently, many biologically inspired visual computational models have been proposed. The design of these models follows the related biological mechanisms and structures, and these models provide new solutions for visual recognition tasks. In this paper, based on the recent biological evidence, we propose a framework to mimic the active and dynamic learning and recognition process of the primate visual cortex. From principle point of view, the main contributions are that the framework can achieve unsupervised learning of episodic features (including key components and their spatial relations) and semantic features (semantic descriptions of the key components), which support higher level cognition of an object. From performance point of view, the advantages of the framework are as follows: 1) learning episodic features without supervision-for a class of objects without a prior knowledge, the key components, their spatial relations and cover regions can be learned automatically through a deep neural network (DNN); 2) learning semantic features based on episodic features-within the cover regions of the key components, the semantic geometrical values of these components can be computed based on contour detection; 3) forming the general knowledge of a class of objects-the general knowledge of a class of objects can be formed, mainly including the key components, their spatial relations and average semantic values, which is a concise description of the class; and 4) achieving higher level cognition and dynamic updating-for a test image, the model can achieve classification and subclass semantic descriptions. And the test samples with high confidence are selected to dynamically update the whole model. Experiments are conducted on face images, and a good performance is achieved in each layer of the DNN and the semantic description learning process. Furthermore, the model can be generalized to recognition tasks of other objects with learning ability.

  2. Relativistic Newtonian Dynamics under a central force

    NASA Astrophysics Data System (ADS)

    Friedman, Yaakov

    2016-10-01

    Planck's formula and General Relativity indicate that potential energy influences spacetime. Using Einstein's Equivalence Principle and an extension of his Clock Hypothesis, an explicit description of this influence is derived. We present a new relativity model by incorporating the influence of the potential energy on spacetime in Newton's dynamics for motion under a central force. This model extends the model used by Friedman and Steiner (EPL, 113 (2016) 39001) to obtain the exact precession of Mercury without curving spacetime. We also present a solution of this model for a hydrogen-like atom, which explains the reason for a probabilistic description.

  3. The Teaching-Learning Environment, an Information-Dynamic Approach

    ERIC Educational Resources Information Center

    De Blasio, Cataldo; Järvinen, Mika

    2014-01-01

    In the present study a generalized approach is given for the description of acquisition procedures with a particular focus on the knowledge acquisition process. The learning progression is given as an example here letting the theory to be applied to different situations. An analytical approach is performed starting from the generalized fundamental…

  4. 49 CFR 572.91 - General description.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... structural properties of the dummy are such that the dummy conforms to this part in every respect both before and after being used in dynamic tests specified in Standard No. 213 of this chapter (§ 571.213). ...

  5. 49 CFR 572.91 - General description.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... structural properties of the dummy are such that the dummy conforms to this part in every respect both before and after being used in dynamic tests specified in Standard No. 213 of this chapter (§ 571.213). ...

  6. 49 CFR 572.81 - General description.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... contacts that exist under static conditions. (c) The structural properties of the dummy are such that the dummy conforms to this part in every respect both before and after being used in dynamic tests such as...

  7. Well-posed two-temperature constitutive equations for stable dense fluid shock waves using molecular dynamics and generalizations of Navier-Stokes-Fourier continuum mechanics.

    PubMed

    Hoover, Wm G; Hoover, Carol G

    2010-04-01

    Guided by molecular dynamics simulations, we generalize the Navier-Stokes-Fourier constitutive equations and the continuum motion equations to include both transverse and longitudinal temperatures. To do so we partition the contributions of the heat transfer, the work done, and the heat flux vector between the longitudinal and transverse temperatures. With shockwave boundary conditions time-dependent solutions of these equations converge to give stationary shockwave profiles. The profiles include anisotropic temperature and can be fitted to molecular dynamics results, demonstrating the utility and simplicity of a two-temperature description of far-from-equilibrium states.

  8. Derivation of the linear-logistic model and Cox's proportional hazard model from a canonical system description.

    PubMed

    Voit, E O; Knapp, R G

    1997-08-15

    The linear-logistic regression model and Cox's proportional hazard model are widely used in epidemiology. Their successful application leaves no doubt that they are accurate reflections of observed disease processes and their associated risks or incidence rates. In spite of their prominence, it is not a priori evident why these models work. This article presents a derivation of the two models from the framework of canonical modeling. It begins with a general description of the dynamics between risk sources and disease development, formulates this description in the canonical representation of an S-system, and shows how the linear-logistic model and Cox's proportional hazard model follow naturally from this representation. The article interprets the model parameters in terms of epidemiological concepts as well as in terms of general systems theory and explains the assumptions and limitations generally accepted in the application of these epidemiological models.

  9. The derivation and approximation of coarse-grained dynamics from Langevin dynamics

    NASA Astrophysics Data System (ADS)

    Ma, Lina; Li, Xiantao; Liu, Chun

    2016-11-01

    We present a derivation of a coarse-grained description, in the form of a generalized Langevin equation, from the Langevin dynamics model that describes the dynamics of bio-molecules. The focus is placed on the form of the memory kernel function, the colored noise, and the second fluctuation-dissipation theorem that connects them. Also presented is a hierarchy of approximations for the memory and random noise terms, using rational approximations in the Laplace domain. These approximations offer increasing accuracy. More importantly, they eliminate the need to evaluate the integral associated with the memory term at each time step. Direct sampling of the colored noise can also be avoided within this framework. Therefore, the numerical implementation of the generalized Langevin equation is much more efficient.

  10. Dimension reduction for stochastic dynamical systems forced onto a manifold by large drift: a constructive approach with examples from theoretical biology

    NASA Astrophysics Data System (ADS)

    Parsons, Todd L.; Rogers, Tim

    2017-10-01

    Systems composed of large numbers of interacting agents often admit an effective coarse-grained description in terms of a multidimensional stochastic dynamical system, driven by small-amplitude intrinsic noise. In applications to biological, ecological, chemical and social dynamics it is common for these models to posses quantities that are approximately conserved on short timescales, in which case system trajectories are observed to remain close to some lower-dimensional subspace. Here, we derive explicit and general formulae for a reduced-dimension description of such processes that is exact in the limit of small noise and well-separated slow and fast dynamics. The Michaelis-Menten law of enzyme-catalysed reactions, and the link between the Lotka-Volterra and Wright-Fisher processes are explored as a simple worked examples. Extensions of the method are presented for infinite dimensional systems and processes coupled to non-Gaussian noise sources.

  11. Histories approach to general relativity: I. The spacetime character of the canonical description

    NASA Astrophysics Data System (ADS)

    Savvidou, Ntina

    2004-01-01

    The problem of time in canonical quantum gravity is related to the fact that the canonical description is based on the prior choice of a spacelike foliation, hence making a reference to a spacetime metric. However, the metric is expected to be a dynamical, fluctuating quantity in quantum gravity. We show how this problem can be solved in the histories formulation of general relativity. We implement the 3 + 1 decomposition using metric-dependent foliations which remain spacelike with respect to all possible Lorentzian metrics. This allows us to find an explicit relation of covariant and canonical quantities which preserves the spacetime character of the canonical description. In this new construction, we also have the coexistence of the spacetime diffeomorphisms group, Diff(M), and the Dirac algebra of constraints.

  12. Macroscopic description of complex adaptive networks coevolving with dynamic node states

    NASA Astrophysics Data System (ADS)

    Wiedermann, Marc; Donges, Jonathan F.; Heitzig, Jobst; Lucht, Wolfgang; Kurths, Jürgen

    2015-05-01

    In many real-world complex systems, the time evolution of the network's structure and the dynamic state of its nodes are closely entangled. Here we study opinion formation and imitation on an adaptive complex network which is dependent on the individual dynamic state of each node and vice versa to model the coevolution of renewable resources with the dynamics of harvesting agents on a social network. The adaptive voter model is coupled to a set of identical logistic growth models and we mainly find that, in such systems, the rate of interactions between nodes as well as the adaptive rewiring probability are crucial parameters for controlling the sustainability of the system's equilibrium state. We derive a macroscopic description of the system in terms of ordinary differential equations which provides a general framework to model and quantify the influence of single node dynamics on the macroscopic state of the network. The thus obtained framework is applicable to many fields of study, such as epidemic spreading, opinion formation, or socioecological modeling.

  13. Macroscopic description of complex adaptive networks coevolving with dynamic node states.

    PubMed

    Wiedermann, Marc; Donges, Jonathan F; Heitzig, Jobst; Lucht, Wolfgang; Kurths, Jürgen

    2015-05-01

    In many real-world complex systems, the time evolution of the network's structure and the dynamic state of its nodes are closely entangled. Here we study opinion formation and imitation on an adaptive complex network which is dependent on the individual dynamic state of each node and vice versa to model the coevolution of renewable resources with the dynamics of harvesting agents on a social network. The adaptive voter model is coupled to a set of identical logistic growth models and we mainly find that, in such systems, the rate of interactions between nodes as well as the adaptive rewiring probability are crucial parameters for controlling the sustainability of the system's equilibrium state. We derive a macroscopic description of the system in terms of ordinary differential equations which provides a general framework to model and quantify the influence of single node dynamics on the macroscopic state of the network. The thus obtained framework is applicable to many fields of study, such as epidemic spreading, opinion formation, or socioecological modeling.

  14. Generalized GW+Boltzmann Approach for the Description of Ultrafast Electron Dynamics in Topological Insulators

    PubMed Central

    Battiato, Marco; Sánchez-Barriga, Jaime

    2017-01-01

    Quantum-phase transitions between trivial insulators and topological insulators differ from ordinary metal-insulator transitions in that they arise from the inversion of the bulk band structure due to strong spin–orbit coupling. Such topological phase transitions are unique in nature as they lead to the emergence of topological surface states which are characterized by a peculiar spin texture that is believed to play a central role in the generation and manipulation of dissipationless surface spin currents on ultrafast timescales. Here, we provide a generalized GW+Boltzmann approach for the description of ultrafast dynamics in topological insulators driven by electron–electron and electron–phonon scatterings. Taking the prototypical insulator Bi2Te3 as an example, we test the robustness of our approach by comparing the theoretical prediction to results of time- and angle-resolved photoemission experiments. From this comparison, we are able to demonstrate the crucial role of the excited spin texture in the subpicosecond relaxation of transient electrons, as well as to accurately obtain the magnitude and strength of electron–electron and electron–phonon couplings. Our approach could be used as a generalized theory for three-dimensional topological insulators in the bulk-conducting transport regime, paving the way for the realization of a unified theory of ultrafast dynamics in topological materials. PMID:28773171

  15. Generalized GW+Boltzmann Approach for the Description of Ultrafast Electron Dynamics in Topological Insulators.

    PubMed

    Battiato, Marco; Aguilera, Irene; Sánchez-Barriga, Jaime

    2017-07-17

    Quantum-phase transitions between trivial insulators and topological insulators differ from ordinary metal-insulator transitions in that they arise from the inversion of the bulk band structure due to strong spin-orbit coupling. Such topological phase transitions are unique in nature as they lead to the emergence of topological surface states which are characterized by a peculiar spin texture that is believed to play a central role in the generation and manipulation of dissipationless surface spin currents on ultrafast timescales. Here, we provide a generalized G W +Boltzmann approach for the description of ultrafast dynamics in topological insulators driven by electron-electron and electron-phonon scatterings. Taking the prototypical insulator Bi 2 Te 3 as an example, we test the robustness of our approach by comparing the theoretical prediction to results of time- and angle-resolved photoemission experiments. From this comparison, we are able to demonstrate the crucial role of the excited spin texture in the subpicosecond relaxation of transient electrons, as well as to accurately obtain the magnitude and strength of electron-electron and electron-phonon couplings. Our approach could be used as a generalized theory for three-dimensional topological insulators in the bulk-conducting transport regime, paving the way for the realization of a unified theory of ultrafast dynamics in topological materials.

  16. Hamiltonian approach to continuum dynamics

    NASA Astrophysics Data System (ADS)

    Isaev, A. A.; Kovalevskii, M. Yu.; Peletminskii, S. V.

    1995-02-01

    A study is made of the problem of obtaining the Poisson-bracket algebra of the dynamical variables of continuous media on the basis of specification of the kinematic part of the Lagrangian in terms of generalized coordinates and momenta. Within this algebra, subalgebras of variables corresponding to the description of elastic media, the hydrodynamics of ordinary liquids, and the dynamics of some phases of liquid crystals are identified. The differential conservation laws associated with the symmetries of the Hamiltonian of the system are studied. The dynamics of nematics is considered, and features of the dynamics of the cholesteric, smectic, and discotic phases are noted.

  17. Climate Change: A Multidisciplinary Approach, Second Edition

    NASA Astrophysics Data System (ADS)

    Kirk-Davidoff, Daniel

    2008-07-01

    William Burroughs, who died in November 2007, was a wonderfully clear and evocative writer. Chapter 3 of his last work, Climate Change: A Multidisciplinary Approach, begins with the loveliest four-paragraph description of the general circulation of the Earth's atmosphere I have ever encountered. His writing also shines in his descriptions of the climate record of the past few thousand years, and in his introduction to the measurement of climate change. Unfortunately, the book is marred by inconsistencies in its treatment of climate dynamics, as well as by a number of idiosyncratic choices of emphasis that detract from the book's quality as a general introduction to the science of climate change.

  18. Group theoretical symmetries and generalized Bäcklund transformations for integrable systems

    NASA Astrophysics Data System (ADS)

    Haak, Guido

    1994-05-01

    A notion of symmetry for 1+1-dimensional integrable systems is presented which is consistent with their group theoretic description. It is shown how a group symmetry may be used together with a dynamical reduction to produce new generalizations of the Bäcklund transformation for the Korteweg-de Vries equation to its SL(n,C) generalization. An additional application to the relativistic invariance of the Leznov-Saveliev systems is given.

  19. Global warming description using Daisyworld model with greenhouse gases.

    PubMed

    Paiva, Susana L D; Savi, Marcelo A; Viola, Flavio M; Leiroz, Albino J K

    2014-11-01

    Daisyworld is an archetypal model of the earth that is able to describe the global regulation that can emerge from the interaction between life and environment. This article proposes a model based on the original Daisyworld considering greenhouse gases emission and absorption, allowing the description of the global warming phenomenon. Global and local analyses are discussed evaluating the influence of greenhouse gases in the planet dynamics. Numerical simulations are carried out showing the general qualitative behavior of the Daisyworld for different scenarios that includes solar luminosity variations and greenhouse gases effect. Nonlinear dynamics perspective is of concern discussing a way that helps the comprehension of the global warming phenomenon. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  20. Multiscale Multiphysics and Multidomain Models I: Basic Theory

    PubMed Central

    Wei, Guo-Wei

    2013-01-01

    This work extends our earlier two-domain formulation of a differential geometry based multiscale paradigm into a multidomain theory, which endows us the ability to simultaneously accommodate multiphysical descriptions of aqueous chemical, physical and biological systems, such as fuel cells, solar cells, nanofluidics, ion channels, viruses, RNA polymerases, molecular motors and large macromolecular complexes. The essential idea is to make use of the differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain of solvent from the microscopic domain of solute, and dynamically couple continuum and discrete descriptions. Our main strategy is to construct energy functionals to put on an equal footing of multiphysics, including polar (i.e., electrostatic) solvation, nonpolar solvation, chemical potential, quantum mechanics, fluid mechanics, molecular mechanics, coarse grained dynamics and elastic dynamics. The variational principle is applied to the energy functionals to derive desirable governing equations, such as multidomain Laplace-Beltrami (LB) equations for macromolecular morphologies, multidomain Poisson-Boltzmann (PB) equation or Poisson equation for electrostatic potential, generalized Nernst-Planck (NP) equations for the dynamics of charged solvent species, generalized Navier-Stokes (NS) equation for fluid dynamics, generalized Newton's equations for molecular dynamics (MD) or coarse-grained dynamics and equation of motion for elastic dynamics. Unlike the classical PB equation, our PB equation is an integral-differential equation due to solvent-solute interactions. To illustrate the proposed formalism, we have explicitly constructed three models, a multidomain solvation model, a multidomain charge transport model and a multidomain chemo-electro-fluid-MD-elastic model. Each solute domain is equipped with distinct surface tension, pressure, dielectric function, and charge density distribution. In addition to long-range Coulombic interactions, various non-electrostatic solvent-solute interactions are considered in the present modeling. We demonstrate the consistency between the non-equilibrium charge transport model and the equilibrium solvation model by showing the systematical reduction of the former to the latter at equilibrium. This paper also offers a brief review of the field. PMID:25382892

  1. Multiscale Multiphysics and Multidomain Models I: Basic Theory.

    PubMed

    Wei, Guo-Wei

    2013-12-01

    This work extends our earlier two-domain formulation of a differential geometry based multiscale paradigm into a multidomain theory, which endows us the ability to simultaneously accommodate multiphysical descriptions of aqueous chemical, physical and biological systems, such as fuel cells, solar cells, nanofluidics, ion channels, viruses, RNA polymerases, molecular motors and large macromolecular complexes. The essential idea is to make use of the differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain of solvent from the microscopic domain of solute, and dynamically couple continuum and discrete descriptions. Our main strategy is to construct energy functionals to put on an equal footing of multiphysics, including polar (i.e., electrostatic) solvation, nonpolar solvation, chemical potential, quantum mechanics, fluid mechanics, molecular mechanics, coarse grained dynamics and elastic dynamics. The variational principle is applied to the energy functionals to derive desirable governing equations, such as multidomain Laplace-Beltrami (LB) equations for macromolecular morphologies, multidomain Poisson-Boltzmann (PB) equation or Poisson equation for electrostatic potential, generalized Nernst-Planck (NP) equations for the dynamics of charged solvent species, generalized Navier-Stokes (NS) equation for fluid dynamics, generalized Newton's equations for molecular dynamics (MD) or coarse-grained dynamics and equation of motion for elastic dynamics. Unlike the classical PB equation, our PB equation is an integral-differential equation due to solvent-solute interactions. To illustrate the proposed formalism, we have explicitly constructed three models, a multidomain solvation model, a multidomain charge transport model and a multidomain chemo-electro-fluid-MD-elastic model. Each solute domain is equipped with distinct surface tension, pressure, dielectric function, and charge density distribution. In addition to long-range Coulombic interactions, various non-electrostatic solvent-solute interactions are considered in the present modeling. We demonstrate the consistency between the non-equilibrium charge transport model and the equilibrium solvation model by showing the systematical reduction of the former to the latter at equilibrium. This paper also offers a brief review of the field.

  2. Dynamical Systems in Psychology: Linguistic Approaches

    NASA Astrophysics Data System (ADS)

    Sulis, William

    Major goals for psychoanalysis and psychology are the description, analysis, prediction, and control of behaviour. Natural language has long provided the medium for the formulation of our theoretical understanding of behavior. But with the advent of nonlinear dynamics, a new language has appeared which offers promise to provide a quantitative theory of behaviour. In this paper, some of the limitations of natural and formal languages are discussed. Several approaches to understanding the links between natural and formal languages, as applied to the study of behavior, are discussed. These include symbolic dynamics, Moore's generalized shifts, Crutchfield's ɛ machines, and dynamical automata.

  3. Fractional Generalizations of Maxwell and Kelvin-Voigt Models for Biopolymer Characterization

    PubMed Central

    Jóźwiak, Bertrand; Orczykowska, Magdalena; Dziubiński, Marek

    2015-01-01

    The paper proposes a fractional generalization of the Maxwell and Kelvin-Voigt rheological models for a description of dynamic behavior of biopolymer materials. It was found that the rheological models of Maxwell-type do not work in the case of modeling of viscoelastic solids, and the model which significantly better describes the nature of changes in rheological properties of such media is the modified fractional Kelvin-Voigt model with two built-in springpots (MFKVM2). The proposed model was used to describe the experimental data from the oscillatory and creep tests of 3% (w/v) kuzu starch pastes, and to determine the values of their rheological parameters as a function of pasting time. These parameters provide a lot of additional information about structure and viscoelastic properties of the medium in comparison to the classical analysis of dynamic curves G’ and G” and shear creep compliance J(t). It allowed for a comprehensive description of a wide range of properties of kuzu starch pastes, depending on the conditions of pasting process. PMID:26599756

  4. Dynamics of heterogeneous oscillator ensembles in terms of collective variables

    NASA Astrophysics Data System (ADS)

    Pikovsky, Arkady; Rosenblum, Michael

    2011-04-01

    We consider general heterogeneous ensembles of phase oscillators, sine coupled to arbitrary external fields. Starting with the infinitely large ensembles, we extend the Watanabe-Strogatz theory, valid for identical oscillators, to cover the case of an arbitrary parameter distribution. The obtained equations yield the description of the ensemble dynamics in terms of collective variables and constants of motion. As a particular case of the general setup we consider hierarchically organized ensembles, consisting of a finite number of subpopulations, whereas the number of elements in a subpopulation can be both finite or infinite. Next, we link the Watanabe-Strogatz and Ott-Antonsen theories and demonstrate that the latter one corresponds to a particular choice of constants of motion. The approach is applied to the standard Kuramoto-Sakaguchi model, to its extension for the case of nonlinear coupling, and to the description of two interacting subpopulations, exhibiting a chimera state. With these examples we illustrate that, although the asymptotic dynamics can be found within the framework of the Ott-Antonsen theory, the transients depend on the constants of motion. The most dramatic effect is the dependence of the basins of attraction of different synchronous regimes on the initial configuration of phases.

  5. Steepest entropy ascent model for far-nonequilibrium thermodynamics: Unified implementation of the maximum entropy production principle

    NASA Astrophysics Data System (ADS)

    Beretta, Gian Paolo

    2014-10-01

    By suitable reformulations, we cast the mathematical frameworks of several well-known different approaches to the description of nonequilibrium dynamics into a unified formulation valid in all these contexts, which extends to such frameworks the concept of steepest entropy ascent (SEA) dynamics introduced by the present author in previous works on quantum thermodynamics. Actually, the present formulation constitutes a generalization also for the quantum thermodynamics framework. The analysis emphasizes that in the SEA modeling principle a key role is played by the geometrical metric with respect to which to measure the length of a trajectory in state space. In the near-thermodynamic-equilibrium limit, the metric tensor is directly related to the Onsager's generalized resistivity tensor. Therefore, through the identification of a suitable metric field which generalizes the Onsager generalized resistance to the arbitrarily far-nonequilibrium domain, most of the existing theories of nonequilibrium thermodynamics can be cast in such a way that the state exhibits the spontaneous tendency to evolve in state space along the path of SEA compatible with the conservation constraints and the boundary conditions. The resulting unified family of SEA dynamical models is intrinsically and strongly consistent with the second law of thermodynamics. The non-negativity of the entropy production is a general and readily proved feature of SEA dynamics. In several of the different approaches to nonequilibrium description we consider here, the SEA concept has not been investigated before. We believe it defines the precise meaning and the domain of general validity of the so-called maximum entropy production principle. Therefore, it is hoped that the present unifying approach may prove useful in providing a fresh basis for effective, thermodynamically consistent, numerical models and theoretical treatments of irreversible conservative relaxation towards equilibrium from far nonequilibrium states. The mathematical frameworks we consider are the following: (A) statistical or information-theoretic models of relaxation; (B) small-scale and rarefied gas dynamics (i.e., kinetic models for the Boltzmann equation); (C) rational extended thermodynamics, macroscopic nonequilibrium thermodynamics, and chemical kinetics; (D) mesoscopic nonequilibrium thermodynamics, continuum mechanics with fluctuations; and (E) quantum statistical mechanics, quantum thermodynamics, mesoscopic nonequilibrium quantum thermodynamics, and intrinsic quantum thermodynamics.

  6. Summer Study Program in Geophysical Fluid Dynamics 1989. General Circulation of the Oceans

    DTIC Science & Technology

    1989-11-01

    Description of the Surface Circulation 2.2 A Description of the Interior Circulation 2.3 Formation Sites and Circulation of Deepwater Masses 2.4 Mode...and atmosphere, we have to follow basic laws of physics which lead us to try to solve a series of conservation equations, Mass : Dp*+ P() Du. - , ’ O.j...r~--~)(18) where,= vorticity 0 - 1 Vertically integrated mass conservation gives which leads to T.3) (19) Using the fact that Ro, ;<<I, the lowest

  7. Density profiles of granular gases studied by molecular dynamics and Brownian bridges

    NASA Astrophysics Data System (ADS)

    Peñuñuri, F.; Montoya, J. A.; Carvente, O.

    2018-02-01

    Despite the inherent frictional forces and dissipative collisions, confined granular matter can be regarded as a system in a stationary state if we inject energy continuously. Under these conditions, both the density and the granular temperature are, in general, non-monotonic variables along the height of the container. In consequence, an analytical description of a granular system is hard to conceive. Here, by using molecular dynamics simulations, we measure the packing fraction profiles for a vertically vibrating three-dimensional granular system in several gaseous-like stationary states. We show that by using the Brownian bridge concept, the determined packing fraction profiles can be reproduced accurately and give a complete description of the distribution of the particles inside the simulation box.

  8. Dynamical quantum phase transitions: a review

    NASA Astrophysics Data System (ADS)

    Heyl, Markus

    2018-05-01

    Quantum theory provides an extensive framework for the description of the equilibrium properties of quantum matter. Yet experiments in quantum simulators have now opened up a route towards the generation of quantum states beyond this equilibrium paradigm. While these states promise to show properties not constrained by equilibrium principles, such as the equal a priori probability of the microcanonical ensemble, identifying the general properties of nonequilibrium quantum dynamics remains a major challenge, especially in view of the lack of conventional concepts such as free energies. The theory of dynamical quantum phase transitions attempts to identify such general principles by lifting the concept of phase transitions to coherent quantum real-time evolution. This review provides a pedagogical introduction to this field. Starting from the general setting of nonequilibrium dynamics in closed quantum many-body systems, we give the definition of dynamical quantum phase transitions as phase transitions in time with physical quantities becoming nonanalytic at critical times. We summarize the achieved theoretical advances as well as the first experimental observations, and furthermore provide an outlook to major open questions as well as future directions of research.

  9. Dynamical quantum phase transitions: a review.

    PubMed

    Heyl, Markus

    2018-05-01

    Quantum theory provides an extensive framework for the description of the equilibrium properties of quantum matter. Yet experiments in quantum simulators have now opened up a route towards the generation of quantum states beyond this equilibrium paradigm. While these states promise to show properties not constrained by equilibrium principles, such as the equal a priori probability of the microcanonical ensemble, identifying the general properties of nonequilibrium quantum dynamics remains a major challenge, especially in view of the lack of conventional concepts such as free energies. The theory of dynamical quantum phase transitions attempts to identify such general principles by lifting the concept of phase transitions to coherent quantum real-time evolution. This review provides a pedagogical introduction to this field. Starting from the general setting of nonequilibrium dynamics in closed quantum many-body systems, we give the definition of dynamical quantum phase transitions as phase transitions in time with physical quantities becoming nonanalytic at critical times. We summarize the achieved theoretical advances as well as the first experimental observations, and furthermore provide an outlook to major open questions as well as future directions of research.

  10. Rotation-invariant image and video description with local binary pattern features.

    PubMed

    Zhao, Guoying; Ahonen, Timo; Matas, Jiří; Pietikäinen, Matti

    2012-04-01

    In this paper, we propose a novel approach to compute rotation-invariant features from histograms of local noninvariant patterns. We apply this approach to both static and dynamic local binary pattern (LBP) descriptors. For static-texture description, we present LBP histogram Fourier (LBP-HF) features, and for dynamic-texture recognition, we present two rotation-invariant descriptors computed from the LBPs from three orthogonal planes (LBP-TOP) features in the spatiotemporal domain. LBP-HF is a novel rotation-invariant image descriptor computed from discrete Fourier transforms of LBP histograms. The approach can be also generalized to embed any uniform features into this framework, and combining the supplementary information, e.g., sign and magnitude components of the LBP, together can improve the description ability. Moreover, two variants of rotation-invariant descriptors are proposed to the LBP-TOP, which is an effective descriptor for dynamic-texture recognition, as shown by its recent success in different application problems, but it is not rotation invariant. In the experiments, it is shown that the LBP-HF and its extensions outperform noninvariant and earlier versions of the rotation-invariant LBP in the rotation-invariant texture classification. In experiments on two dynamic-texture databases with rotations or view variations, the proposed video features can effectively deal with rotation variations of dynamic textures (DTs). They also are robust with respect to changes in viewpoint, outperforming recent methods proposed for view-invariant recognition of DTs.

  11. First experimental test of a trace formula for billiard systems showing mixed dynamics.

    PubMed

    Dembowski, C; Gräf, H D; Heine, A; Hesse, T; Rehfeld, H; Richter, A

    2001-04-09

    In general, trace formulas relate the density of states for a given quantum mechanical system to the properties of the periodic orbits of its classical counterpart. Here we report for the first time on a semiclassical description of microwave spectra taken from superconducting billiards of the Limaçon family showing mixed dynamics in terms of a generalized trace formula derived by Ullmo et al. [Phys. Rev. E 54, 136 (1996)]. This expression not only describes mixed-typed behavior but also the limiting cases of fully regular and fully chaotic systems and thus presents a continuous interpolation between the Berry-Tabor and Gutzwiller formulas.

  12. Structure and dynamics of aqueous solutions from PBE-based first-principles molecular dynamics simulations.

    PubMed

    Pham, Tuan Anh; Ogitsu, Tadashi; Lau, Edmond Y; Schwegler, Eric

    2016-10-21

    Establishing an accurate and predictive computational framework for the description of complex aqueous solutions is an ongoing challenge for density functional theory based first-principles molecular dynamics (FPMD) simulations. In this context, important advances have been made in recent years, including the development of sophisticated exchange-correlation functionals. On the other hand, simulations based on simple generalized gradient approximation (GGA) functionals remain an active field, particularly in the study of complex aqueous solutions due to a good balance between the accuracy, computational expense, and the applicability to a wide range of systems. Such simulations are often performed at elevated temperatures to artificially "correct" for GGA inaccuracies in the description of liquid water; however, a detailed understanding of how the choice of temperature affects the structure and dynamics of other components, such as solvated ions, is largely unknown. To address this question, we carried out a series of FPMD simulations at temperatures ranging from 300 to 460 K for liquid water and three representative aqueous solutions containing solvated Na + , K + , and Cl - ions. We show that simulations at 390-400 K with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional yield water structure and dynamics in good agreement with experiments at ambient conditions. Simultaneously, this computational setup provides ion solvation structures and ion effects on water dynamics consistent with experiments. Our results suggest that an elevated temperature around 390-400 K with the PBE functional can be used for the description of structural and dynamical properties of liquid water and complex solutions with solvated ions at ambient conditions.

  13. Ultrafast dynamics induced by the interaction of molecules with electromagnetic fields: Several quantum, semiclassical, and classical approaches.

    PubMed

    Antipov, Sergey V; Bhattacharyya, Swarnendu; El Hage, Krystel; Xu, Zhen-Hao; Meuwly, Markus; Rothlisberger, Ursula; Vaníček, Jiří

    2017-11-01

    Several strategies for simulating the ultrafast dynamics of molecules induced by interactions with electromagnetic fields are presented. After a brief overview of the theory of molecule-field interaction, we present several representative examples of quantum, semiclassical, and classical approaches to describe the ultrafast molecular dynamics, including the multiconfiguration time-dependent Hartree method, Bohmian dynamics, local control theory, semiclassical thawed Gaussian approximation, phase averaging, dephasing representation, molecular mechanics with proton transfer, and multipolar force fields. In addition to the general overview, some focus is given to the description of nuclear quantum effects and to the direct dynamics, in which the ab initio energies and forces acting on the nuclei are evaluated on the fly. Several practical applications, performed within the framework of the Swiss National Center of Competence in Research "Molecular Ultrafast Science and Technology," are presented: These include Bohmian dynamics description of the collision of H with H 2 , local control theory applied to the photoinduced ultrafast intramolecular proton transfer, semiclassical evaluation of vibrationally resolved electronic absorption, emission, photoelectron, and time-resolved stimulated emission spectra, infrared spectroscopy of H-bonding systems, and multipolar force fields applications in the condensed phase.

  14. Ultrafast dynamics induced by the interaction of molecules with electromagnetic fields: Several quantum, semiclassical, and classical approaches

    PubMed Central

    Antipov, Sergey V.; Bhattacharyya, Swarnendu; El Hage, Krystel; Xu, Zhen-Hao; Meuwly, Markus; Rothlisberger, Ursula; Vaníček, Jiří

    2018-01-01

    Several strategies for simulating the ultrafast dynamics of molecules induced by interactions with electromagnetic fields are presented. After a brief overview of the theory of molecule-field interaction, we present several representative examples of quantum, semiclassical, and classical approaches to describe the ultrafast molecular dynamics, including the multiconfiguration time-dependent Hartree method, Bohmian dynamics, local control theory, semiclassical thawed Gaussian approximation, phase averaging, dephasing representation, molecular mechanics with proton transfer, and multipolar force fields. In addition to the general overview, some focus is given to the description of nuclear quantum effects and to the direct dynamics, in which the ab initio energies and forces acting on the nuclei are evaluated on the fly. Several practical applications, performed within the framework of the Swiss National Center of Competence in Research “Molecular Ultrafast Science and Technology,” are presented: These include Bohmian dynamics description of the collision of H with H2, local control theory applied to the photoinduced ultrafast intramolecular proton transfer, semiclassical evaluation of vibrationally resolved electronic absorption, emission, photoelectron, and time-resolved stimulated emission spectra, infrared spectroscopy of H-bonding systems, and multipolar force fields applications in the condensed phase. PMID:29376107

  15. Sequential visibility-graph motifs

    NASA Astrophysics Data System (ADS)

    Iacovacci, Jacopo; Lacasa, Lucas

    2016-04-01

    Visibility algorithms transform time series into graphs and encode dynamical information in their topology, paving the way for graph-theoretical time series analysis as well as building a bridge between nonlinear dynamics and network science. In this work we introduce and study the concept of sequential visibility-graph motifs, smaller substructures of n consecutive nodes that appear with characteristic frequencies. We develop a theory to compute in an exact way the motif profiles associated with general classes of deterministic and stochastic dynamics. We find that this simple property is indeed a highly informative and computationally efficient feature capable of distinguishing among different dynamics and robust against noise contamination. We finally confirm that it can be used in practice to perform unsupervised learning, by extracting motif profiles from experimental heart-rate series and being able, accordingly, to disentangle meditative from other relaxation states. Applications of this general theory include the automatic classification and description of physical, biological, and financial time series.

  16. Dynamics of Deformable Active Particles under External Flow Field

    NASA Astrophysics Data System (ADS)

    Tarama, Mitsusuke

    2017-10-01

    In most practical situations, active particles are affected by their environment, for example, by a chemical concentration gradient, light intensity, gravity, or confinement. In particular, the effect of an external flow field is important for particles swimming in a solvent fluid. For deformable active particles such as self-propelled liquid droplets and active vesicles, as well as microorganisms such as euglenas and neutrophils, a general description has been developed by focusing on shape deformation. In this review, we present our recent studies concerning the dynamics of a single active deformable particle under an external flow field. First, a set of model equations of active deformable particles including the effect of a general external flow is introduced. Then, the dynamics under two specific flow profiles is discussed: a linear shear flow, as the simplest example, and a swirl flow. In the latter case, the scattering dynamics of the active deformable particles by the swirl flow is also considered.

  17. Field dynamics inference via spectral density estimation

    NASA Astrophysics Data System (ADS)

    Frank, Philipp; Steininger, Theo; Enßlin, Torsten A.

    2017-11-01

    Stochastic differential equations are of utmost importance in various scientific and industrial areas. They are the natural description of dynamical processes whose precise equations of motion are either not known or too expensive to solve, e.g., when modeling Brownian motion. In some cases, the equations governing the dynamics of a physical system on macroscopic scales occur to be unknown since they typically cannot be deduced from general principles. In this work, we describe how the underlying laws of a stochastic process can be approximated by the spectral density of the corresponding process. Furthermore, we show how the density can be inferred from possibly very noisy and incomplete measurements of the dynamical field. Generally, inverse problems like these can be tackled with the help of Information Field Theory. For now, we restrict to linear and autonomous processes. To demonstrate its applicability, we employ our reconstruction algorithm on a time-series and spatiotemporal processes.

  18. Field dynamics inference via spectral density estimation.

    PubMed

    Frank, Philipp; Steininger, Theo; Enßlin, Torsten A

    2017-11-01

    Stochastic differential equations are of utmost importance in various scientific and industrial areas. They are the natural description of dynamical processes whose precise equations of motion are either not known or too expensive to solve, e.g., when modeling Brownian motion. In some cases, the equations governing the dynamics of a physical system on macroscopic scales occur to be unknown since they typically cannot be deduced from general principles. In this work, we describe how the underlying laws of a stochastic process can be approximated by the spectral density of the corresponding process. Furthermore, we show how the density can be inferred from possibly very noisy and incomplete measurements of the dynamical field. Generally, inverse problems like these can be tackled with the help of Information Field Theory. For now, we restrict to linear and autonomous processes. To demonstrate its applicability, we employ our reconstruction algorithm on a time-series and spatiotemporal processes.

  19. Generating functionals and Gaussian approximations for interruptible delay reactions

    NASA Astrophysics Data System (ADS)

    Brett, Tobias; Galla, Tobias

    2015-10-01

    We develop a generating functional description of the dynamics of non-Markovian individual-based systems in which delay reactions can be terminated before completion. This generalizes previous work in which a path-integral approach was applied to dynamics in which delay reactions complete with certainty. We construct a more widely applicable theory, and from it we derive Gaussian approximations of the dynamics, valid in the limit of large, but finite, population sizes. As an application of our theory we study predator-prey models with delay dynamics due to gestation or lag periods to reach the reproductive age. In particular, we focus on the effects of delay on noise-induced cycles.

  20. Technical report series on global modeling and data assimilation. Volume 5: Documentation of the AIRES/GEOS dynamical core, version 2

    NASA Technical Reports Server (NTRS)

    Suarez, Max J. (Editor); Takacs, Lawrence L.

    1995-01-01

    A detailed description of the numerical formulation of Version 2 of the ARIES/GEOS 'dynamical core' is presented. This code is a nearly 'plug-compatible' dynamics for use in atmospheric general circulation models (GCMs). It is a finite difference model on a staggered latitude-longitude C-grid. It uses second-order differences for all terms except the advection of vorticity by the rotation part of the flow, which is done at fourth-order accuracy. This dynamical core is currently being used in the climate (ARIES) and data assimilation (GEOS) GCMs at Goddard.

  1. Tests of general relativity from gravitational wave observations of binary black holes

    NASA Astrophysics Data System (ADS)

    Del Pozzo, Walter

    2017-01-01

    Gravitational waves emitted during the coalescence of compact binary systems carry a wealth of information about the merging objects, the remnant object as well as their interaction with space-time. The description of the dynamics of such systems is based on solutions of the theory of general relativity. For any given physical configuration of masses, spins and orbital motion, general relativity predicts the dynamical evolution of the binary system as well as the corresponding gravitational wave signal. During the coalescence of extremely compact objects such as binary black holes, the typical curvature and velocity at play are such that, from the observation of the gravitational wave signal, we can access the most extreme dynamical regimes of gravity. In such conditions, we can test our understanding of gravity by looking for potential departures between the solutions of general relativity and the actual dynamics of space-time. The LIGO observations GW150914 and GW151226 provided wonderful testing grounds for general relativity in the, up to now unaccessible, strong-field dynamical regime of gravity. During my talk, I will review and discuss several of the tests that have been devised to detect violations of the predictions of general relativity from the observation of gravitational waves from coalescing binary systems. The discussion will be based on the results of the analysis of GW150914 and GW151226. Finally, I will conclude by discussing some of the future prospects of extending the current state-of-the-art methodologies to further aspects of general relativity.

  2. Discrete and Continuum Approximations for Collective Cell Migration in a Scratch Assay with Cell Size Dynamics.

    PubMed

    Matsiaka, Oleksii M; Penington, Catherine J; Baker, Ruth E; Simpson, Matthew J

    2018-04-01

    Scratch assays are routinely used to study the collective spreading of cell populations. In general, the rate at which a population of cells spreads is driven by the combined effects of cell migration and proliferation. To examine the effects of cell migration separately from the effects of cell proliferation, scratch assays are often performed after treating the cells with a drug that inhibits proliferation. Mitomycin-C is a drug that is commonly used to suppress cell proliferation in this context. However, in addition to suppressing cell proliferation, mitomycin-C also causes cells to change size during the experiment, as each cell in the population approximately doubles in size as a result of treatment. Therefore, to describe a scratch assay that incorporates the effects of cell-to-cell crowding, cell-to-cell adhesion, and dynamic changes in cell size, we present a new stochastic model that incorporates these mechanisms. Our agent-based stochastic model takes the form of a system of Langevin equations that is the system of stochastic differential equations governing the evolution of the population of agents. We incorporate a time-dependent interaction force that is used to mimic the dynamic increase in size of the agents. To provide a mathematical description of the average behaviour of the stochastic model we present continuum limit descriptions using both a standard mean-field approximation and a more sophisticated moment dynamics approximation that accounts for the density of agents and density of pairs of agents in the stochastic model. Comparing the accuracy of the two continuum descriptions for a typical scratch assay geometry shows that the incorporation of agent growth in the system is associated with a decrease in accuracy of the standard mean-field description. In contrast, the moment dynamics description provides a more accurate prediction of the evolution of the scratch assay when the increase in size of individual agents is included in the model.

  3. Ergodicity convergence test suggests telomere motion obeys fractional dynamics

    NASA Astrophysics Data System (ADS)

    Kepten, E.; Bronshtein, I.; Garini, Y.

    2011-04-01

    Anomalous diffusion, observed in many biological processes, is a generalized description of a wide variety of processes, all obeying the same law of mean-square displacement. Identifying the basic mechanisms of these observations is important for deducing the nature of the biophysical systems measured. We implement a previously suggested method for distinguishing between fractional Langevin dynamics, fractional Brownian motion, and continuous time random walk based on the ergodic nature of the data. We apply the method together with the recently suggested P-variation test and the displacement correlation to the lately measured dynamics of telomeres in the nucleus of mammalian cells and find strong evidence that the telomeres motion obeys fractional dynamics. The ergodic dynamics are observed experimentally to fit fractional Brownian or Langevin dynamics.

  4. Relaxation Dynamics in the Merging of N Independent Condensates

    NASA Astrophysics Data System (ADS)

    Aidelsburger, M.; Ville, J. L.; Saint-Jalm, R.; Nascimbène, S.; Dalibard, J.; Beugnon, J.

    2017-11-01

    Controlled quantum systems such as ultracold atoms can provide powerful platforms to study nonequilibrium dynamics of closed many-body quantum systems, especially since a complete theoretical description is generally challenging. In this Letter, we present a detailed study of the rich out-of-equilibrium dynamics of an adjustable number N of uncorrelated condensates after connecting them in a ring-shaped optical trap. We observe the formation of long-lived supercurrents and confirm the scaling of their winding number with N in agreement with the geodesic rule. Moreover, we provide insight into the microscopic mechanism that underlies the smoothening of the phase profile.

  5. 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.

  6. De-biasing the dynamic mode decomposition for applied Koopman spectral analysis of noisy datasets

    NASA Astrophysics Data System (ADS)

    Hemati, Maziar S.; Rowley, Clarence W.; Deem, Eric A.; Cattafesta, Louis N.

    2017-08-01

    The dynamic mode decomposition (DMD)—a popular method for performing data-driven Koopman spectral analysis—has gained increased popularity for extracting dynamically meaningful spatiotemporal descriptions of fluid flows from snapshot measurements. Often times, DMD descriptions can be used for predictive purposes as well, which enables informed decision-making based on DMD model forecasts. Despite its widespread use and utility, DMD can fail to yield accurate dynamical descriptions when the measured snapshot data are imprecise due to, e.g., sensor noise. Here, we express DMD as a two-stage algorithm in order to isolate a source of systematic error. We show that DMD's first stage, a subspace projection step, systematically introduces bias errors by processing snapshots asymmetrically. To remove this systematic error, we propose utilizing an augmented snapshot matrix in a subspace projection step, as in problems of total least-squares, in order to account for the error present in all snapshots. The resulting unbiased and noise-aware total DMD (TDMD) formulation reduces to standard DMD in the absence of snapshot errors, while the two-stage perspective generalizes the de-biasing framework to other related methods as well. TDMD's performance is demonstrated in numerical and experimental fluids examples. In particular, in the analysis of time-resolved particle image velocimetry data for a separated flow, TDMD outperforms standard DMD by providing dynamical interpretations that are consistent with alternative analysis techniques. Further, TDMD extracts modes that reveal detailed spatial structures missed by standard DMD.

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

    Bravetti, Alessandro, E-mail: alessandro.bravetti@iimas.unam.mx; Cruz, Hans, E-mail: hans@ciencias.unam.mx; Tapias, Diego, E-mail: diego.tapias@nucleares.unam.mx

    In this work we introduce contact Hamiltonian mechanics, an extension of symplectic Hamiltonian mechanics, and show that it is a natural candidate for a geometric description of non-dissipative and dissipative systems. For this purpose we review in detail the major features of standard symplectic Hamiltonian dynamics and show that all of them can be generalized to the contact case.

  8. ONE-ATMOSPHERE DYNAMICS DESCRIPTION IN THE MODELS-3 COMMUNITY MULTI-SCALE QUALITY (CMAQ) MODELING SYSTEM

    EPA Science Inventory

    This paper proposes a general procedure to link meteorological data with air quality models, such as U.S. EPA's Models-3 Community Multi-scale Air Quality (CMAQ) modeling system. CMAQ is intended to be used for studying multi-scale (urban and regional) and multi-pollutant (ozon...

  9. A framework for quantification of groundwater dynamics - concepts and hydro(geo-)logical metrics

    NASA Astrophysics Data System (ADS)

    Haaf, Ezra; Heudorfer, Benedikt; Stahl, Kerstin; Barthel, Roland

    2017-04-01

    Fluctuation patterns in groundwater hydrographs are generally assumed to contain information on aquifer characteristics, climate and environmental controls. However, attempts to disentangle this information and map the dominant controls have been few. This is due to the substantial heterogeneity and complexity of groundwater systems, which is reflected in the abundance of morphologies of groundwater time series. To describe the structure and shape of hydrographs, descriptive terms like "slow"/ "fast" or "flashy"/ "inert" are frequently used, which are subjective, irreproducible and limited. This lack of objective and refined concepts limit approaches for regionalization of hydrogeological characteristics as well as our understanding of dominant processes controlling groundwater dynamics. Therefore, we propose a novel framework for groundwater hydrograph characterization in an attempt to categorize morphologies explicitly and quantitatively based on perceptual concepts of aspects of the dynamics. This quantitative framework is inspired by the existing and operational eco-hydrological classification frameworks for streamflow. The need for a new framework for groundwater systems is justified by the fundamental differences between the state variable groundwater head and the flow variable streamflow. Conceptually, we extracted exemplars of specific dynamic patterns, attributing descriptive terms for means of systematisation. Metrics, primarily taken from streamflow literature, were subsequently adapted to groundwater and assigned to the described patterns for means of quantification. In this study, we focused on the particularities of groundwater as a state variable. Furthermore, we investigated the descriptive skill of individual metrics as well as their usefulness for groundwater hydrographs. The ensemble of categorized metrics result in a framework, which can be used to describe and quantify groundwater dynamics. It is a promising tool for the setup of a successful similarity classification framework for groundwater hydrographs. However, the overabundance of metrics available calls for a systematic redundancy analysis of the metrics, which we describe in a second study (Heudorfer et al., 2017). Heudorfer, B., Haaf, E., Barthel, R., Stahl, K., 2017. A framework for quantification of groundwater dynamics - redundancy and transferability of hydro(geo-)logical metrics. EGU General Assembly 2017, Vienna, Austria.

  10. Analysis of pilot control strategy

    NASA Technical Reports Server (NTRS)

    Heffley, R. K.; Hanson, G. D.; Jewell, W. F.; Clement, W. F.

    1983-01-01

    Methods for nonintrusive identification of pilot control strategy and task execution dynamics are presented along with examples based on flight data. The specific analysis technique is Nonintrusive Parameter Identification Procedure (NIPIP), which is described in a companion user's guide (NASA CR-170398). Quantification of pilot control strategy and task execution dynamics is discussed in general terms followed by a more detailed description of how NIPIP can be applied. The examples are based on flight data obtained from the NASA F-8 digital fly by wire airplane. These examples involve various piloting tasks and control axes as well as a demonstration of how the dynamics of the aircraft itself are identified using NIPIP. Application of NIPIP to the AFTI/F-16 flight test program is discussed. Recommendations are made for flight test applications in general and refinement of NIPIP to include interactive computer graphics.

  11. A concept for a fuel efficient flight planning aid for general aviation

    NASA Technical Reports Server (NTRS)

    Collins, B. P.; Haines, A. L.; Wales, C. J.

    1982-01-01

    A core equation for estimation of fuel burn from path profile data was developed. This equation was used as a necessary ingredient in a dynamic program to define a fuel efficient flight path. The resultant algorithm is oriented toward use by general aviation. The pilot provides a description of the desired ground track, standard aircraft parameters, and weather at selected waypoints. The algorithm then derives the fuel efficient altitudes and velocities at the waypoints.

  12. Doppler-broadened NICE-OHMS beyond the cavity-limited weak absorption condition - I. Theoretical description

    NASA Astrophysics Data System (ADS)

    Ma, Weiguang; Silander, Isak; Hausmaninger, Thomas; Axner, Ove

    2016-01-01

    Doppler-broadened (Db) noise-immune cavity-enhanced optical heterodyne molecular spectrometry (NICE-OHMS) is conventionally described by an expression (here referred to as the CONV expression) that is restricted to the case when the single-pass absorbance, α0L, is much smaller than the empty cavity losses, π/F [here termed the conventional cavity-limited weak absorption (CCLWA) condition]. This limits the applicability of the technique, primarily its dynamic range and calibration capability. To remedy this, this work derives extended descriptions of Db NICE-OHMS that are not restricted to the CCLWA condition. First, the general principles of Db NICE-OHMS are scrutinized in some detail. Based solely upon a set of general assumptions, predominantly that it is appropriate to linearize the Beer-Lambert law, that the light is modulated to a triplet, and that the Pound-Drever-Hall sidebands are fully reflected, a general description of Db NICE-OHMS that is not limited to any specific restriction on α0L vs. π/F, here referred to as the FULL description, is derived. However, this description constitutes a set of equations to which no closed form solution has been found. Hence, it needs to be solved numerically (by iterations), which is inconvenient. To circumvent this, for the cases when α0L<π/F but without the requirement that the stronger CCLWA condition needs to be fulfilled, a couple of simplified extended expressions that are expressible in closed analytical form, referred to as the extended locking and extended transmission description, ELET, and the extended locking and full transmission description, ELFT, have been derived. An analysis based on simulations validates the various descriptions and assesses to which extent they agree. It is shown that in the CCLWA limit, all extended descriptions revert to the CONV expression. The latter one deviates though from the extended ones for α0L around and above 0.1π/F. The two simplified extended descriptions agree with the FULL description for a larger range of α0 L than the CONV expression, viz. for the ELET description for α0L up to 0.3π/F and for ELFT for α0L up to 0.6 or 1.0 π/F (depending on the mode of detection). It is then demonstrated that the conventional view of Db NICE-OHMS, which states that the out-of-phase and the in-phase signals can be referred to as a pure absorption and dispersion signal, respectively, breaks down when the CCLWA condition does not hold. In this case, the out-of-phase signal is additionally affected by the phase shifts of the laser components (i.e. dispersion) while the in-phase signal is also influenced by their attenuation. Access to new descriptions broadens considerably the dynamic range of Db NICE-OHMS and facilitates calibration using standard references samples, and thereby its applicability.

  13. Structure and dynamics of aqueous solutions from PBE-based first-principles molecular dynamics simulations

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

    Pham, Tuan Anh; Ogitsu, Tadashi; Lau, Edmond Y.

    Establishing an accurate and predictive computational framework for the description of complex aqueous solutions is an ongoing challenge for density functional theory based first-principles molecular dynamics (FPMD) simulations. In this context, important advances have been made in recent years, including the development of sophisticated exchange-correlation functionals. On the other hand, simulations based on simple generalized gradient approximation (GGA) functionals remain an active field, particularly in the study of complex aqueous solutions due to a good balance between the accuracy, computational expense, and the applicability to a wide range of systems. In such simulations we often perform them at elevated temperaturesmore » to artificially “correct” for GGA inaccuracies in the description of liquid water; however, a detailed understanding of how the choice of temperature affects the structure and dynamics of other components, such as solvated ions, is largely unknown. In order to address this question, we carried out a series of FPMD simulations at temperatures ranging from 300 to 460 K for liquid water and three representative aqueous solutions containing solvated Na +, K +, and Cl - ions. We show that simulations at 390–400 K with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional yield water structure and dynamics in good agreement with experiments at ambient conditions. Simultaneously, this computational setup provides ion solvation structures and ion effects on water dynamics consistent with experiments. These results suggest that an elevated temperature around 390–400 K with the PBE functional can be used for the description of structural and dynamical properties of liquid water and complex solutions with solvated ions at ambient conditions.« less

  14. Structure and dynamics of aqueous solutions from PBE-based first-principles molecular dynamics simulations

    DOE PAGES

    Pham, Tuan Anh; Ogitsu, Tadashi; Lau, Edmond Y.; ...

    2016-10-17

    Establishing an accurate and predictive computational framework for the description of complex aqueous solutions is an ongoing challenge for density functional theory based first-principles molecular dynamics (FPMD) simulations. In this context, important advances have been made in recent years, including the development of sophisticated exchange-correlation functionals. On the other hand, simulations based on simple generalized gradient approximation (GGA) functionals remain an active field, particularly in the study of complex aqueous solutions due to a good balance between the accuracy, computational expense, and the applicability to a wide range of systems. In such simulations we often perform them at elevated temperaturesmore » to artificially “correct” for GGA inaccuracies in the description of liquid water; however, a detailed understanding of how the choice of temperature affects the structure and dynamics of other components, such as solvated ions, is largely unknown. In order to address this question, we carried out a series of FPMD simulations at temperatures ranging from 300 to 460 K for liquid water and three representative aqueous solutions containing solvated Na +, K +, and Cl - ions. We show that simulations at 390–400 K with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional yield water structure and dynamics in good agreement with experiments at ambient conditions. Simultaneously, this computational setup provides ion solvation structures and ion effects on water dynamics consistent with experiments. These results suggest that an elevated temperature around 390–400 K with the PBE functional can be used for the description of structural and dynamical properties of liquid water and complex solutions with solvated ions at ambient conditions.« less

  15. A painless and constraint-free method to estimate viscoelastic passive dynamics of limbs' joints to support diagnosis of neuromuscular diseases.

    PubMed

    Venture, Gentiane; Nakamura, Yoshihiko; Yamane, Katsu; Hirashima, Masaya

    2007-01-01

    Though seldom identified, the human joints dynamics is important in the fields of medical robotics and medical research. We present a general solution to estimate in-vivo and simultaneously the passive dynamics of the human limbs' joints. It is based on the use of the multi-body description of the human body and its kinematics and dynamics computations. The linear passive joint dynamics of the shoulders and the elbows: stiffness, viscosity and friction, is estimated simultaneously using the linear least squares method. Acquisition of movements is achieved with an optical motion capture studio on one examinee during the clinical diagnosis of neuromuscular diseases. Experimental results are given and discussed.

  16. π-kink propagation in the damped Frenkel-Kontorova model

    NASA Astrophysics Data System (ADS)

    Alfaro-Bittner, K.; Clerc, M. G.; García-Ñustes, M. A.; Rojas, R. G.

    2017-08-01

    Coupled dissipative nonlinear oscillators exhibit complex spatiotemporal dynamics. Frenkel-Kontorova is a prototype model of coupled nonlinear oscillators, which exhibits coexistence between stable and unstable state. This model accounts for several physical systems such as the movement of atoms in condensed matter and magnetic chains, dynamics of coupled pendulums, and phase dynamics between superconductors. Here, we investigate kinks propagation into an unstable state in the Frenkel-Kontorova model with dissipation. We show that unlike point-like particles π-kinks spread in a pulsating manner. Using numerical simulations, we have characterized the shape of the π-kink oscillation. Different parts of the front propagate with the same mean speed, oscillating with the same frequency but different amplitude. The asymptotic behavior of this propagation allows us to determine the minimum mean speed of fronts analytically as a function of the coupling constant. A generalization of the Peierls-Nabarro potential is introduced to obtain an effective continuous description of the system. Numerical simulations show quite fair agreement between the Frenkel-Kontorova model and the proposed continuous description.

  17. Twist of generalized skyrmions and spin vortices in a polariton superfluid

    PubMed Central

    Donati, Stefano; Dominici, Lorenzo; Dagvadorj, Galbadrakh; Ballarini, Dario; De Giorgi, Milena; Bramati, Alberto; Gigli, Giuseppe; Rubo, Yuri G.; Szymańska, Marzena Hanna; Sanvitto, Daniele

    2016-01-01

    We study the spin vortices and skyrmions coherently imprinted into an exciton–polariton condensate on a planar semiconductor microcavity. We demonstrate that the presence of a polarization anisotropy can induce a complex dynamics of these structured topologies, leading to the twist of their circuitation on the Poincaré sphere of polarizations. The theoretical description of the results carries the concept of generalized quantum vortices in two-component superfluids, which are conformal with polarization loops around an arbitrary axis in the pseudospin space. PMID:27965393

  18. Twist of generalized skyrmions and spin vortices in a polariton superfluid.

    PubMed

    Donati, Stefano; Dominici, Lorenzo; Dagvadorj, Galbadrakh; Ballarini, Dario; De Giorgi, Milena; Bramati, Alberto; Gigli, Giuseppe; Rubo, Yuri G; Szymańska, Marzena Hanna; Sanvitto, Daniele

    2016-12-27

    We study the spin vortices and skyrmions coherently imprinted into an exciton-polariton condensate on a planar semiconductor microcavity. We demonstrate that the presence of a polarization anisotropy can induce a complex dynamics of these structured topologies, leading to the twist of their circuitation on the Poincaré sphere of polarizations. The theoretical description of the results carries the concept of generalized quantum vortices in two-component superfluids, which are conformal with polarization loops around an arbitrary axis in the pseudospin space.

  19. Improving the effectiveness of ecological site descriptions: General state-and-transition models and the Ecosystem Dynamics Interpretive Tool (EDIT)

    USDA-ARS?s Scientific Manuscript database

    State-and-transition models (STMs) were conceived as a means to organize and communicate information about ecosystem changes and how to manage them. Information within STMs applies to ecological land classes, such as ecological sites, that possess similar vegetation states. The value of STMs for ran...

  20. Abstract of Lectures

    NASA Technical Reports Server (NTRS)

    Froidevaux, Lucien

    1993-01-01

    Three lectures will be given. The first one will draw from the general literature on microwave sounding from space. The next two will focus on a description of the Microwave Limb Sounder (MLS) and results obtained from its measurements relating to atmospheric chemistry and dynamics; this will draw from material recently published (or soon-to-be published) by the MLS team.

  1. Reversing the irreversible: From limit cycles to emergent time symmetry

    NASA Astrophysics Data System (ADS)

    Cortês, Marina; Smolin, Lee

    2018-01-01

    In 1979 Penrose hypothesized that the arrows of time are explained by the hypothesis that the fundamental laws are time irreversible [R. Penrose, in General Relativity: An Einstein Centenary Survey (1979)]. That is, our reversible laws, such as the standard model and general relativity are effective, and emerge from an underlying fundamental theory which is time irreversible. In [M. Cortês and L. Smolin, Phys. Rev. D 90, 084007 (2014), 10.1103/PhysRevD.90.084007; 90, 044035 (2014), 10.1103/PhysRevD.90.044035; 93, 084039 (2016), 10.1103/PhysRevD.93.084039] we put forward a research program aiming at realizing just this. The aim is to find a fundamental description of physics above the Planck scale, based on irreversible laws, from which will emerge the apparently reversible dynamics we observe on intermediate scales. Here we continue that program and note that a class of discrete dynamical systems are known to exhibit this very property: they have an underlying discrete irreversible evolution, but in the long term exhibit the properties of a time reversible system, in the form of limit cycles. We connect this to our original model proposal in [M. Cortês and L. Smolin, Phys. Rev. D 90, 084007 (2014), 10.1103/PhysRevD.90.084007], and show that the behaviors obtained there can be explained in terms of the same phenomenon: the attraction of the system to a basin of limit cycles, where the dynamics appears to be time reversible. Further than that, we show that our original models exhibit the very same feature: the emergence of quasiparticle excitations obtained in the earlier work in the space-time description is an expression of the system's convergence to limit cycles when seen in the causal set description.

  2. The Use of Non-Standard Devices in Finite Element Analysis

    NASA Technical Reports Server (NTRS)

    Schur, Willi W.; Broduer, Steve (Technical Monitor)

    2001-01-01

    A general mathematical description of the response behavior of thin-skin pneumatic envelopes and many other membrane and cable structures produces under-constrained systems that pose severe difficulties to analysis. These systems are mobile, and the general mathematical description exposes the mobility. Yet the response behavior of special under-constrained structures under special loadings can be accurately predicted using a constrained mathematical description. The static response behavior of systems that are infinitesimally mobile, such as a non-slack membrane subtended from a rigid or elastic boundary frame, can be easily analyzed using such general mathematical description as afforded by the non-linear, finite element method using an implicit solution scheme if the incremental uploading is guided through a suitable path. Similarly, if such structures are assembled with structural lack of fit that provides suitable self-stress, then dynamic response behavior can be predicted by the non-linear, finite element method and an implicit solution scheme. An explicit solution scheme is available for evolution problems. Such scheme can be used via the method of dynamic relaxation to obtain the solution to a static problem. In some sense, pneumatic envelopes and many other compliant structures can be said to have destiny under a specified loading system. What that means to the analyst is that what happens on the evolution path of the solution is irrelevant as long as equilibrium is achieved at destiny under full load and that the equilibrium is stable in the vicinity of that load. The purpose of this paper is to alert practitioners to the fact that non-standard procedures in finite element analysis are useful and can be legitimate although they burden their users with the requirement to use special caution. Some interesting findings that are useful to the US Scientific Balloon Program and that could not be obtained without non-standard techniques are presented.

  3. COPS: Large-scale nonlinearly constrained optimization problems

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

    Bondarenko, A.S.; Bortz, D.M.; More, J.J.

    2000-02-10

    The authors have started the development of COPS, a collection of large-scale nonlinearly Constrained Optimization Problems. The primary purpose of this collection is to provide difficult test cases for optimization software. Problems in the current version of the collection come from fluid dynamics, population dynamics, optimal design, and optimal control. For each problem they provide a short description of the problem, notes on the formulation of the problem, and results of computational experiments with general optimization solvers. They currently have results for DONLP2, LANCELOT, MINOS, SNOPT, and LOQO.

  4. Determination of functional collective motions in a protein at atomic resolution using coherent neutron scattering

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

    Hong, Liang; Jain, Nitin; Cheng, Xiaolin

    Protein function often depends on global, collective internal motions. However, the simultaneous quantitative experimental determination of the forms, amplitudes, and time scales of these motions has remained elusive. We demonstrate that a complete description of these large-scale dynamic modes can be obtained using coherent neutron-scattering experiments on perdeuterated samples. With this approach, a microscopic relationship between the structure, dynamics, and function in a protein, cytochrome P450cam, is established. The approach developed here should be of general applicability to protein systems.

  5. Determination of functional collective motions in a protein at atomic resolution using coherent neutron scattering

    DOE PAGES

    Hong, Liang; Jain, Nitin; Cheng, Xiaolin; ...

    2016-10-14

    Protein function often depends on global, collective internal motions. However, the simultaneous quantitative experimental determination of the forms, amplitudes, and time scales of these motions has remained elusive. We demonstrate that a complete description of these large-scale dynamic modes can be obtained using coherent neutron-scattering experiments on perdeuterated samples. With this approach, a microscopic relationship between the structure, dynamics, and function in a protein, cytochrome P450cam, is established. The approach developed here should be of general applicability to protein systems.

  6. Nonlinear Dynamics on Interconnected Networks

    NASA Astrophysics Data System (ADS)

    Arenas, Alex; De Domenico, Manlio

    2016-06-01

    Networks of dynamical interacting units can represent many complex systems, from the human brain to transportation systems and societies. The study of these complex networks, when accounting for different types of interactions has become a subject of interest in the last few years, especially because its representational power in the description of users' interactions in diverse online social platforms (Facebook, Twitter, Instagram, etc.) [1], or in representing different transportation modes in urban networks [2,3]. The general name coined for these networks is multilayer networks, where each layer accounts for a type of interaction (see Fig. 1).

  7. Literal algebra for satellite dynamics. [perturbation analysis

    NASA Technical Reports Server (NTRS)

    Gaposchkin, E. M.

    1975-01-01

    A description of the rather general class of operations available is given and the operations are related to problems in satellite dynamics. The implementation of an algebra processor is discussed. The four main categories of symbol processors are related to list processing, string manipulation, symbol manipulation, and formula manipulation. Fundamental required operations for an algebra processor are considered. It is pointed out that algebra programs have been used for a number of problems in celestial mechanics with great success. The advantage of computer algebra is its accuracy and speed.

  8. Force and Moment Approach for Achievable Dynamics Using Nonlinear Dynamic Inversion

    NASA Technical Reports Server (NTRS)

    Ostroff, Aaron J.; Bacon, Barton J.

    1999-01-01

    This paper describes a general form of nonlinear dynamic inversion control for use in a generic nonlinear simulation to evaluate candidate augmented aircraft dynamics. The implementation is specifically tailored to the task of quickly assessing an aircraft's control power requirements and defining the achievable dynamic set. The achievable set is evaluated while undergoing complex mission maneuvers, and perfect tracking will be accomplished when the desired dynamics are achievable. Variables are extracted directly from the simulation model each iteration, so robustness is not an issue. Included in this paper is a description of the implementation of the forces and moments from simulation variables, the calculation of control effectiveness coefficients, methods for implementing different types of aerodynamic and thrust vectoring controls, adjustments for control effector failures, and the allocation approach used. A few examples illustrate the perfect tracking results obtained.

  9. Dynamics of polymers: A mean-field theory

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

    Fredrickson, Glenn H.; Materials Research Laboratory, University of California, Santa Barbara, California 93106; Department of Materials, University of California, Santa Barbara, California 93106

    2014-02-28

    We derive a general mean-field theory of inhomogeneous polymer dynamics; a theory whose form has been speculated and widely applied, but not heretofore derived. Our approach involves a functional integral representation of a Martin-Siggia-Rose (MSR) type description of the exact many-chain dynamics. A saddle point approximation to the generating functional, involving conditions where the MSR action is stationary with respect to a collective density field ρ and a conjugate MSR response field ϕ, produces the desired dynamical mean-field theory. Besides clarifying the proper structure of mean-field theory out of equilibrium, our results have implications for numerical studies of polymer dynamicsmore » involving hybrid particle-field simulation techniques such as the single-chain in mean-field method.« less

  10. Recursive flexible multibody system dynamics using spatial operators

    NASA Technical Reports Server (NTRS)

    Jain, A.; Rodriguez, G.

    1992-01-01

    This paper uses spatial operators to develop new spatially recursive dynamics algorithms for flexible multibody systems. The operator description of the dynamics is identical to that for rigid multibody systems. Assumed-mode models are used for the deformation of each individual body. The algorithms are based on two spatial operator factorizations of the system mass matrix. The first (Newton-Euler) factorization of the mass matrix leads to recursive algorithms for the inverse dynamics, mass matrix evaluation, and composite-body forward dynamics for the systems. The second (innovations) factorization of the mass matrix, leads to an operator expression for the mass matrix inverse and to a recursive articulated-body forward dynamics algorithm. The primary focus is on serial chains, but extensions to general topologies are also described. A comparison of computational costs shows that the articulated-body, forward dynamics algorithm is much more efficient than the composite-body algorithm for most flexible multibody systems.

  11. Fundamental Processes in Plasmas

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

    Driscoll, Charles Fred

    This Final Technical Report gives brief summaries of the plasma physics results developed under DOE grant DE-SC0002451; and provides reference to the published journal articles giving full scientific descriptions. General topics include 1) cyclotron modes; 2) damping and decay of Langmuir modes; 3) 2D vortex dynamics and diocotron modes; 4) separatrix-induced transport and damping; and 5) long-range collisional velocity slowing.

  12. Non-Equilibrium Properties from Equilibrium Free Energy Calculations

    NASA Technical Reports Server (NTRS)

    Pohorille, Andrew; Wilson, Michael A.

    2012-01-01

    Calculating free energy in computer simulations is of central importance in statistical mechanics of condensed media and its applications to chemistry and biology not only because it is the most comprehensive and informative quantity that characterizes the eqUilibrium state, but also because it often provides an efficient route to access dynamic and kinetic properties of a system. Most of applications of equilibrium free energy calculations to non-equilibrium processes rely on a description in which a molecule or an ion diffuses in the potential of mean force. In general case this description is a simplification, but it might be satisfactorily accurate in many instances of practical interest. This hypothesis has been tested in the example of the electrodiffusion equation . Conductance of model ion channels has been calculated directly through counting the number of ion crossing events observed during long molecular dynamics simulations and has been compared with the conductance obtained from solving the generalized Nernst-Plank equation. It has been shown that under relatively modest conditions the agreement between these two approaches is excellent, thus demonstrating the assumptions underlying the diffusion equation are fulfilled. Under these conditions the electrodiffusion equation provides an efficient approach to calculating the full voltage-current dependence routinely measured in electrophysiological experiments.

  13. Few-particle quantum dynamics-comparing nonequilibrium Green functions with the generalized Kadanoff-Baym ansatz to density operator theory

    NASA Astrophysics Data System (ADS)

    Hermanns, S.; Balzer, K.; Bonitz, M.

    2013-03-01

    The nonequilibrium description of quantum systems requires, for more than two or three particles, the use of a reduced description to be numerically tractable. Two possible approaches are based on either reduced density matrices or nonequilibrium Green functions (NEGF). Both concepts are formulated in terms of hierarchies of coupled equations—the Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) hierarchy for the reduced density operators and the Martin-Schwinger-hierarchy (MS) for the Green functions, respectively. In both cases, similar approximations are introduced to decouple the hierarchy, yet still many questions regarding the correspondence of both approaches remain open. Here we analyze this correspondence by studying the generalized Kadanoff-Baym ansatz (GKBA) that reduces the NEGF to a single-time theory. Starting from the BBGKY-hierarchy we present the approximations that are necessary to recover the GKBA result both, with Hartree-Fock propagators (HF-GKBA) and propagators in second Born approximation. To test the quality of the HF-GKBA, we study the dynamics of a 4-electron Hubbard nanocluster starting from a strong nonequilibrium initial state and compare to exact results and the Wang-Cassing approximation to the BBGKY hierarchy presented recently by Akbari et al. [1].

  14. NMR signals within the generalized Langevin model for fractional Brownian motion

    NASA Astrophysics Data System (ADS)

    Lisý, Vladimír; Tóthová, Jana

    2018-03-01

    The methods of Nuclear Magnetic Resonance belong to the best developed and often used tools for studying random motion of particles in different systems, including soft biological tissues. In the long-time limit the current mathematical description of the experiments allows proper interpretation of measurements of normal and anomalous diffusion. The shorter-time dynamics is however correctly considered only in a few works that do not go beyond the standard memoryless Langevin description of the Brownian motion (BM). In the present work, the attenuation function S (t) for an ensemble of spin-bearing particles in a magnetic-field gradient, expressed in a form applicable for any kind of stationary stochastic dynamics of spins with or without a memory, is calculated in the frame of the model of fractional BM. The solution of the model for particles trapped in a harmonic potential is obtained in an exceedingly simple way and used for the calculation of S (t). In the limit of free particles coupled to a fractal heat bath, the results compare favorably with experiments acquired in human neuronal tissues. The effect of the trap is demonstrated by introducing a simple model for the generalized diffusion coefficient of the particle.

  15. Frontiers of Theoretical Research on Shape Memory Alloys: A General Overview

    NASA Astrophysics Data System (ADS)

    Chowdhury, Piyas

    2018-03-01

    In this concise review, general aspects of modeling shape memory alloys (SMAs) are recounted. Different approaches are discussed under four general categories, namely, (a) macro-phenomenological, (b) micromechanical, (c) molecular dynamics, and (d) first principles models. Macro-phenomenological theories, stemming from empirical formulations depicting continuum elastic, plastic, and phase transformation, are primarily of engineering interest, whereby the performance of SMA-made components is investigated. Micromechanical endeavors are generally geared towards understanding microstructural phenomena within continuum mechanics such as the accommodation of straining due to phase change as well as role of precipitates. By contrast, molecular dynamics, being a more recently emerging computational technique, concerns attributes of discrete lattice structures, and thus captures SMA deformation mechanism by means of empirically reconstructing interatomic bonding forces. Finally, ab initio theories utilize quantum mechanical framework to peek into atomistic foundation of deformation, and can pave the way for studying the role of solid-sate effects. With specific examples, this paper provides concise descriptions of each category along with their relative merits and emphases.

  16. Parallel O(N) Stokes’ solver towards scalable Brownian dynamics of hydrodynamically interacting objects in general geometries

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

    Zhao, Xujun; Li, Jiyuan; Jiang, Xikai

    An efficient parallel Stokes’s solver is developed towards the complete inclusion of hydrodynamic interactions of Brownian particles in any geometry. A Langevin description of the particle dynamics is adopted, where the long-range interactions are included using a Green’s function formalism. We present a scalable parallel computational approach, where the general geometry Stokeslet is calculated following a matrix-free algorithm using the General geometry Ewald-like method. Our approach employs a highly-efficient iterative finite element Stokes’ solver for the accurate treatment of long-range hydrodynamic interactions within arbitrary confined geometries. A combination of mid-point time integration of the Brownian stochastic differential equation, the parallelmore » Stokes’ solver, and a Chebyshev polynomial approximation for the fluctuation-dissipation theorem result in an O(N) parallel algorithm. We also illustrate the new algorithm in the context of the dynamics of confined polymer solutions in equilibrium and non-equilibrium conditions. Our method is extended to treat suspended finite size particles of arbitrary shape in any geometry using an Immersed Boundary approach.« less

  17. Parallel O(N) Stokes’ solver towards scalable Brownian dynamics of hydrodynamically interacting objects in general geometries

    DOE PAGES

    Zhao, Xujun; Li, Jiyuan; Jiang, Xikai; ...

    2017-06-29

    An efficient parallel Stokes’s solver is developed towards the complete inclusion of hydrodynamic interactions of Brownian particles in any geometry. A Langevin description of the particle dynamics is adopted, where the long-range interactions are included using a Green’s function formalism. We present a scalable parallel computational approach, where the general geometry Stokeslet is calculated following a matrix-free algorithm using the General geometry Ewald-like method. Our approach employs a highly-efficient iterative finite element Stokes’ solver for the accurate treatment of long-range hydrodynamic interactions within arbitrary confined geometries. A combination of mid-point time integration of the Brownian stochastic differential equation, the parallelmore » Stokes’ solver, and a Chebyshev polynomial approximation for the fluctuation-dissipation theorem result in an O(N) parallel algorithm. We also illustrate the new algorithm in the context of the dynamics of confined polymer solutions in equilibrium and non-equilibrium conditions. Our method is extended to treat suspended finite size particles of arbitrary shape in any geometry using an Immersed Boundary approach.« less

  18. A formulation for studying dynamics of N connected flexible deployable members

    NASA Astrophysics Data System (ADS)

    Ibrahim, A. M.; Modi, V. J.

    A relatively general formulation for studying dynamics of a system, consisting of N connected flexible deployable members (beams, plates, shells, membranes, strings) forming a topological tree or a closed configuration, is presented. The mathematical description of the system can be, in general, a combination of discrete and distributed coordinates. Joints, elastic and dissipative, permit relative rotation and translation between bodies. The elastic deformations (lateral, axial, and torsional) can be discretized using admissible functions, finite elements or lumped mass method. Rotations of the members, as well as of the entire system, can be described using a set of orientation angles, Euler parameters or Rodrigues vectors. The formulation accounts for: the presence of momentum or reaction wheels (gimballed or fixed); thrusters distributed over the flexible and rigid portions; and any prescribed forms of energy dissipation mechanisms. Of course, the generalized forces can simulate desired environmental effects. The formulation is valid for orbiting as well as ground based and marine systems. Application of the formulation is illustrated through several examples, in spacecraft dynamics, which are of contemporary interest.

  19. Description of Hydration Water in Protein (Green Fluorescent Protein) Solution

    DOE PAGES

    Perticaroli, Stefania; Ehlers, Georg; Stanley, Christopher B.; ...

    2016-10-26

    The structurally and dynamically perturbed hydration shells that surround proteins and biomolecules have a substantial influence upon their function and stability. This makes the extent and degree of water perturbation of practical interest for general biological study and industrial formulation. Here, we present an experimental description of the dynamical perturbation of hydration water around green fluorescent protein in solution. Less than two shells (~5.5 Å) were perturbed, with dynamics a factor of 2–10 times slower than bulk water, depending on their distance from the protein surface and the probe length of the measurement. Furthermore, this dependence on probe length demonstratesmore » that hydration water undergoes subdiffusive motions (τ ∝ q –2.5 for the first hydration shell, τ ∝ q –2.3 for perturbed water in the second shell), an important difference with neat water, which demonstrates diffusive behavior (τ ∝ q –2). Our results help clarify the seemingly conflicting range of values reported for hydration water retardation as a logical consequence of the different length scales probed by the analytical techniques used.« less

  20. Dynamic current susceptibility as a probe of Majorana bound states in nanowire-based Josephson junctions

    NASA Astrophysics Data System (ADS)

    Trif, Mircea; Dmytruk, Olesia; Bouchiat, Hélène; Aguado, Ramón; Simon, Pascal

    2018-02-01

    We theoretically study a Josephson junction based on a semiconducting nanowire subject to a time-dependent flux bias. We establish a general density-matrix approach for the dynamical response of the Majorana junction and calculate the resulting flux-dependent susceptibility using both microscopic and effective low-energy descriptions for the nanowire. We find that the diagonal component of the susceptibility, associated with the dynamics of the Majorana state populations, dominates over the standard Kubo contribution for a wide range of experimentally relevant parameters. The diagonal term, explored, in this Rapid Communication, in the context of Majorana physics, allows probing accurately the presence of Majorana bound states in the junction.

  1. Anharmonic quantum mechanical systems do not feature phase space trajectories

    NASA Astrophysics Data System (ADS)

    Oliva, Maxime; Kakofengitis, Dimitris; Steuernagel, Ole

    2018-07-01

    Phase space dynamics in classical mechanics is described by transport along trajectories. Anharmonic quantum mechanical systems do not allow for a trajectory-based description of their phase space dynamics. This invalidates some approaches to quantum phase space studies. We first demonstrate the absence of trajectories in general terms. We then give an explicit proof for all quantum phase space distributions with negative values: we show that the generation of coherences in anharmonic quantum mechanical systems is responsible for the occurrence of singularities in their phase space velocity fields, and vice versa. This explains numerical problems repeatedly reported in the literature, and provides deeper insight into the nature of quantum phase space dynamics.

  2. Multi-state trajectory approach to non-adiabatic dynamics: General formalism and the active state trajectory approximation

    NASA Astrophysics Data System (ADS)

    Tao, Guohua

    2017-07-01

    A general theoretical framework is derived for the recently developed multi-state trajectory (MST) approach from the time dependent Schrödinger equation, resulting in equations of motion for coupled nuclear-electronic dynamics equivalent to Hamilton dynamics or Heisenberg equation based on a new multistate Meyer-Miller (MM) model. The derived MST formalism incorporates both diabatic and adiabatic representations as limiting cases and reduces to Ehrenfest or Born-Oppenheimer dynamics in the mean-field or the single-state limits, respectively. In the general multistate formalism, nuclear dynamics is represented in terms of a set of individual state-specific trajectories, while in the active state trajectory (AST) approximation, only one single nuclear trajectory on the active state is propagated with its augmented images running on all other states. The AST approximation combines the advantages of consistent nuclear-coupled electronic dynamics in the MM model and the single nuclear trajectory in the trajectory surface hopping (TSH) treatment and therefore may provide a potential alternative to both Ehrenfest and TSH methods. The resulting algorithm features in a consistent description of coupled electronic-nuclear dynamics and excellent numerical stability. The implementation of the MST approach to several benchmark systems involving multiple nonadiabatic transitions and conical intersection shows reasonably good agreement with exact quantum calculations, and the results in both representations are similar in accuracy. The AST treatment also reproduces the exact results reasonably, sometimes even quantitatively well, with a better performance in the adiabatic representation.

  3. Entropic Description of Gas Hydrate Ice-Liquid Equilibrium via Enhanced Sampling of Coexisting Phases

    NASA Astrophysics Data System (ADS)

    Małolepsza, Edyta; Kim, Jaegil; Keyes, Tom

    2015-05-01

    Metastable β ice holds small guest molecules in stable gas hydrates, so its solid-liquid equilibrium is of interest. However, aqueous crystal-liquid transitions are very difficult to simulate. A new molecular dynamics algorithm generates trajectories in a generalized N P T ensemble and equilibrates states of coexisting phases with a selectable enthalpy. With replicas spanning the range between β ice and liquid water, we find the statistical temperature from the enthalpy histograms and characterize the transition by the entropy, introducing a general computational procedure for first-order transitions.

  4. Spacecraft attitude determination accuracy from mission experience

    NASA Technical Reports Server (NTRS)

    Brasoveanu, D.; Hashmall, J.; Baker, D.

    1994-01-01

    This document presents a compilation of the attitude accuracy attained by a number of satellites that have been supported by the Flight Dynamics Facility (FDF) at Goddard Space Flight Center (GSFC). It starts with a general description of the factors that influence spacecraft attitude accuracy. After brief descriptions of the missions supported, it presents the attitude accuracy results for currently active and older missions, including both three-axis stabilized and spin-stabilized spacecraft. The attitude accuracy results are grouped by the sensor pair used to determine the attitudes. A supplementary section is also included, containing the results of theoretical computations of the effects of variation of sensor accuracy on overall attitude accuracy.

  5. Recursive dynamics for flexible multibody systems using spatial operators

    NASA Technical Reports Server (NTRS)

    Jain, A.; Rodriguez, G.

    1990-01-01

    Due to their structural flexibility, spacecraft and space manipulators are multibody systems with complex dynamics and possess a large number of degrees of freedom. Here the spatial operator algebra methodology is used to develop a new dynamics formulation and spatially recursive algorithms for such flexible multibody systems. A key feature of the formulation is that the operator description of the flexible system dynamics is identical in form to the corresponding operator description of the dynamics of rigid multibody systems. A significant advantage of this unifying approach is that it allows ideas and techniques for rigid multibody systems to be easily applied to flexible multibody systems. The algorithms use standard finite-element and assumed modes models for the individual body deformation. A Newton-Euler Operator Factorization of the mass matrix of the multibody system is first developed. It forms the basis for recursive algorithms such as for the inverse dynamics, the computation of the mass matrix, and the composite body forward dynamics for the system. Subsequently, an alternative Innovations Operator Factorization of the mass matrix, each of whose factors is invertible, is developed. It leads to an operator expression for the inverse of the mass matrix, and forms the basis for the recursive articulated body forward dynamics algorithm for the flexible multibody system. For simplicity, most of the development here focuses on serial chain multibody systems. However, extensions of the algorithms to general topology flexible multibody systems are described. While the computational cost of the algorithms depends on factors such as the topology and the amount of flexibility in the multibody system, in general, it appears that in contrast to the rigid multibody case, the articulated body forward dynamics algorithm is the more efficient algorithm for flexible multibody systems containing even a small number of flexible bodies. The variety of algorithms described here permits a user to choose the algorithm which is optimal for the multibody system at hand. The availability of a number of algorithms is even more important for real-time applications, where implementation on parallel processors or custom computing hardware is often necessary to maximize speed.

  6. An analysis of household waste management policy using system dynamics modelling.

    PubMed

    Inghels, Dirk; Dullaert, Wout

    2011-04-01

    This paper analyses the Flemish household waste management policy. Based on historical data from the period 1991-2006, literature reviews and interviews, both mathematical and descriptive relationships are derived that describe Flemish waste collection, reuse, recycling and disposal behaviour. This provides insights into how gross domestic product (GDP), population and selective collection behaviour have influenced household waste production and collection over time. These relationships are used to model the dynamic relationships underlying household waste management in Flanders by using a system dynamics (SD) modelling approach. Where most SD models in literature are conceptual and descriptive, in the present study a real-life case with both correlational and descriptive relationships was modelled for Flanders, a European region with an outstanding waste management track record. This model was used to evaluate the current Flemish household waste management policy based on the principles of the waste hierarchy, also referred as the Lansink ranking. The results show that Flemish household waste targets up to 2015 can be achieved by the current waste policy measures. It also shows the sensitivity of some key policy parameters such as prevention and reuse. Given the general nature of the model and its limited data requirements, the authors believe that the approach implemented in this model can also assist waste policy makers in other regions or countries to meet their policy targets by simulating the effect of their current and potential household waste policy measures.

  7. Human interaction with an intelligent computer in multi-task situations

    NASA Technical Reports Server (NTRS)

    Rouse, W. B.

    1975-01-01

    A general formulation of human decision making in multiple task situations is presented. It includes a description of the state, event, and action space in which the multiple task supervisor operates. A specific application to a failure detection and correction situation is discussed and results of a simulation experiment presented. Issues considered include static vs. dynamic allocation of responsibility and competitive vs. cooperative intelligence.

  8. Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensemble

    NASA Astrophysics Data System (ADS)

    Zheng, Lixin; Chen, Mohan; Sun, Zhaoru; Ko, Hsin-Yu; Santra, Biswajit; Dhuvad, Pratikkumar; Wu, Xifan

    2018-04-01

    We perform ab initio molecular dynamics (AIMD) simulation of liquid water in the canonical ensemble at ambient conditions using the strongly constrained and appropriately normed (SCAN) meta-generalized-gradient approximation (GGA) functional approximation and carry out systematic comparisons with the results obtained from the GGA-level Perdew-Burke-Ernzerhof (PBE) functional and Tkatchenko-Scheffler van der Waals (vdW) dispersion correction inclusive PBE functional. We analyze various properties of liquid water including radial distribution functions, oxygen-oxygen-oxygen triplet angular distribution, tetrahedrality, hydrogen bonds, diffusion coefficients, ring statistics, density of states, band gaps, and dipole moments. We find that the SCAN functional is generally more accurate than the other two functionals for liquid water by not only capturing the intermediate-range vdW interactions but also mitigating the overly strong hydrogen bonds prescribed in PBE simulations. We also compare the results of SCAN-based AIMD simulations in the canonical and isothermal-isobaric ensembles. Our results suggest that SCAN provides a reliable description for most structural, electronic, and dynamical properties in liquid water.

  9. Uncovering low dimensional macroscopic chaotic dynamics of large finite size complex systems

    NASA Astrophysics Data System (ADS)

    Skardal, Per Sebastian; Restrepo, Juan G.; Ott, Edward

    2017-08-01

    In the last decade, it has been shown that a large class of phase oscillator models admit low dimensional descriptions for the macroscopic system dynamics in the limit of an infinite number N of oscillators. The question of whether the macroscopic dynamics of other similar systems also have a low dimensional description in the infinite N limit has, however, remained elusive. In this paper, we show how techniques originally designed to analyze noisy experimental chaotic time series can be used to identify effective low dimensional macroscopic descriptions from simulations with a finite number of elements. We illustrate and verify the effectiveness of our approach by applying it to the dynamics of an ensemble of globally coupled Landau-Stuart oscillators for which we demonstrate low dimensional macroscopic chaotic behavior with an effective 4-dimensional description. By using this description, we show that one can calculate dynamical invariants such as Lyapunov exponents and attractor dimensions. One could also use the reconstruction to generate short-term predictions of the macroscopic dynamics.

  10. Förster resonance energy transfer as a tool to study photoreceptor biology

    PubMed Central

    Hovan, Stephanie C.; Howell, Scott; Park, Paul S.-H.

    2010-01-01

    Vision is initiated in photoreceptor cells of the retina by a set of biochemical events called phototransduction. These events occur via coordinated dynamic processes that include changes in secondary messenger concentrations, conformational changes and post-translational modifications of signaling proteins, and protein-protein interactions between signaling partners. A complete description of the orchestration of these dynamic processes is still unavailable. Described in this work is the first step in the development of tools combining fluorescent protein technology, Förster resonance energy transfer (FRET), and transgenic animals that have the potential to reveal important molecular insights about the dynamic processes occurring in photoreceptor cells. We characterize the fluorescent proteins SCFP3A and SYFP2 for use as a donor-acceptor pair in FRET assays, which will facilitate the visualization of dynamic processes in living cells. We also demonstrate the targeted expression of these fluorescent proteins to the rod photoreceptor cells of Xenopus laevis, and describe a general method for detecting FRET in these cells. The general approaches described here can address numerous types of questions related to phototransduction and photoreceptor biology by providing a platform to visualize dynamic processes in molecular detail within a native context. PMID:21198205

  11. Unified theory of quantized electrons, phonons, and photons out of equilibrium: A simplified ab initio approach based on the generalized Baym-Kadanoff ansatz

    NASA Astrophysics Data System (ADS)

    de Melo, Pedro Miguel M. C.; Marini, Andrea

    2016-04-01

    We present a full ab initio description of the coupled out-of-equilibrium dynamics of photons, phonons, and electrons. In the present approach, the quantized nature of the electromagnetic field as well as of the nuclear oscillations is fully taken into account. The result is a set of integrodifferential equations, written on the Keldysh contour, for the Green's functions of electrons, phonons, and photons where the different kinds of interactions are merged together. We then concentrate on the electronic dynamics in order to reduce the problem to a computationally feasible approach. By using the generalized Baym-Kadanoff ansatz and the completed collision approximation, we introduce a series of efficient but controllable approximations. In this way, we reduce all equations to a set of decoupled equations for the density matrix that describe all kinds of static and dynamical correlations. The final result is a coherent, general, and inclusive scheme to calculate several physical quantities: carrier dynamics, transient photoabsorption, and light emission, all of which include, at the same time, electron-electron, electron-phonon, and electron-photon interactions. We further discuss how all these observables can be easily calculated within the present scheme using a fully atomistic ab initio approach.

  12. Recent progress in the microscopic description of small and large amplitude collective motion

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

    Lacroix, D., E-mail: lacroix@ipno.in2p3.fr; Tanimura, Y.; Ayik, S.

    2015-10-15

    Dynamical mean-field theory has recently attracted much interests to provide a unified framework for the description of many aspects of nuclear dynamics [1, 2, 3, 4, 5] (for recent reviews see [6, 7]). In particular, the inclusion of pairing correlation has opened new perspectives [8, 9, 10, 11, 12]. A summary of recent applications including giant resonances and transfer reactions will be made in this talk [13, 14, 15, 16]. While new progresses have been made with the use of sophisticated effective interactions and the development of symmetry unrestricted applications, mean-field dynamics suffer from the poor treatment of quantum fluctuationsmore » in collective space. As a consequence, these theories are successful in describing average properties of many different experimental observations but generally fail to account realistically for the width of experimental distribution. The increase of predictive power of dynamical mean-field theory is facing the difficulty of going beyond the independent particle or quasi-particle picture. Nevertheless, in the last decade, novel methods have been proposed to prepare the next generation of microscopic mean-field codes able to account for both average properties and fluctuations around the average. A review of recent progresses in this direction as well as recent applications to heavy-ion collisions will be given [17, 18].« less

  13. Embedding dynamical networks into distributed models

    NASA Astrophysics Data System (ADS)

    Innocenti, Giacomo; Paoletti, Paolo

    2015-07-01

    Large networks of interacting dynamical systems are well-known for the complex behaviours they are able to display, even when each node features a quite simple dynamics. Despite examples of such networks being widespread both in nature and in technological applications, the interplay between the local and the macroscopic behaviour, through the interconnection topology, is still not completely understood. Moreover, traditional analytical methods for dynamical response analysis fail because of the intrinsically large dimension of the phase space of the network which makes the general problem intractable. Therefore, in this paper we develop an approach aiming to condense all the information in a compact description based on partial differential equations. By focusing on propagative phenomena, rigorous conditions under which the original network dynamical properties can be successfully analysed within the proposed framework are derived as well. A network of Fitzhugh-Nagumo systems is finally used to illustrate the effectiveness of the proposed method.

  14. Nonperturbative Treatment of non-Markovian Dynamics of Open Quantum Systems

    NASA Astrophysics Data System (ADS)

    Tamascelli, D.; Smirne, A.; Huelga, S. F.; Plenio, M. B.

    2018-01-01

    We identify the conditions that guarantee equivalence of the reduced dynamics of an open quantum system (OQS) for two different types of environments—one a continuous bosonic environment leading to a unitary system-environment evolution and the other a discrete-mode bosonic environment resulting in a system-mode (nonunitary) Lindbladian evolution. Assuming initial Gaussian states for the environments, we prove that the two OQS dynamics are equivalent if both the expectation values and two-time correlation functions of the environmental interaction operators are the same at all times for the two configurations. Since the numerical and analytical description of a discrete-mode environment undergoing a Lindbladian evolution is significantly more efficient than that of a continuous bosonic environment in a unitary evolution, our result represents a powerful, nonperturbative tool to describe complex and possibly highly non-Markovian dynamics. As a special application, we recover and generalize the well-known pseudomodes approach to open-system dynamics.

  15. Quantum learning of classical stochastic processes: The completely positive realization problem

    NASA Astrophysics Data System (ADS)

    Monràs, Alex; Winter, Andreas

    2016-01-01

    Among several tasks in Machine Learning, a specially important one is the problem of inferring the latent variables of a system and their causal relations with the observed behavior. A paradigmatic instance of this is the task of inferring the hidden Markov model underlying a given stochastic process. This is known as the positive realization problem (PRP), [L. Benvenuti and L. Farina, IEEE Trans. Autom. Control 49(5), 651-664 (2004)] and constitutes a central problem in machine learning. The PRP and its solutions have far-reaching consequences in many areas of systems and control theory, and is nowadays an important piece in the broad field of positive systems theory. We consider the scenario where the latent variables are quantum (i.e., quantum states of a finite-dimensional system) and the system dynamics is constrained only by physical transformations on the quantum system. The observable dynamics is then described by a quantum instrument, and the task is to determine which quantum instrument — if any — yields the process at hand by iterative application. We take as a starting point the theory of quasi-realizations, whence a description of the dynamics of the process is given in terms of linear maps on state vectors and probabilities are given by linear functionals on the state vectors. This description, despite its remarkable resemblance with the hidden Markov model, or the iterated quantum instrument, is however devoid of any stochastic or quantum mechanical interpretation, as said maps fail to satisfy any positivity conditions. The completely positive realization problem then consists in determining whether an equivalent quantum mechanical description of the same process exists. We generalize some key results of stochastic realization theory, and show that the problem has deep connections with operator systems theory, giving possible insight to the lifting problem in quotient operator systems. Our results have potential applications in quantum machine learning, device-independent characterization and reverse-engineering of stochastic processes and quantum processors, and more generally, of dynamical processes with quantum memory [M. Guţă, Phys. Rev. A 83(6), 062324 (2011); M. Guţă and N. Yamamoto, e-print arXiv:1303.3771(2013)].

  16. Effective charges of ionic liquid determined self-consistently through combination of molecular dynamics simulation and density-functional theory.

    PubMed

    Ishizuka, Ryosuke; Matubayasi, Nobuyuki

    2017-11-15

    A self-consistent scheme combining the molecular dynamics (MD) simulation and density functional theory (DFT) was recently proposed to incorporate the effects of the charge transfer and polarization of ions into non-poralizable force fields of ionic liquids for improved description of energetics and dynamics. The purpose of the present work is to analyze the detailed setups of the MD/DFT scheme by focusing on how the basis set, exchange-correlation (XC) functional, charge-fitting method or force field for the intramolecular and Lennard-Jones interactions affects the MD/DFT results of 1,3-dimethylimidazolium bis(trifluoromethylsulfonyl) imide ( [C1mim][NTf2]) and 1-ethyl-3-methylimidazolium glycinate ( [C2mim][Gly]). It was found that the double-zeta valence polarized or larger size of basis set is required for the convergence of the effective charge of the ion. The choice of the XC functional was further not influential as far as the generalized gradient approximation is used. The charge-fitting method and force field govern the accuracy of the MD/DFT scheme, on the other hand. We examined the charge-fitting methods of Blöchl, the iterative Hirshfeld (Hirshfeld-I), and REPEAT in combination with Lopes et al.'s force field and general AMBER force field. There is no single combination of charge fitting and force field that provides good agreements with the experiments, while the MD/DFT scheme reduces the effective charges of the ions and leads to better description of energetics and dynamics compared to the original force field with unit charges. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  17. General framework for fluctuating dynamic density functional theory

    NASA Astrophysics Data System (ADS)

    Durán-Olivencia, Miguel A.; Yatsyshin, Peter; Goddard, Benjamin D.; Kalliadasis, Serafim

    2017-12-01

    We introduce a versatile bottom-up derivation of a formal theoretical framework to describe (passive) soft-matter systems out of equilibrium subject to fluctuations. We provide a unique connection between the constituent-particle dynamics of real systems and the time evolution equation of their measurable (coarse-grained) quantities, such as local density and velocity. The starting point is the full Hamiltonian description of a system of colloidal particles immersed in a fluid of identical bath particles. Then, we average out the bath via Zwanzig’s projection-operator techniques and obtain the stochastic Langevin equations governing the colloidal-particle dynamics. Introducing the appropriate definition of the local number and momentum density fields yields a generalisation of the Dean-Kawasaki (DK) model, which resembles the stochastic Navier-Stokes description of a fluid. Nevertheless, the DK equation still contains all the microscopic information and, for that reason, does not represent the dynamical law of observable quantities. We address this controversial feature of the DK description by carrying out a nonequilibrium ensemble average. Adopting a natural decomposition into local-equilibrium and nonequilibrium contribution, where the former is related to a generalised version of the canonical distribution, we finally obtain the fluctuating-hydrodynamic equation governing the time-evolution of the mesoscopic density and momentum fields. Along the way, we outline the connection between the ad hoc energy functional introduced in previous DK derivations and the free-energy functional from classical density-functional theory. The resultant equation has the structure of a dynamical density-functional theory (DDFT) with an additional fluctuating force coming from the random interactions with the bath. We show that our fluctuating DDFT formalism corresponds to a particular version of the fluctuating Navier-Stokes equations, originally derived by Landau and Lifshitz. Our framework thus provides the formal apparatus for ab initio derivations of fluctuating DDFT equations capable of describing the dynamics of soft-matter systems in and out of equilibrium.

  18. On the foundations of general relativistic celestial mechanics

    NASA Astrophysics Data System (ADS)

    Battista, Emmanuele; Esposito, Giampiero; Dell'Agnello, Simone

    2017-09-01

    Towards the end of nineteenth century, Celestial Mechanics provided the most powerful tools to test Newtonian gravity in the solar system and also led to the discovery of chaos in modern science. Nowadays, in light of general relativity, Celestial Mechanics leads to a new perspective on the motion of satellites and planets. The reader is here introduced to the modern formulation of the problem of motion, following what the leaders in the field have been teaching since the nineties, in particular, the use of a global chart for the overall dynamics of N bodies and N local charts describing the internal dynamics of each body. The next logical step studies in detail how to split the N-body problem into two sub-problems concerning the internal and external dynamics, how to achieve the effacement properties that would allow a decoupling of the two sub-problems, how to define external-potential-effacing coordinates and how to generalize the Newtonian multipole and tidal moments. The review paper ends with an assessment of the nonlocal equations of motion obtained within such a framework, a description of the modifications induced by general relativity on the theoretical analysis of the Newtonian three-body problem, and a mention of the potentialities of the analysis of solar-system metric data carried out with the Planetary Ephemeris Program.

  19. Pseudosatellite technologies based on the use of functionally stable complexes of remote-piloted aircrafts

    NASA Astrophysics Data System (ADS)

    Mashkov, O. A.; Samborskiy, I. I.

    2009-10-01

    A bundle of papers dealing with functionally stable systems requires the necessity of analyzing of obtained results and their understanding in a general context of cybernetic's development and applications. Description of this field of science, main results and perspectives of the new theory of functionally stability of dynamical systems concerning the problem of remote-piloted aircrafts engineering using pseudosatellite technologies are proposed in the paper.

  20. Physics of Artificial Gravity

    NASA Technical Reports Server (NTRS)

    Bukley, Angie; Paloski, William; Clement, Gilles

    2006-01-01

    This chapter discusses potential technologies for achieving artificial gravity in a space vehicle. We begin with a series of definitions and a general description of the rotational dynamics behind the forces ultimately exerted on the human body during centrifugation, such as gravity level, gravity gradient, and Coriolis force. Human factors considerations and comfort limits associated with a rotating environment are then discussed. Finally, engineering options for designing space vehicles with artificial gravity are presented.

  1. Extended quantification of the generalized recurrence plot

    NASA Astrophysics Data System (ADS)

    Riedl, Maik; Marwan, Norbert; Kurths, Jürgen

    2016-04-01

    The generalized recurrence plot is a modern tool for quantification of complex spatial patterns. Its application spans the analysis of trabecular bone structures, Turing structures, turbulent spatial plankton patterns, and fractals. But, it is also successfully applied to the description of spatio-temporal dynamics and the detection of regime shifts, such as in the complex Ginzburg-Landau- equation. The recurrence plot based determinism is a central measure in this framework quantifying the level of regularities in temporal and spatial structures. We extend this measure for the generalized recurrence plot considering additional operations of symmetry than the simple translation. It is tested not only on two-dimensional regular patterns and noise but also on complex spatial patterns reconstructing the parameter space of the complex Ginzburg-Landau-equation. The extended version of the determinism resulted in values which are consistent to the original recurrence plot approach. Furthermore, the proposed method allows a split of the determinism into parts which based on laminar and non-laminar regions of the two-dimensional pattern of the complex Ginzburg-Landau-equation. A comparison of these parts with a standard method of image classification, the co-occurrence matrix approach, shows differences especially in the description of patterns associated with turbulence. In that case, it seems that the extended version of the determinism allows a distinction of phase turbulence and defect turbulence by means of their spatial patterns. This ability of the proposed method promise new insights in other systems with turbulent dynamics coming from climatology, biology, ecology, and social sciences, for example.

  2. An analytical coarse-graining method which preserves the free energy, structural correlations, and thermodynamic state of polymer melts from the atomistic to the mesoscale.

    PubMed

    McCarty, J; Clark, A J; Copperman, J; Guenza, M G

    2014-05-28

    Structural and thermodynamic consistency of coarse-graining models across multiple length scales is essential for the predictive role of multi-scale modeling and molecular dynamic simulations that use mesoscale descriptions. Our approach is a coarse-grained model based on integral equation theory, which can represent polymer chains at variable levels of chemical details. The model is analytical and depends on molecular and thermodynamic parameters of the system under study, as well as on the direct correlation function in the k → 0 limit, c0. A numerical solution to the PRISM integral equations is used to determine c0, by adjusting the value of the effective hard sphere diameter, dHS, to agree with the predicted equation of state. This single quantity parameterizes the coarse-grained potential, which is used to perform mesoscale simulations that are directly compared with atomistic-level simulations of the same system. We test our coarse-graining formalism by comparing structural correlations, isothermal compressibility, equation of state, Helmholtz and Gibbs free energies, and potential energy and entropy using both united atom and coarse-grained descriptions. We find quantitative agreement between the analytical formalism for the thermodynamic properties, and the results of Molecular Dynamics simulations, independent of the chosen level of representation. In the mesoscale description, the potential energy of the soft-particle interaction becomes a free energy in the coarse-grained coordinates which preserves the excess free energy from an ideal gas across all levels of description. The structural consistency between the united-atom and mesoscale descriptions means the relative entropy between descriptions has been minimized without any variational optimization parameters. The approach is general and applicable to any polymeric system in different thermodynamic conditions.

  3. 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.

  4. Equation-oriented specification of neural models for simulations

    PubMed Central

    Stimberg, Marcel; Goodman, Dan F. M.; Benichoux, Victor; Brette, Romain

    2013-01-01

    Simulating biological neuronal networks is a core method of research in computational neuroscience. A full specification of such a network model includes a description of the dynamics and state changes of neurons and synapses, as well as the synaptic connectivity patterns and the initial values of all parameters. A standard approach in neuronal modeling software is to build network models based on a library of pre-defined components and mechanisms; if a model component does not yet exist, it has to be defined in a special-purpose or general low-level language and potentially be compiled and linked with the simulator. Here we propose an alternative approach that allows flexible definition of models by writing textual descriptions based on mathematical notation. We demonstrate that this approach allows the definition of a wide range of models with minimal syntax. Furthermore, such explicit model descriptions allow the generation of executable code for various target languages and devices, since the description is not tied to an implementation. Finally, this approach also has advantages for readability and reproducibility, because the model description is fully explicit, and because it can be automatically parsed and transformed into formatted descriptions. The presented approach has been implemented in the Brian2 simulator. PMID:24550820

  5. Implementation of Malaria Dynamic Models in Municipality Level Early Warning Systems in Colombia. Part I: Description of Study Sites

    PubMed Central

    Ruiz, Daniel; Cerón, Viviana; Molina, Adriana M.; Quiñónes, Martha L.; Jiménez, Mónica M.; Ahumada, Martha; Gutiérrez, Patricia; Osorio, Salua; Mantilla, Gilma; Connor, Stephen J.; Thomson, Madeleine C.

    2014-01-01

    As part of the Integrated National Adaptation Pilot project and the Integrated Surveillance and Control System, the Colombian National Institute of Health is working on the design and implementation of a Malaria Early Warning System framework, supported by seasonal climate forecasting capabilities, weather and environmental monitoring, and malaria statistical and dynamic models. In this report, we provide an overview of the local ecoepidemiologic settings where four malaria process-based mathematical models are currently being implemented at a municipal level. The description includes general characteristics, malaria situation (predominant type of infection, malaria-positive cases data, malaria incidence, and seasonality), entomologic conditions (primary and secondary vectors, mosquito densities, and feeding frequencies), climatic conditions (climatology and long-term trends), key drivers of epidemic outbreaks, and non-climatic factors (populations at risk, control campaigns, and socioeconomic conditions). Selected pilot sites exhibit different ecoepidemiologic settings that must be taken into account in the development of the integrated surveillance and control system. PMID:24891460

  6. Physiological time-series analysis: what does regularity quantify?

    NASA Technical Reports Server (NTRS)

    Pincus, S. M.; Goldberger, A. L.

    1994-01-01

    Approximate entropy (ApEn) is a recently developed statistic quantifying regularity and complexity that appears to have potential application to a wide variety of physiological and clinical time-series data. The focus here is to provide a better understanding of ApEn to facilitate its proper utilization, application, and interpretation. After giving the formal mathematical description of ApEn, we provide a multistep description of the algorithm as applied to two contrasting clinical heart rate data sets. We discuss algorithm implementation and interpretation and introduce a general mathematical hypothesis of the dynamics of a wide class of diseases, indicating the utility of ApEn to test this hypothesis. We indicate the relationship of ApEn to variability measures, the Fourier spectrum, and algorithms motivated by study of chaotic dynamics. We discuss further mathematical properties of ApEn, including the choice of input parameters, statistical issues, and modeling considerations, and we conclude with a section on caveats to ensure correct ApEn utilization.

  7. General description and understanding of the nonlinear dynamics of mode-locked fiber lasers.

    PubMed

    Wei, Huai; Li, Bin; Shi, Wei; Zhu, Xiushan; Norwood, Robert A; Peyghambarian, Nasser; Jian, Shuisheng

    2017-05-02

    As a type of nonlinear system with complexity, mode-locked fiber lasers are known for their complex behaviour. It is a challenging task to understand the fundamental physics behind such complex behaviour, and a unified description for the nonlinear behaviour and the systematic and quantitative analysis of the underlying mechanisms of these lasers have not been developed. Here, we present a complexity science-based theoretical framework for understanding the behaviour of mode-locked fiber lasers by going beyond reductionism. This hierarchically structured framework provides a model with variable dimensionality, resulting in a simple view that can be used to systematically describe complex states. Moreover, research into the attractors' basins reveals the origin of stochasticity, hysteresis and multistability in these systems and presents a new method for quantitative analysis of these nonlinear phenomena. These findings pave the way for dynamics analysis and system designs of mode-locked fiber lasers. We expect that this paradigm will also enable potential applications in diverse research fields related to complex nonlinear phenomena.

  8. Spinor description of D = 5 massless low-spin gauge fields

    NASA Astrophysics Data System (ADS)

    Uvarov, D. V.

    2016-07-01

    Spinor description for the curvatures of D = 5 Yang-Mills, Rarita-Schwinger and gravitational fields is elaborated. Restrictions imposed on the curvature spinors by the dynamical equations and Bianchi identities are analyzed. In the absence of sources symmetric curvature spinors with 2s indices obey first-order equations that in the linearized limit reduce to Dirac-type equations for massless free fields. These equations allow for a higher-spin generalization similarly to 4d case. Their solution in the form of the integral over Lorentz-harmonic variables parametrizing coset manifold {SO}(1,4)/({SO}(1,1)× {ISO}(3)) isomorphic to the three-sphere is considered. Superparticle model that contains such Lorentz harmonics as dynamical variables, as well as harmonics parametrizing the two-sphere {SU}(2)/U(1) is proposed. The states in its spectrum are given by the functions on S 3 that upon integrating over the Lorentz harmonics reproduce on-shell symmetric curvature spinors for various supermultiplets of D = 5 space-time supersymmetry.

  9. Extended generalized recurrence plot quantification of complex circular patterns

    NASA Astrophysics Data System (ADS)

    Riedl, Maik; Marwan, Norbert; Kurths, Jürgen

    2017-03-01

    The generalized recurrence plot is a modern tool for quantification of complex spatial patterns. Its application spans the analysis of trabecular bone structures, Turing patterns, turbulent spatial plankton patterns, and fractals. Determinism is a central measure in this framework quantifying the level of regularity of spatial structures. We show by basic examples of fully regular patterns of different symmetries that this measure underestimates the orderliness of circular patterns resulting from rotational symmetries. We overcome this crucial problem by checking additional structural elements of the generalized recurrence plot which is demonstrated with the examples. Furthermore, we show the potential of the extended quantity of determinism applying it to more irregular circular patterns which are generated by the complex Ginzburg-Landau-equation and which can be often observed in real spatially extended dynamical systems. So, we are able to reconstruct the main separations of the system's parameter space analyzing single snapshots of the real part only, in contrast to the use of the original quantity. This ability of the proposed method promises also an improved description of other systems with complicated spatio-temporal dynamics typically occurring in fluid dynamics, climatology, biology, ecology, social sciences, etc.

  10. Dynamic effects of root system architecture improve root water uptake in 1-D process-based soil-root hydrodynamics

    NASA Astrophysics Data System (ADS)

    Bouda, Martin; Saiers, James E.

    2017-12-01

    Root system architecture (RSA) can significantly affect plant access to water, total transpiration, as well as its partitioning by soil depth, with implications for surface heat, water, and carbon budgets. Despite recent advances in land surface model (LSM) descriptions of plant hydraulics, descriptions of RSA have not been included because of their three-dimensional complexity, which makes them generally too computationally costly. Here we demonstrate a new, process-based 1D layered model that captures the dynamic shifts in water potential gradients of 3D RSA under different soil moisture conditions: the RSA stencil. Using root systems calibrated to the rooting profiles of four plant functional types (PFT) of the Community Land Model, we show that the RSA stencil predicts plant water potentials within 2% to the outputs of a full 3D model, under the same assumptions on soil moisture heterogeneity, despite its trivial computational cost, resulting in improved predictions of water uptake and soil moisture compared to a model without RSA in a transient simulation. Our results suggest that LSM predictions of soil moisture dynamics and dependent variables can be improved by the implementation of this model, calibrated for individual PFTs using field observations.

  11. The threshold algorithm: Description of the methodology and new developments

    NASA Astrophysics Data System (ADS)

    Neelamraju, Sridhar; Oligschleger, Christina; Schön, J. Christian

    2017-10-01

    Understanding the dynamics of complex systems requires the investigation of their energy landscape. In particular, the flow of probability on such landscapes is a central feature in visualizing the time evolution of complex systems. To obtain such flows, and the concomitant stable states of the systems and the generalized barriers among them, the threshold algorithm has been developed. Here, we describe the methodology of this approach starting from the fundamental concepts in complex energy landscapes and present recent new developments, the threshold-minimization algorithm and the molecular dynamics threshold algorithm. For applications of these new algorithms, we draw on landscape studies of three disaccharide molecules: lactose, maltose, and sucrose.

  12. NERVA dynamic analysis methodology, SPRVIB

    NASA Technical Reports Server (NTRS)

    Vronay, D. F.

    1972-01-01

    The general dynamic computer code called SPRVIB (Spring Vib) developed in support of the NERVA (nuclear engine for rocket vehicle application) program is described. Using normal mode techniques, the program computes kinematical responses of a structure caused by various combinations of harmonic and elliptic forcing functions or base excitations. Provision is made for a graphical type of force or base excitation input to the structure. A description of the required input format and a listing of the program are presented, along with several examples illustrating the use of the program. SPRVIB is written in FORTRAN 4 computer language for use on the CDC 6600 or the IBM 360/75 computers.

  13. Improving the effectiveness of ecological site descriptions: General state-and-transition models and the Ecosystem Dynamics Interpretive Tool (EDIT)

    USGS Publications Warehouse

    Bestelmeyer, Brandon T.; Williamson, Jeb C.; Talbot, Curtis J.; Cates, Greg W.; Duniway, Michael C.; Brown, Joel R.

    2016-01-01

    State-and-transition models (STMs) are useful tools for management, but they can be difficult to use and have limited content.STMs created for groups of related ecological sites could simplify and improve their utility. The amount of information linked to models can be increased using tables that communicate management interpretations and important within-group variability.We created a new web-based information system (the Ecosystem Dynamics Interpretive Tool) to house STMs, associated tabular information, and other ecological site data and descriptors.Fewer, more informative, better organized, and easily accessible STMs should increase the accessibility of science information.

  14. A simple dynamic engine model for use in a real-time aircraft simulation with thrust vectoring

    NASA Technical Reports Server (NTRS)

    Johnson, Steven A.

    1990-01-01

    A simple dynamic engine model was developed at the NASA Ames Research Center, Dryden Flight Research Facility, for use in thrust vectoring control law development and real-time aircraft simulation. The simple dynamic engine model of the F404-GE-400 engine (General Electric, Lynn, Massachusetts) operates within the aircraft simulator. It was developed using tabular data generated from a complete nonlinear dynamic engine model supplied by the manufacturer. Engine dynamics were simulated using a throttle rate limiter and low-pass filter. Included is a description of a method to account for axial thrust loss resulting from thrust vectoring. In addition, the development of the simple dynamic engine model and its incorporation into the F-18 high alpha research vehicle (HARV) thrust vectoring simulation. The simple dynamic engine model was evaluated at Mach 0.2, 35,000 ft altitude and at Mach 0.7, 35,000 ft altitude. The simple dynamic engine model is within 3 percent of the steady state response, and within 25 percent of the transient response of the complete nonlinear dynamic engine model.

  15. Physics-based statistical learning approach to mesoscopic model selection.

    PubMed

    Taverniers, Søren; Haut, Terry S; Barros, Kipton; Alexander, Francis J; Lookman, Turab

    2015-11-01

    In materials science and many other research areas, models are frequently inferred without considering their generalization to unseen data. We apply statistical learning using cross-validation to obtain an optimally predictive coarse-grained description of a two-dimensional kinetic nearest-neighbor Ising model with Glauber dynamics (GD) based on the stochastic Ginzburg-Landau equation (sGLE). The latter is learned from GD "training" data using a log-likelihood analysis, and its predictive ability for various complexities of the model is tested on GD "test" data independent of the data used to train the model on. Using two different error metrics, we perform a detailed analysis of the error between magnetization time trajectories simulated using the learned sGLE coarse-grained description and those obtained using the GD model. We show that both for equilibrium and out-of-equilibrium GD training trajectories, the standard phenomenological description using a quartic free energy does not always yield the most predictive coarse-grained model. Moreover, increasing the amount of training data can shift the optimal model complexity to higher values. Our results are promising in that they pave the way for the use of statistical learning as a general tool for materials modeling and discovery.

  16. Unambiguous formalism for higher order Lagrangian field theories

    NASA Astrophysics Data System (ADS)

    Campos, Cédric M.; de León, Manuel; Martín de Diego, David; Vankerschaver, Joris

    2009-11-01

    The aim of this paper is to propose an unambiguous intrinsic formalism for higher order field theories which avoids the arbitrariness in the generalization of the conventional description of field theories, and implies the existence of different Cartan forms and Legendre transformations. We propose a differential-geometric setting for the dynamics of a higher order field theory, based on the Skinner and Rusk formalism for mechanics. This approach incorporates aspects of both the Lagrangian and the Hamiltonian description, since the field equations are formulated using the Lagrangian on a higher order jet bundle and the canonical multisymplectic form on its affine dual. As both of these objects are uniquely defined, the Skinner-Rusk approach has the advantage that it does not suffer from the arbitrariness in conventional descriptions. The result is that we obtain a unique and global intrinsic version of the Euler-Lagrange equations for higher order field theories. Several examples illustrate our construction.

  17. Test-particle dynamics in general spherically symmetric black hole spacetimes

    NASA Astrophysics Data System (ADS)

    De Laurentis, Mariafelicia; Younsi, Ziri; Porth, Oliver; Mizuno, Yosuke; Rezzolla, Luciano

    2018-05-01

    To date, the most precise tests of general relativity have been achieved through pulsar timing, albeit in the weak-field regime. Since pulsars are some of the most precise and stable "clocks" in the Universe, present observational efforts are focused on detecting pulsars in the vicinity of supermassive black holes (most notably in the Galactic Centre), enabling pulsar timing to be used as an extremely precise probe of strong-field gravity. In this paper, a mathematical framework to describe test-particle dynamics in general black-hole spacetimes is presented and subsequently used to study a binary system comprising a pulsar orbiting a black hole. In particular, taking into account the parameterization of a general spherically symmetric black-hole metric, general analytic expressions for both the advance of the periastron and for the orbital period of a massive test particle are derived. Furthermore, these expressions are applied to four representative cases of solutions arising in both general relativity and in alternative theories of gravity. Finally, this framework is applied to the Galactic center S -stars and four distinct pulsar toy models. It is shown that by adopting a fully general-relativistic description of test-particle motion which is independent of any particular theory of gravity, observations of pulsars can help impose better constraints on alternative theories of gravity than is presently possible.

  18. Actions for particles and strings and Chern-Simons gravity

    NASA Astrophysics Data System (ADS)

    Jiusi, Lei; Nair, V. P.

    2017-09-01

    We consider actions for particles and strings, including twistorial descriptions on 4D Minkowski and AdS5 spacetimes from the point of view of coadjoint orbits for the isometry group. We also consider the collective coordinate dynamics of singular solutions in Chern-Simons (CS) theories and CS theories of gravity. This is a generalization of the work of Einstein, Infeld, and Hoffmann and also has potential points of contact with fluid-gravity correspondence.

  19. 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.

  20. Phase dynamics of coupled oscillators reconstructed from data

    NASA Astrophysics Data System (ADS)

    Rosenblum, Michael; Kralemann, Bjoern; Pikovsky, Arkady

    2013-03-01

    We present a technique for invariant reconstruction of the phase dynamics equations for coupled oscillators from data. The invariant description is achieved by means of a transformation of phase estimates (protophases) obtained from general scalar observables to genuine phases. Staring from the bivariate data, we obtain the coupling functions in terms of these phases. We discuss the importance of the protophase-to-phase transformation for characterization of strength and directionality of interaction. To illustrate the technique we analyse the cardio-respiratory interaction on healthy humans. Our invariant approach is confirmed by high similarity of the coupling functions obtained from different observables of the cardiac system. Next, we generalize the technique to cover the case of small networks of coupled periodic units. We use the partial norms of the reconstructed coupling functions to quantify directed coupling between the oscillators. We illustrate the method by different network motifs for three coupled oscillators. We also discuss nonlinear effects in coupling.

  1. A Korteweg-de Vries description of dark solitons in polariton superfluids

    NASA Astrophysics Data System (ADS)

    Carretero-González, R.; Cuevas-Maraver, J.; Frantzeskakis, D. J.; Horikis, T. P.; Kevrekidis, P. G.; Rodrigues, A. S.

    2017-12-01

    We study the dynamics of dark solitons in an incoherently pumped exciton-polariton condensate by means of a system composed of a generalized open-dissipative Gross-Pitaevskii equation for the polaritons' wavefunction and a rate equation for the exciton reservoir density. Considering a perturbative regime of sufficiently small reservoir excitations, we use the reductive perturbation method, to reduce the system to a Korteweg-de Vries (KdV) equation with linear loss. This model is used to describe the analytical form and the dynamics of dark solitons. We show that the polariton field supports decaying dark soliton solutions with a decay rate determined analytically in the weak pumping regime. We also find that the dark soliton evolution is accompanied by a shelf, whose dynamics follows qualitatively the effective KdV picture.

  2. Zubarev's Nonequilibrium Statistical Operator Method in the Generalized Statistics of Multiparticle Systems

    NASA Astrophysics Data System (ADS)

    Glushak, P. A.; Markiv, B. B.; Tokarchuk, M. V.

    2018-01-01

    We present a generalization of Zubarev's nonequilibrium statistical operator method based on the principle of maximum Renyi entropy. In the framework of this approach, we obtain transport equations for the basic set of parameters of the reduced description of nonequilibrium processes in a classical system of interacting particles using Liouville equations with fractional derivatives. For a classical systems of particles in a medium with a fractal structure, we obtain a non-Markovian diffusion equation with fractional spatial derivatives. For a concrete model of the frequency dependence of a memory function, we obtain generalized Kettano-type diffusion equation with the spatial and temporal fractality taken into account. We present a generalization of nonequilibrium thermofield dynamics in Zubarev's nonequilibrium statistical operator method in the framework of Renyi statistics.

  3. Flocking and Turning: a New Model for Self-organized Collective Motion

    NASA Astrophysics Data System (ADS)

    Cavagna, Andrea; Del Castello, Lorenzo; Giardina, Irene; Grigera, Tomas; Jelic, Asja; Melillo, Stefania; Mora, Thierry; Parisi, Leonardo; Silvestri, Edmondo; Viale, Massimiliano; Walczak, Aleksandra M.

    2015-02-01

    Birds in a flock move in a correlated way, resulting in large polarization of velocities. A good understanding of this collective behavior exists for linear motion of the flock. Yet observing actual birds, the center of mass of the group often turns giving rise to more complicated dynamics, still keeping strong polarization of the flock. Here we propose novel dynamical equations for the collective motion of polarized animal groups that account for correlated turning including solely social forces. We exploit rotational symmetries and conservation laws of the problem to formulate a theory in terms of generalized coordinates of motion for the velocity directions akin to a Hamiltonian formulation for rotations. We explicitly derive the correspondence between this formulation and the dynamics of the individual velocities, thus obtaining a new model of collective motion. In the appropriate overdamped limit we recover the well-known Vicsek model, which dissipates rotational information and does not allow for polarized turns. Although the new model has its most vivid success in describing turning groups, its dynamics is intrinsically different from previous ones in a wide dynamical regime, while reducing to the hydrodynamic description of Toner and Tu at very large length-scales. The derived framework is therefore general and it may describe the collective motion of any strongly polarized active matter system.

  4. Representing Micro-Macro Linkages by Actor-Based Dynamic Network Models

    PubMed Central

    Snijders, Tom A.B.; Steglich, Christian E.G.

    2014-01-01

    Stochastic actor-based models for network dynamics have the primary aim of statistical inference about processes of network change, but may be regarded as a kind of agent-based models. Similar to many other agent-based models, they are based on local rules for actor behavior. Different from many other agent-based models, by including elements of generalized linear statistical models they aim to be realistic detailed representations of network dynamics in empirical data sets. Statistical parallels to micro-macro considerations can be found in the estimation of parameters determining local actor behavior from empirical data, and the assessment of goodness of fit from the correspondence with network-level descriptives. This article studies several network-level consequences of dynamic actor-based models applied to represent cross-sectional network data. Two examples illustrate how network-level characteristics can be obtained as emergent features implied by micro-specifications of actor-based models. PMID:25960578

  5. The dynamics of discrete-time computation, with application to recurrent neural networks and finite state machine extraction.

    PubMed

    Casey, M

    1996-08-15

    Recurrent neural networks (RNNs) can learn to perform finite state computations. It is shown that an RNN performing a finite state computation must organize its state space to mimic the states in the minimal deterministic finite state machine that can perform that computation, and a precise description of the attractor structure of such systems is given. This knowledge effectively predicts activation space dynamics, which allows one to understand RNN computation dynamics in spite of complexity in activation dynamics. This theory provides a theoretical framework for understanding finite state machine (FSM) extraction techniques and can be used to improve training methods for RNNs performing FSM computations. This provides an example of a successful approach to understanding a general class of complex systems that has not been explicitly designed, e.g., systems that have evolved or learned their internal structure.

  6. Holographic control of information and dynamical topology change for composite open quantum systems

    NASA Astrophysics Data System (ADS)

    Aref'eva, I. Ya.; Volovich, I. V.; Inozemcev, O. V.

    2017-12-01

    We analyze how the compositeness of a system affects the characteristic time of equilibration. We study the dynamics of open composite quantum systems strongly coupled to the environment after a quantum perturbation accompanied by nonequilibrium heating. We use a holographic description of the evolution of entanglement entropy. The nonsmooth character of the evolution with holographic entanglement is a general feature of composite systems, which demonstrate a dynamical change of topology in the bulk space and a jumplike velocity change of entanglement entropy propagation. Moreover, the number of jumps depends on the system configuration and especially on the number of composite parts. The evolution of the mutual information of two composite systems inherits these jumps. We present a detailed study of the mutual information for two subsystems with one of them being bipartite. We find five qualitatively different types of behavior of the mutual information dynamics and indicate the corresponding regions of the system parameters.

  7. A new bio-inspired, population-level approach to the socioeconomic evolution of dynamic spectrum access services

    NASA Astrophysics Data System (ADS)

    Horvath, Denis; Gazda, Juraj; Brutovsky, Branislav

    Evolutionary species and quasispecies models provide the universal and flexible basis for a large-scale description of the dynamics of evolutionary systems, which can be built conceived as a constraint satisfaction dynamics. It represents a general framework to design and study many novel, technologically contemporary models and their variants. Here, we apply the classical quasispecies concept to model the emerging dynamic spectrum access (DSA) markets. The theory describes the mechanisms of mimetic transfer, competitive interactions between socioeconomic strata of the end-users, their perception of the utility and inter-operator switching in the variable technological environments of the operators offering the wireless spectrum services. The algorithmization and numerical modeling demonstrate the long-term evolutionary socioeconomic changes which reflect the end-user preferences and results of the majorization of their irrational decisions in the same manner as the prevailing tendencies which are embodied in the efficient market hypothesis.

  8. Quantum epistemology from subquantum ontology: Quantum mechanics from theory of classical random fields

    NASA Astrophysics Data System (ADS)

    Khrennikov, Andrei

    2017-02-01

    The scientific methodology based on two descriptive levels, ontic (reality as it is) and epistemic (observational), is briefly presented. Following Schrödinger, we point to the possible gap between these two descriptions. Our main aim is to show that, although ontic entities may be unaccessible for observations, they can be useful for clarification of the physical nature of operational epistemic entities. We illustrate this thesis by the concrete example: starting with the concrete ontic model preceding quantum mechanics (the latter is treated as an epistemic model), namely, prequantum classical statistical field theory (PCSFT), we propose the natural physical interpretation for the basic quantum mechanical entity-the quantum state ("wave function"). The correspondence PCSFT ↦ QM is not straightforward, it couples the covariance operators of classical (prequantum) random fields with the quantum density operators. We use this correspondence to clarify the physical meaning of the pure quantum state and the superposition principle-by using the formalism of classical field correlations. In classical mechanics the phase space description can be considered as the ontic description, here states are given by points λ =(x , p) of phase space. The dynamics of the ontic state is given by the system of Hamiltonian equations.We can also consider probability distributions on the phase space (or equivalently random variables valued in it). We call them probabilistic ontic states. Dynamics of probabilistic ontic states is given by the Liouville equation.In classical physics we can (at least in principle) measure both the coordinate and momentum and hence ontic states can be treated as epistemic states as well (or it is better to say that here epistemic states can be treated as ontic states). Probabilistic ontic states represent probabilities for outcomes of joint measurement of position and momentum.However, this was a very special, although very important, example of description of physical phenomena. In general there are no reasons to expect that properties of ontic states are approachable through our measurements. There is a gap between ontic and epistemic descriptions, cf. also with 't Hooft [49,50] and G G. Groessing et al. [51]. In general the presence of such a gap also implies unapproachability of the probabilistic ontic states, i.e., probability distributions on the space of ontic states. De Broglie [28] called such probability distributions hidden probabilities and distinguished them sharply from probability distributions of measurements outcomes, see also Lochak [29]. (The latter distributions are described by the quantum formalism.)This ontic-epistemic approach based on the combination of two descriptive levels for natural phenomena is closely related to the old Bild conception which was originated in the works of Hertz. Later it was heavily explored by Schrödinger in the quantum domain, see, e.g., [8,11] for detailed analysis. According to Hertz one cannot expect to construct a complete theoretical model based explicitly on observable quantities. The complete theoretical model can contain quantities which are unapproachable for external measurement inspection. For example, Hertz by trying to create a mechanical model for Maxwell's electromagnetism invented hidden masses. The main distinguishing property of a theoretical model (in contrast to an observational model) is the continuity of description, i.e., the absence of gaps in description. From this viewpoint, the quantum mechanical description is not continuous: there is a gap between premeasurement dynamics and the measurement outcome. QM cannot say anything what happens in the process of measurement, this is the well known measurement problem of QM [32], cf. [52,53]. Continuity of description is closely related to causality. However, here we cannot go in more detail, see [8,11].The important question is about interrelation between two levels of description, ontic-epistemic (or theoretical-observational). In the introduction we have already cited Schrödinger who emphasized the possible complexity of this interrelation. In particular, in general there is no reason to expect a straightforward coupling of the form, cf. [9,10]:

  9. Building Rate Into a Dynamic Theory of Linguistic Description.

    ERIC Educational Resources Information Center

    Bailey, Charles-James N.

    1970-01-01

    This study of linguistic change is done within the "dynamic paradigm" of linguistic description, in which the strict dichotomy between diachronic and synchronic linguistics found in "static paradigms" is not maintained. The chief purpose here is to indicate how rate could be built into a linguistic description of sound change, such change being…

  10. Optimizations of Human Restraint Systems for Short-Period Acceleration

    NASA Technical Reports Server (NTRS)

    Payne, P. R.

    1963-01-01

    A restraint system's main function is to restrain its occupant when his vehicle is subjected to acceleration. If the restraint system is rigid and well-fitting (to eliminate slack) then it will transmit the vehicle acceleration to its occupant without modifying it in any way. Few present-day restraint systems are stiff enough to give this one-to-one transmission characteristic, and depending upon their dynamic characteristics and the nature of the vehicle's acceleration-time history, they will either magnify or attenuate the acceleration. Obviously an optimum restraint system will give maximum attenuation of an input acceleration. In the general case of an arbitrary acceleration input, a computer must be used to determine the optimum dynamic characteristics for the restraint system. Analytical solutions can be obtained for certain simple cases, however, and these cases are considered in this paper, after the concept of dynamic models of the human body is introduced. The paper concludes with a description of an analog computer specially developed for the Air Force to handle completely general mechanical restraint optimization programs of this type, where the acceleration input may be any arbitrary function of time.

  11. Measuring effective temperatures in a generalized Gibbs ensemble

    NASA Astrophysics Data System (ADS)

    Foini, Laura; Gambassi, Andrea; Konik, Robert; Cugliandolo, Leticia F.

    2017-05-01

    The local physical properties of an isolated quantum statistical system in the stationary state reached long after a quench are generically described by the Gibbs ensemble, which involves only its Hamiltonian and the temperature as a parameter. If the system is instead integrable, additional quantities conserved by the dynamics intervene in the description of the stationary state. The resulting generalized Gibbs ensemble involves a number of temperature-like parameters, the determination of which is practically difficult. Here we argue that in a number of simple models these parameters can be effectively determined by using fluctuation-dissipation relationships between response and correlation functions of natural observables, quantities which are accessible in experiments.

  12. Generalizing ecological site concepts of the Colorado Plateau for landscape-level applications

    USGS Publications Warehouse

    Duniway, Michael C.; Nauman, Travis; Johanson, Jamin K.; Green, Shane; Miller, Mark E.; Bestelmeyer, Brandon T.

    2016-01-01

    Numerous ecological site descriptions in the southern Utah portion of the Colorado Plateau can be difficult to navigate, so we held a workshop aimed at adding value and functionality to the current ecological site system.We created new groups of ecological sites and drafted state-and-transition models for these new groups.We were able to distill the current large number of ecological sites in the study area (ca. 150) into eight ecological site groups that capture important variability in ecosystem dynamics.Several inventory and monitoring programs and landscape scale planning actions will likely benefit from more generalized ecological site group concepts.

  13. Generalized Boltzmann-Type Equations for Aggregation in Gases

    NASA Astrophysics Data System (ADS)

    Adzhiev, S. Z.; Vedenyapin, V. V.; Volkov, Yu. A.; Melikhov, I. V.

    2017-12-01

    The coalescence and fragmentation of particles in a dispersion system are investigated by applying kinetic theory methods, namely, by generalizing the Boltzmann kinetic equation to coalescence and fragmentation processes. Dynamic equations for the particle concentrations in the system are derived using the kinetic equations of motion. For particle coalescence and fragmentation, equations for the particle momentum, coordinate, and mass distribution functions are obtained and the coalescence and fragmentation coefficients are calculated. The equilibrium mass and velocity distribution functions of the particles in the dispersion system are found in the approximation of an active terminal group (Becker-Döring-type equation). The transition to a continuum description is performed.

  14. Applying Dynamic Wake Models to Induced Power Calculations for an Optimum Rotor

    DTIC Science & Technology

    2009-08-01

    versions being special cases of the general one. Although the rotor blade may be moving at transonic speeds near the tip, the rotor wake is...The effect of a finite number of blades incurs an additional loss in wake energy due to the individual vortex sheets from each blade . In 1929... blades . Up to this point, previous developments have been able to achieve the full description of the wake in all ranges of flight regime

  15. Coupling Behavior and Vertical Distribution of Pteropods in Coastal Waters Using Data from the Video Plankton Recorder

    DTIC Science & Technology

    1997-09-30

    COUPLING BEHAVIOR AND VERTICAL DISTRIBUTION OF PTEROPODS IN COASTAL WATERS USING DATA FROM THE VIDEO PLANKTON RECORDER Scott M. Gallager Woods Hole...OBJECTIVES The general hypothesis being tested is that the vertical distribution of the pteropod Limacina retroversa is predictable as a function of light...the plankton, to a dynamic description of its instantaneous swimming behavior. 3) To couple objectives 1 and 2 through numerical modeling of pteropod

  16. Technical Description of Urban Microscale Modeling System: Component 1 of CRTI Project 02-0093RD

    DTIC Science & Technology

    2007-03-01

    0093RD which involved (1) development and implementation of a com- putational fluid dynamics model for the simulation of urban flow in an arbitrary...resource will serve as a nation-wide general problem- solving tool for first-responders involved with CBR incidents in the urban environment and...predictions with experimental data obtained from a comprehensive full-scale urban field experiment conducted in Oklahoma City, Oklahoma in July 2003 (Joint

  17. Quantum-to-classical crossover near quantum critical point

    DOE PAGES

    Vasin, M.; Ryzhov, V.; Vinokur, V. M.

    2015-12-21

    A quantum phase transition (QPT) is an inherently dynamic phenomenon. However, while non-dissipative quantum dynamics is described in detail, the question, that is not thoroughly understood is how the omnipresent dissipative processes enter the critical dynamics near a quantum critical point (QCP). Here we report a general approach enabling inclusion of both adiabatic and dissipative processes into the critical dynamics on the same footing. We reveal three distinct critical modes, the adiabatic quantum mode (AQM), the dissipative classical mode [classical critical dynamics mode (CCDM)], and the dissipative quantum critical mode (DQCM). We find that as a result of the transitionmore » from the regime dominated by thermal fluctuations to that governed by the quantum ones, the system acquires effective dimension d+zΛ(T), where z is the dynamical exponent, and temperature-depending parameter Λ(T)ε[0, 1] decreases with the temperature such that Λ(T=0) = 1 and Λ(T →∞) = 0. Lastly, our findings lead to a unified picture of quantum critical phenomena including both dissipation- and dissipationless quantum dynamic effects and offer a quantitative description of the quantum-to-classical crossover.« less

  18. Molecular dynamics of conformational substates for a simplified protein model

    NASA Astrophysics Data System (ADS)

    Grubmüller, Helmut; Tavan, Paul

    1994-09-01

    Extended molecular dynamics simulations covering a total of 0.232 μs have been carried out on a simplified protein model. Despite its simplified structure, that model exhibits properties similar to those of more realistic protein models. In particular, the model was found to undergo transitions between conformational substates at a time scale of several hundred picoseconds. The computed trajectories turned out to be sufficiently long as to permit a statistical analysis of that conformational dynamics. To check whether effective descriptions neglecting memory effects can reproduce the observed conformational dynamics, two stochastic models were studied. A one-dimensional Langevin effective potential model derived by elimination of subpicosecond dynamical processes could not describe the observed conformational transition rates. In contrast, a simple Markov model describing the transitions between but neglecting dynamical processes within conformational substates reproduced the observed distribution of first passage times. These findings suggest, that protein dynamics generally does not exhibit memory effects at time scales above a few hundred picoseconds, but confirms the existence of memory effects at a picosecond time scale.

  19. Exploiting Fast-Variables to Understand Population Dynamics and Evolution

    NASA Astrophysics Data System (ADS)

    Constable, George W. A.; McKane, Alan J.

    2018-07-01

    We describe a continuous-time modelling framework for biological population dynamics that accounts for demographic noise. In the spirit of the methodology used by statistical physicists, transitions between the states of the system are caused by individual events while the dynamics are described in terms of the time-evolution of a probability density function. In general, the application of the diffusion approximation still leaves a description that is quite complex. However, in many biological applications one or more of the processes happen slowly relative to the system's other processes, and the dynamics can be approximated as occurring within a slow low-dimensional subspace. We review these time-scale separation arguments and analyse the more simple stochastic dynamics that result in a number of cases. We stress that it is important to retain the demographic noise derived in this way, and emphasise this point by showing that it can alter the direction of selection compared to the prediction made from an analysis of the corresponding deterministic model.

  20. Exploiting Fast-Variables to Understand Population Dynamics and Evolution

    NASA Astrophysics Data System (ADS)

    Constable, George W. A.; McKane, Alan J.

    2017-11-01

    We describe a continuous-time modelling framework for biological population dynamics that accounts for demographic noise. In the spirit of the methodology used by statistical physicists, transitions between the states of the system are caused by individual events while the dynamics are described in terms of the time-evolution of a probability density function. In general, the application of the diffusion approximation still leaves a description that is quite complex. However, in many biological applications one or more of the processes happen slowly relative to the system's other processes, and the dynamics can be approximated as occurring within a slow low-dimensional subspace. We review these time-scale separation arguments and analyse the more simple stochastic dynamics that result in a number of cases. We stress that it is important to retain the demographic noise derived in this way, and emphasise this point by showing that it can alter the direction of selection compared to the prediction made from an analysis of the corresponding deterministic model.

  1. Parity-time symmetry breaking in magnetic systems

    DOE PAGES

    Galda, Alexey; Vinokur, Valerii M.

    2016-07-14

    The understanding of out-of-equilibrium physics, especially dynamic instabilities and dynamic phase transitions, is one of the major challenges of contemporary science, spanning the broadest wealth of research areas that range from quantum optics to living organisms. By focusing on nonequilibrium dynamics of an open dissipative spin system, we introduce a non-Hermitian Hamiltonian approach, in which non-Hermiticity reflects dissipation and deviation from equilibrium. The imaginary part of the proposed spin Hamiltonian describes the effects of Gilbert damping and applied Slonczewski spin-transfer torque. In the classical limit, our approach reproduces Landau-Lifshitz-Gilbert-Slonczewski dynamics of a large macrospin. Here, we reveal the spin-transfer torque-drivenmore » parity-time symmetry-breaking phase transition corresponding to a transition from precessional to exponentially damped spin dynamics. Micromagnetic simulations for nanoscale ferromagnetic disks demonstrate the predicted effect. These findings can pave the way to a general quantitative description of out-of-equilibrium phase transitions driven by spontaneous parity-time symmetry breaking.« less

  2. Dynamics of the middle atmosphere as observed by the ARISE project

    NASA Astrophysics Data System (ADS)

    Blanc, Elisabeth

    2015-04-01

    The atmosphere is a complex system submitted to disturbances in a wide range of scales, including high frequency sources as volcanoes, thunderstorms, tornadoes and at larger scales, gravity waves from deep convection or wind over mountains, atmospheric tides and planetary waves. These waves affect the different atmospheric layers submitted to different temperature and wind systems which strongly control the general atmospheric circulation. The full description of gravity and planetary waves constitutes a challenge for the development of future models of atmosphere and climate. The objective of this paper is to present a review of recent advances obtained in this topic, especially in the framework of the ARISE (Atmospheric dynamics Research InfraStructure in Europe) project

  3. Orbital maneuvering engine feed system coupled stability investigation

    NASA Technical Reports Server (NTRS)

    Kahn, D. R.; Schuman, M. D.; Hunting, J. K.; Fertig, K. W.

    1975-01-01

    A digital computer model used to analyze and predict engine feed system coupled instabilities over a frequency range of 10 to 1000 Hz was developed and verified. The analytical approach to modeling the feed system hydrodynamics, combustion dynamics, chamber dynamics, and overall engineering model structure is described and the governing equations in each of the technical areas are presented. This is followed by a description of the generalized computer model, including formulation of the discrete subprograms and their integration into an overall engineering model structure. The operation and capabilities of the engineering model were verified by comparing the model's theoretical predictions with experimental data from an OMS-type engine with a known feed system/engine chugging history.

  4. Molecular Dynamics based on a Generalized Born solvation model: application to protein folding

    NASA Astrophysics Data System (ADS)

    Onufriev, Alexey

    2004-03-01

    An accurate description of the aqueous environment is essential for realistic biomolecular simulations, but may become very expensive computationally. We have developed a version of the Generalized Born model suitable for describing large conformational changes in macromolecules. The model represents the solvent implicitly as continuum with the dielectric properties of water, and include charge screening effects of salt. The computational cost associated with the use of this model in Molecular Dynamics simulations is generally considerably smaller than the cost of representing water explicitly. Also, compared to traditional Molecular Dynamics simulations based on explicit water representation, conformational changes occur much faster in implicit solvation environment due to the absence of viscosity. The combined speed-up allow one to probe conformational changes that occur on much longer effective time-scales. We apply the model to folding of a 46-residue three helix bundle protein (residues 10-55 of protein A, PDB ID 1BDD). Starting from an unfolded structure at 450 K, the protein folds to the lowest energy state in 6 ns of simulation time, which takes about a day on a 16 processor SGI machine. The predicted structure differs from the native one by 2.4 A (backbone RMSD). Analysis of the structures seen on the folding pathway reveals details of the folding process unavailable form experiment.

  5. Semiclassical description of hyperfine interaction in calculating chemically induced dynamic nuclear polarization in weak magnetic fields

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

    Purtov, P.A.; Salikhov, K.M.

    1987-09-01

    Semiclassical HFI description is applicable to calculating the integral CIDNP effect in weak fields. The HFI has been calculated for radicals with sufficiently numerous magnetically equivalent nuclei (n greater than or equal to 5) in satisfactory agreement with CIDNP calculations based on quantum-mechanical description of radical-pair spin dynamics.

  6. Optimal dimensionality reduction of complex dynamics: the chess game as diffusion on a free-energy landscape.

    PubMed

    Krivov, Sergei V

    2011-07-01

    Dimensionality reduction is ubiquitous in the analysis of complex dynamics. The conventional dimensionality reduction techniques, however, focus on reproducing the underlying configuration space, rather than the dynamics itself. The constructed low-dimensional space does not provide a complete and accurate description of the dynamics. Here I describe how to perform dimensionality reduction while preserving the essential properties of the dynamics. The approach is illustrated by analyzing the chess game--the archetype of complex dynamics. A variable that provides complete and accurate description of chess dynamics is constructed. The winning probability is predicted by describing the game as a random walk on the free-energy landscape associated with the variable. The approach suggests a possible way of obtaining a simple yet accurate description of many important complex phenomena. The analysis of the chess game shows that the approach can quantitatively describe the dynamics of processes where human decision-making plays a central role, e.g., financial and social dynamics.

  7. Optimal dimensionality reduction of complex dynamics: The chess game as diffusion on a free-energy landscape

    NASA Astrophysics Data System (ADS)

    Krivov, Sergei V.

    2011-07-01

    Dimensionality reduction is ubiquitous in the analysis of complex dynamics. The conventional dimensionality reduction techniques, however, focus on reproducing the underlying configuration space, rather than the dynamics itself. The constructed low-dimensional space does not provide a complete and accurate description of the dynamics. Here I describe how to perform dimensionality reduction while preserving the essential properties of the dynamics. The approach is illustrated by analyzing the chess game—the archetype of complex dynamics. A variable that provides complete and accurate description of chess dynamics is constructed. The winning probability is predicted by describing the game as a random walk on the free-energy landscape associated with the variable. The approach suggests a possible way of obtaining a simple yet accurate description of many important complex phenomena. The analysis of the chess game shows that the approach can quantitatively describe the dynamics of processes where human decision-making plays a central role, e.g., financial and social dynamics.

  8. Stochastic thermodynamics across scales: Emergent inter-attractoral discrete Markov jump process and its underlying continuous diffusion

    NASA Astrophysics Data System (ADS)

    Santillán, Moisés; Qian, Hong

    2013-01-01

    We investigate the internal consistency of a recently developed mathematical thermodynamic structure across scales, between a continuous stochastic nonlinear dynamical system, i.e., a diffusion process with Langevin and Fokker-Planck equations, and its emergent discrete, inter-attractoral Markov jump process. We analyze how the system’s thermodynamic state functions, e.g. free energy F, entropy S, entropy production ep, free energy dissipation Ḟ, etc., are related when the continuous system is described with coarse-grained discrete variables. It is shown that the thermodynamics derived from the underlying, detailed continuous dynamics gives rise to exactly the free-energy representation of Gibbs and Helmholtz. That is, the system’s thermodynamic structure is the same as if one only takes a middle road and starts with the natural discrete description, with the corresponding transition rates empirically determined. By natural we mean in the thermodynamic limit of a large system, with an inherent separation of time scales between inter- and intra-attractoral dynamics. This result generalizes a fundamental idea from chemistry, and the theory of Kramers, by incorporating thermodynamics: while a mechanical description of a molecule is in terms of continuous bond lengths and angles, chemical reactions are phenomenologically described by a discrete representation, in terms of exponential rate laws and a stochastic thermodynamics.

  9. Quantum learning of classical stochastic processes: The completely positive realization problem

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

    Monràs, Alex; Centre for Quantum Technologies, National University of Singapore, 3 Science Drive 2, Singapore 117543; Winter, Andreas

    2016-01-15

    Among several tasks in Machine Learning, a specially important one is the problem of inferring the latent variables of a system and their causal relations with the observed behavior. A paradigmatic instance of this is the task of inferring the hidden Markov model underlying a given stochastic process. This is known as the positive realization problem (PRP), [L. Benvenuti and L. Farina, IEEE Trans. Autom. Control 49(5), 651–664 (2004)] and constitutes a central problem in machine learning. The PRP and its solutions have far-reaching consequences in many areas of systems and control theory, and is nowadays an important piece inmore » the broad field of positive systems theory. We consider the scenario where the latent variables are quantum (i.e., quantum states of a finite-dimensional system) and the system dynamics is constrained only by physical transformations on the quantum system. The observable dynamics is then described by a quantum instrument, and the task is to determine which quantum instrument — if any — yields the process at hand by iterative application. We take as a starting point the theory of quasi-realizations, whence a description of the dynamics of the process is given in terms of linear maps on state vectors and probabilities are given by linear functionals on the state vectors. This description, despite its remarkable resemblance with the hidden Markov model, or the iterated quantum instrument, is however devoid of any stochastic or quantum mechanical interpretation, as said maps fail to satisfy any positivity conditions. The completely positive realization problem then consists in determining whether an equivalent quantum mechanical description of the same process exists. We generalize some key results of stochastic realization theory, and show that the problem has deep connections with operator systems theory, giving possible insight to the lifting problem in quotient operator systems. Our results have potential applications in quantum machine learning, device-independent characterization and reverse-engineering of stochastic processes and quantum processors, and more generally, of dynamical processes with quantum memory [M. Guţă, Phys. Rev. A 83(6), 062324 (2011); M. Guţă and N. Yamamoto, e-print http://arxiv.org/abs/1303.3771 (2013)].« less

  10. 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.

  11. Application of a system modification technique to dynamic tuning of a spinning rotor blade

    NASA Technical Reports Server (NTRS)

    Spain, C. V.

    1987-01-01

    An important consideration in the development of modern helicopters is the vibratory response of the main rotor blade. One way to minimize vibration levels is to ensure that natural frequencies of the spinning main rotor blade are well removed from integer multiples of the rotor speed. A technique for dynamically tuning a finite-element model of a rotor blade to accomplish that end is demonstrated. A brief overview is given of the general purpose finite element system known as Engineering Analysis Language (EAL) which was used in this work. A description of the EAL System Modification (SM) processor is then given along with an explanation of special algorithms developed to be used in conjunction with SM. Finally, this technique is demonstrated by dynamically tuning a model of an advanced composite rotor blade.

  12. Implementation of malaria dynamic models in municipality level early warning systems in Colombia. Part I: description of study sites.

    PubMed

    Ruiz, Daniel; Cerón, Viviana; Molina, Adriana M; Quiñónes, Martha L; Jiménez, Mónica M; Ahumada, Martha; Gutiérrez, Patricia; Osorio, Salua; Mantilla, Gilma; Connor, Stephen J; Thomson, Madeleine C

    2014-07-01

    As part of the Integrated National Adaptation Pilot project and the Integrated Surveillance and Control System, the Colombian National Institute of Health is working on the design and implementation of a Malaria Early Warning System framework, supported by seasonal climate forecasting capabilities, weather and environmental monitoring, and malaria statistical and dynamic models. In this report, we provide an overview of the local ecoepidemiologic settings where four malaria process-based mathematical models are currently being implemented at a municipal level. The description includes general characteristics, malaria situation (predominant type of infection, malaria-positive cases data, malaria incidence, and seasonality), entomologic conditions (primary and secondary vectors, mosquito densities, and feeding frequencies), climatic conditions (climatology and long-term trends), key drivers of epidemic outbreaks, and non-climatic factors (populations at risk, control campaigns, and socioeconomic conditions). Selected pilot sites exhibit different ecoepidemiologic settings that must be taken into account in the development of the integrated surveillance and control system. © The American Society of Tropical Medicine and Hygiene.

  13. Theory and Simulation of Self- and Mutual-Diffusion of Carrier Density and Temperature in Semiconductor Lasers

    NASA Technical Reports Server (NTRS)

    Li, Jian-Zhong; Cheung, Samson H.; Ning, C. Z.

    2001-01-01

    Carrier diffusion and thermal conduction play a fundamental role in the operation of high-power, broad-area semiconductor lasers. Restricted geometry, high pumping level and dynamic instability lead to inhomogeneous spatial distribution of plasma density, temperature, as well as light field, due to strong light-matter interaction. Thus, modeling and simulation of such optoelectronic devices rely on detailed descriptions of carrier dynamics and energy transport in the system. A self-consistent description of lasing and heating in large-aperture, inhomogeneous edge- or surface-emitting lasers (VCSELs) require coupled diffusion equations for carrier density and temperature. In this paper, we derive such equations from the Boltzmann transport equation for the carrier distributions. The derived self- and mutual-diffusion coefficients are in general nonlinear functions of carrier density and temperature including many-body interactions. We study the effects of many-body interactions on these coefficients, as well as the nonlinearity of these coefficients for large-area VCSELs. The effects of mutual diffusions on carrier and temperature distributions in gain-guided VCSELs will be also presented.

  14. Proceedings of the Gulf Stream Workshop Held at West Greenwich, Rhode Island on 23-26 April 1985,

    DTIC Science & Technology

    1985-04-01

    complex. We now realize that a correct dytiamical description must intrinsically couple the mass-, momentum -, energy-, and vorticity-fluxes of a strong mean...path and structure, and the mass- and momentum transport. 2. Meander dynamics "intrinsic" to the Gulf Stream, such as growth and propagation of...contribute to the dissipation of momentum through wave and form drag. A general study of the influence of the seamounts seems more appropriate for the

  15. A Physicist's view on Chopin's Études

    NASA Astrophysics Data System (ADS)

    Blasone, Massimo

    2017-07-01

    We propose the use of specific dynamical processes and more in general of ideas from Physics to model the evolution in time of musical structures. We apply this approach to two Études by F. Chopin, namely Op.10 n.3 and Op.25 n.1, proposing some original description based on concepts of symmetry breaking/restoration and quantum coherence, which could be useful for interpretation. In this analysis, we take advantage of colored musical scores, obtained by implementing Scriabin's color code for sounds to musical notation.

  16. Calculation of Protein Heat Capacity from Replica-Exchange Molecular Dynamics Simulations with Different Implicit Solvent Models

    DTIC Science & Technology

    2008-10-30

    rigorous Poisson-based methods generally apply a Lee-Richards mo- lecular surface.9 This surface is considered the de facto description for continuum...definition and calculation of the Born radii. To evaluate the Born radii, two approximations are invoked. The first is the Coulomb field approximation (CFA...energy term, and depending on the particular GB formulation, higher-order non- Coulomb correction terms may be added to the Born radii to account for the

  17. Proceedings of the International Workshop on Multistrategy Learning (2nd) Held in Harpers Ferry, West Virginia on May 26-29, 1993

    DTIC Science & Technology

    1993-05-26

    aic.gmu.edu, Tel: 703 993-1719, Fax: 703 993-3729 All rights reserved. No part of this publication may be reproduced, stored in a retrieval system, or... Public Health Data ....................... 309 John W. Sheppard Author Index vi I. General Issues 3 Multitype Inference in Multistrategy Task-adaptive...0.7 values were chosen because experience This description has appeared already in many showed they facilitated GenNet dynamics). publications (e.g. de

  18. A Force Balanced Fragmentation Method for ab Initio Molecular Dynamic Simulation of Protein.

    PubMed

    Xu, Mingyuan; Zhu, Tong; Zhang, John Z H

    2018-01-01

    A force balanced generalized molecular fractionation with conjugate caps (FB-GMFCC) method is proposed for ab initio molecular dynamic simulation of proteins. In this approach, the energy of the protein is computed by a linear combination of the QM energies of individual residues and molecular fragments that account for the two-body interaction of hydrogen bond between backbone peptides. The atomic forces on the caped H atoms were corrected to conserve the total force of the protein. Using this approach, ab initio molecular dynamic simulation of an Ace-(ALA) 9 -NME linear peptide showed the conservation of the total energy of the system throughout the simulation. Further a more robust 110 ps ab initio molecular dynamic simulation was performed for a protein with 56 residues and 862 atoms in explicit water. Compared with the classical force field, the ab initio molecular dynamic simulations gave better description of the geometry of peptide bonds. Although further development is still needed, the current approach is highly efficient, trivially parallel, and can be applied to ab initio molecular dynamic simulation study of large proteins.

  19. Phoretic self-propulsion: a mesoscopic description of reaction dynamics that powers motion.

    PubMed

    de Buyl, Pierre; Kapral, Raymond

    2013-02-21

    The fabrication of synthetic self-propelled particles and the experimental investigations of their dynamics have stimulated interest in self-generated phoretic effects that propel nano- and micron-scale objects. Theoretical modeling of these phenomena is often based on a continuum description of the solvent for different phoretic propulsion mechanisms, including, self-electrophoresis, self-diffusiophoresis and self-thermophoresis. The work in this paper considers various types of catalytic chemical reaction at the motor surface and in the bulk fluid that come into play in mesoscopic descriptions of the dynamics. The formulation is illustrated by developing the mesoscopic reaction dynamics for exothermic and dissociation reactions that are used to power motor motion. The results of simulations of the self-propelled dynamics of composite Janus particles by these mechanisms are presented.

  20. The use of mechanistic descriptions of algal growth and zooplankton grazing in an estuarine eutrophication model

    NASA Astrophysics Data System (ADS)

    Baird, M. E.; Walker, S. J.; Wallace, B. B.; Webster, I. T.; Parslow, J. S.

    2003-03-01

    A simple model of estuarine eutrophication is built on biomechanical (or mechanistic) descriptions of a number of the key ecological processes in estuaries. Mechanistically described processes include the nutrient uptake and light capture of planktonic and benthic autotrophs, and the encounter rates of planktonic predators and prey. Other more complex processes, such as sediment biogeochemistry, detrital processes and phosphate dynamics, are modelled using empirical descriptions from the Port Phillip Bay Environmental Study (PPBES) ecological model. A comparison is made between the mechanistically determined rates of ecological processes and the analogous empirically determined rates in the PPBES ecological model. The rates generally agree, with a few significant exceptions. Model simulations were run at a range of estuarine depths and nutrient loads, with outputs presented as the annually averaged biomass of autotrophs. The simulations followed a simple conceptual model of eutrophication, suggesting a simple biomechanical understanding of estuarine processes can provide a predictive tool for ecological processes in a wide range of estuarine ecosystems.

  1. Generalized hydrodynamic correlations and fractional memory functions

    NASA Astrophysics Data System (ADS)

    Rodríguez, Rosalio F.; Fujioka, Jorge

    2015-12-01

    A fractional generalized hydrodynamic (GH) model of the longitudinal velocity fluctuations correlation, and its associated memory function, for a complex fluid is analyzed. The adiabatic elimination of fast variables introduces memory effects in the transport equations, and the dynamic of the fluctuations is described by a generalized Langevin equation with long-range noise correlations. These features motivate the introduction of Caputo time fractional derivatives and allows us to calculate analytic expressions for the fractional longitudinal velocity correlation function and its associated memory function. Our analysis eliminates a spurious constant term in the non-fractional memory function found in the non-fractional description. It also produces a significantly slower power-law decay of the memory function in the GH regime that reduces to the well-known exponential decay in the non-fractional Navier-Stokes limit.

  2. Communication: GAIMS—Generalized Ab Initio Multiple Spawning for both internal conversion and intersystem crossing processes

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

    Curchod, Basile F. E.; Martínez, Todd J., E-mail: toddjmartinez@gmail.com; SLAC National Accelerator Laboratory, Menlo Park, California 94025

    2016-03-14

    Full multiple spawning is a formally exact method to describe the excited-state dynamics of molecular systems beyond the Born-Oppenheimer approximation. However, it has been limited until now to the description of radiationless transitions taking place between electronic states with the same spin multiplicity. This Communication presents a generalization of the full and ab initio multiple spawning methods to both internal conversion (mediated by nonadiabatic coupling terms) and intersystem crossing events (triggered by spin-orbit coupling matrix elements) based on a spin-diabatic representation. The results of two numerical applications, a model system and the deactivation of thioformaldehyde, validate the presented formalism andmore » its implementation.« less

  3. Generalized Gibbs ensembles for quantum field theories

    NASA Astrophysics Data System (ADS)

    Essler, F. H. L.; Mussardo, G.; Panfil, M.

    2015-05-01

    We consider the nonequilibrium dynamics in quantum field theories (QFTs). After being prepared in a density matrix that is not an eigenstate of the Hamiltonian, such systems are expected to relax locally to a stationary state. In the presence of local conservation laws, these stationary states are believed to be described by appropriate generalized Gibbs ensembles. Here we demonstrate that in order to obtain a correct description of the stationary state, it is necessary to take into account conservation laws that are not (ultra)local in the usual sense of QFTs, but fulfill a significantly weaker form of locality. We discuss the implications of our results for integrable QFTs in one spatial dimension.

  4. Communication: GAIMS—generalized ab initio multiple spawning for both internal conversion and intersystem crossing processes

    DOE PAGES

    Curchod, Basile F. E.; Rauer, Clemens; Marquetand, Philipp; ...

    2016-03-11

    Full Multiple Spawning is a formally exact method to describe the excited-state dynamics of molecular systems beyond the Born-Oppenheimer approximation. However, it has been limited until now to the description of radiationless transitions taking place between electronic states with the same spin multiplicity. This Communication presents a generalization of the full and ab initio Multiple Spawning methods to both internal conversion (mediated by nonadiabatic coupling terms) and intersystem crossing events (triggered by spin-orbit coupling matrix elements) based on a spin-diabatic representation. Lastly, the results of two numerical applications, a model system and the deactivation of thioformaldehyde, validate the presented formalismmore » and its implementation.« less

  5. Humans' Relationship to Flowers as an Example of the Multiple Components of Embodied Aesthetics.

    PubMed

    Huss, Ephrat; Bar Yosef, Kfir; Zaccai, Michele

    2018-03-01

    This paper phenomenologically and qualitatively explores the relationship between humans and flowers as a relationship that throws light on the synergetic dynamics of embodied aesthetics. Its methods include qualitative description and thematic analyses of preferred flower types, as well as concept maps of the general term 'flower' by 120 students in Israel. The results revealed the interactive perceptual-compositional elements, as well as embodied, relational, and socially embedded elements of the aesthetic pleasure associated with flowers. Implications of this case study are generalized to understand the multiple and interactive components of embodied aesthetic experiences as a deep source of pleasure through interactive stimulation by and connection to the natural world.

  6. The pEst version 2.1 user's manual

    NASA Technical Reports Server (NTRS)

    Murray, James E.; Maine, Richard E.

    1987-01-01

    This report is a user's manual for version 2.1 of pEst, a FORTRAN 77 computer program for interactive parameter estimation in nonlinear dynamic systems. The pEst program allows the user complete generality in definig the nonlinear equations of motion used in the analysis. The equations of motion are specified by a set of FORTRAN subroutines; a set of routines for a general aircraft model is supplied with the program and is described in the report. The report also briefly discusses the scope of the parameter estimation problem the program addresses. The report gives detailed explanations of the purpose and usage of all available program commands and a description of the computational algorithms used in the program.

  7. Measuring effective temperatures in a generalized Gibbs ensemble

    DOE PAGES

    Foini, Laura; Gambassi, Andrea; Konik, Robert; ...

    2017-05-11

    The local physical properties of an isolated quantum statistical system in the stationary state reached long after a quench are generically described by the Gibbs ensemble, which involves only its Hamiltonian and the temperature as a parameter. Additional quantities conserved by the dynamics intervene in the description of the stationary state, if the system is instead integrable. The resulting generalized Gibbs ensemble involves a number of temperature-like parameters, the determination of which is practically difficult. We argue that in a number of simple models these parameters can be effectively determined by using fluctuation-dissipation relationships between response and correlation functions ofmore » natural observables, quantities which are accessible in experiments.« less

  8. 42 CFR 409.5 - General description of benefits.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 42 Public Health 2 2010-10-01 2010-10-01 false General description of benefits. 409.5 Section 409... MEDICARE PROGRAM HOSPITAL INSURANCE BENEFITS Hospital Insurance Benefits: General Provisions § 409.5 General description of benefits. Hospital insurance (Part A of Medicare) helps pay for inpatient hospital...

  9. Lagrangian fluid description with simple applications in compressible plasma and gas dynamics

    NASA Astrophysics Data System (ADS)

    Schamel, Hans

    2004-03-01

    The Lagrangian fluid description, in which the dynamics of fluids is formulated in terms of trajectories of fluid elements, not only presents an alternative to the more common Eulerian description but has its own merits and advantages. This aspect, which seems to be not fully explored yet, is getting increasing attention in fluid dynamics and related areas as Lagrangian codes and experimental techniques are developed utilizing the Lagrangian point of view with the ultimate goal of a deeper understanding of flow dynamics. In this tutorial review we report on recent progress made in the analysis of compressible, more or less perfect flows such as plasmas and dilute gases. The equations of motion are exploited to get further insight into the formation and evolution of coherent structures, which often exhibit a singular or collapse type behavior occurring in finite time. It is argued that this technique of solution has a broad applicability due to the simplicity and generality of equations used. The focus is on four different topics, the physics of which being governed by simple fluid equations subject to initial and/or boundary conditions. Whenever possible also experimental results are mentioned. In the expansion of a semi-infinite plasma into a vacuum the energetic ion peak propagating supersonically towards the vacuum-as seen in laboratory experiments-is interpreted by means of the Lagrangian fluid description as a relic of a wave breaking scenario of the corresponding inviscid ion dynamics. The inclusion of viscosity is shown numerically to stabilize the associated density collapse giving rise to a well defined fast ion peak reminiscent of adhesive matter. In purely convection driven flows the Lagrangian flow velocity is given by its initial value and hence the Lagrangian velocity gradient tensor can be evaluated accurately to find out the appearance of singularities in density and vorticity and the emergence of new structures such as wavelets in one-dimension (1D). In cosmology referring to the pancake model of Zel'dovich and the adhesion model of Gurbatov and Saichev, both assuming a clumping of matter at the intersection points of fluid particle trajectories (i.e. at the caustics), the foam-like large-scale structure of our Universe observed recently by Chandra X-ray observatory may be explained by the 3D convection of weakly interacting dark matter. Recent developments in plasma and nanotechnology-the miniaturization and fabrication of nanoelectronic devices being one example-have reinforced the interest in the quasi-ballistic electron transport in diodes and triodes, a field which turns out to be best treated by the Lagrangian fluid description. It is shown that the well-known space-charge-limited flow given by Child-Langmuir turns out to be incorrect in cases of finite electron injection velocities at the emitting electrode. In that case it is an intrinsic bifurcation scenario which is responsible for current limitation rather than electron reflection at the virtual cathode as intuitively assumed by Langmuir. The inclusion of a Drude friction term in the electron momentum equation can be handled solely by the Lagrangian fluid description. Exploiting the formula in case of field emission it is possible to bridge ballistic and drift-dominated transport. Furthermore, the transient processes in the electron transport triggered by the switching of the anode potential are shown to be perfectly accounted for by means of the Lagrangian fluid description. Finally, by use of the Lagrangian ion fluid equations in case of a two component, current driven plasma we derive a system of two coupled scalar wave equations which involve the specific volume of ions and electrons, respectively. It has a small amplitude strange soliton solution with unusual scaling properties. In case of charge neutrality the existence of two types of collapses are predicted, one being associated with a density excavation, the other one with a density clumping as in the laser induced ion expansion problem and in the cosmic sticking matter problem. However, only the latter will survive charge separation and hence be observable. In summary, the Lagrangian method of solving fluid equations turns out to be a powerful tool for compressible media in general. It offers new perspectives and addresses to a broad audience of physicists with interest in fields such as plasma and fluid dynamics, semiconductor- and astrophysics, to mention few of them.

  10. Generalized simulation technique for turbojet engine system analysis

    NASA Technical Reports Server (NTRS)

    Seldner, K.; Mihaloew, J. R.; Blaha, R. J.

    1972-01-01

    A nonlinear analog simulation of a turbojet engine was developed. The purpose of the study was to establish simulation techniques applicable to propulsion system dynamics and controls research. A schematic model was derived from a physical description of a J85-13 turbojet engine. Basic conservation equations were applied to each component along with their individual performance characteristics to derive a mathematical representation. The simulation was mechanized on an analog computer. The simulation was verified in both steady-state and dynamic modes by comparing analytical results with experimental data obtained from tests performed at the Lewis Research Center with a J85-13 engine. In addition, comparison was also made with performance data obtained from the engine manufacturer. The comparisons established the validity of the simulation technique.

  11. A survey of automated methods for sensemaking support

    NASA Astrophysics Data System (ADS)

    Llinas, James

    2014-05-01

    Complex, dynamic problems in general present a challenge for the design of analysis support systems and tools largely because there is limited reliable a priori procedural knowledge descriptive of the dynamic processes in the environment. Problem domains that are non-cooperative or adversarial impute added difficulties involving suboptimal observational data and/or data containing the effects of deception or covertness. The fundamental nature of analysis in these environments is based on composite approaches involving mining or foraging over the evidence, discovery and learning processes, and the synthesis of fragmented hypotheses; together, these can be labeled as sensemaking procedures. This paper reviews and analyzes the features, benefits, and limitations of a variety of automated techniques that offer possible support to sensemaking processes in these problem domains.

  12. Stationary stability for evolutionary dynamics in finite populations

    DOE PAGES

    Harper, Marc; Fryer, Dashiell

    2016-08-25

    Here, we demonstrate a vast expansion of the theory of evolutionary stability to finite populations with mutation, connecting the theory of the stationary distribution of the Moran process with the Lyapunov theory of evolutionary stability. We define the notion of stationary stability for the Moran process with mutation and generalizations, as well as a generalized notion of evolutionary stability that includes mutation called an incentive stable state (ISS) candidate. For sufficiently large populations, extrema of the stationary distribution are ISS candidates and we give a family of Lyapunov quantities that are locally minimized at the stationary extrema and at ISSmore » candidates. In various examples, including for the Moran andWright–Fisher processes, we show that the local maxima of the stationary distribution capture the traditionally-defined evolutionarily stable states. The classical stability theory of the replicator dynamic is recovered in the large population limit. Finally we include descriptions of possible extensions to populations of variable size and populations evolving on graphs.« less

  13. The writer independent online handwriting recognition system frog on hand and cluster generative statistical dynamic time warping.

    PubMed

    Bahlmann, Claus; Burkhardt, Hans

    2004-03-01

    In this paper, we give a comprehensive description of our writer-independent online handwriting recognition system frog on hand. The focus of this work concerns the presentation of the classification/training approach, which we call cluster generative statistical dynamic time warping (CSDTW). CSDTW is a general, scalable, HMM-based method for variable-sized, sequential data that holistically combines cluster analysis and statistical sequence modeling. It can handle general classification problems that rely on this sequential type of data, e.g., speech recognition, genome processing, robotics, etc. Contrary to previous attempts, clustering and statistical sequence modeling are embedded in a single feature space and use a closely related distance measure. We show character recognition experiments of frog on hand using CSDTW on the UNIPEN online handwriting database. The recognition accuracy is significantly higher than reported results of other handwriting recognition systems. Finally, we describe the real-time implementation of frog on hand on a Linux Compaq iPAQ embedded device.

  14. Global Aspects of Charged Particle Motion in Axially Symmetric Multipole Magnetic Fields

    NASA Technical Reports Server (NTRS)

    Shebalin, John V.

    2003-01-01

    The motion of a single charged particle in the space outside of a compact region of steady currents is investigated. The charged particle is assumed to produce negligible electromagnetic radiation, so that its energy is conserved. The source of the magnetic field is represented as a point multipole. After a general description, attention is focused on magnetic fields with axial symmetry. Lagrangian dynamical theory is utilized to identify constants of the motion as well as the equations of motion themselves. The qualitative method of Stonner is used to examine charged particle motion in axisymmetric multipole fields of all orders. Although the equations of motion generally have no analytical solutions and must be integrated numerically to produce a specific orbit, a topological examination of dynamics is possible, and can be used, d la Stonner, to completely describe the global aspects of the motion of a single charged particle in a space with an axisymmetric multipole magnetic field.

  15. Gravitational-Wave Tests of General Relativity with Ground-Based Detectors and Pulsar-Timing Arrays.

    PubMed

    Yunes, Nicolás; Siemens, Xavier

    2013-01-01

    This review is focused on tests of Einstein's theory of general relativity with gravitational waves that are detectable by ground-based interferometers and pulsar-timing experiments. Einstein's theory has been greatly constrained in the quasi-linear, quasi-stationary regime, where gravity is weak and velocities are small. Gravitational waves will allow us to probe a complimentary, yet previously unexplored regime: the non-linear and dynamical strong-field regime . Such a regime is, for example, applicable to compact binaries coalescing, where characteristic velocities can reach fifty percent the speed of light and gravitational fields are large and dynamical. This review begins with the theoretical basis and the predicted gravitational-wave observables of modified gravity theories. The review continues with a brief description of the detectors, including both gravitational-wave interferometers and pulsar-timing arrays, leading to a discussion of the data analysis formalism that is applicable for such tests. The review ends with a discussion of gravitational-wave tests for compact binary systems.

  16. Consistent multiphase-field theory for interface driven multidomain dynamics

    NASA Astrophysics Data System (ADS)

    Tóth, Gyula I.; Pusztai, Tamás; Gránásy, László

    2015-11-01

    We present a multiphase-field theory for describing pattern formation in multidomain and/or multicomponent systems. The construction of the free energy functional and the dynamic equations is based on criteria that ensure mathematical and physical consistency. We first analyze previous multiphase-field theories and identify their advantageous and disadvantageous features. On the basis of this analysis, we introduce a way of constructing the free energy surface and derive a generalized multiphase description for arbitrary number of phases (or domains). The presented approach retains the variational formalism, reduces (or extends) naturally to lower (or higher) number of fields on the level of both the free energy functional and the dynamic equations, enables the use of arbitrary pairwise equilibrium interfacial properties, penalizes multiple junctions increasingly with the number of phases, ensures non-negative entropy production and the convergence of the dynamic solutions to the equilibrium solutions, and avoids the appearance of spurious phases on binary interfaces. The approach is tested for multicomponent phase separation and grain coarsening.

  17. Window Glasses: State and Prospects

    NASA Astrophysics Data System (ADS)

    Maiorov, V. A.

    2018-04-01

    Analysis and generalization of the results of investigations devoted to the improvement of optical properties have been carried out, and descriptions of a structure and a reaction mechanism of available and promising window glasses with solar radiation are presented. All devices are divided into groups with static constant and dynamic regulated spectral characteristics. The group of static glasses includes heat-protective and spectrally selective glasses with low-emissivity coatings and infrared filters with dispersed plasmonic nanoparticles. Electrochromic glasses, nanostructured dynamic infrared filters, and glasses with separated regulation of the transmission of visible-light and near-infrared radiation are dynamic devices. It is noted that the use of mesoporous films made of plasmonic nanoparticles open up especially wide possibilities. Their application allows one to realize a dynamic separated regulation of the transmission of visible light and nearinfrared radiation in which, under the gradual increase in the electric potential on the glass, mechanisms of plasmon and polaron reduction of solar radiation gradually change the glass' condition from light warm to light cold and then to dark cold consecutively.

  18. Combining pressure and temperature control in dynamics on energy landscapes

    NASA Astrophysics Data System (ADS)

    Hoffmann, Karl Heinz; Christian Schön, J.

    2017-05-01

    Complex systems from science, technology or mathematics usually appear to be very different in their specific dynamical evolution. However, the concept of an energy landscape with its basins corresponding to locally ergodic regions separated by energy barriers provides a unifying approach to the description of complex systems dynamics. In such systems one is often confronted with the task to control the dynamics such that a certain basin is reached with the highest possible probability. Typically one aims for the global minimum, e.g. when dealing with global optimization problems, but frequently other local minima such as the metastable compounds in materials science are of primary interest. Here we show how this task can be solved by applying control theory using magnesium fluoride as an example system, where different modifications of MgF2 are considered as targets. In particular, we generalize previous work restricted to temperature controls only and present controls which simultaneously adjust temperature and pressure in an optimal fashion.

  19. Adaptive switching of interaction potentials in the time domain: an extended Lagrangian approach tailored to transmute force field to QM/MM simulations and back.

    PubMed

    Böckmann, Marcus; Doltsinis, Nikos L; Marx, Dominik

    2015-06-09

    An extended Lagrangian formalism that allows for a smooth transition between two different descriptions of interactions during a molecular dynamics simulation is presented. This time-adaptive method is particularly useful in the context of multiscale simulation as it provides a sound recipe to switch on demand between different hierarchical levels of theory, for instance between ab initio ("QM") and force field ("MM") descriptions of a given (sub)system in the course of a molecular dynamics simulation. The equations of motion can be integrated straightforwardly using the usual propagators, such as the Verlet algorithm. First test cases include a bath of harmonic oscillators, of which a subset is switched to a different force constant and/or equilibrium position, as well as an all-MM to QM/MM transition in a hydrogen-bonded water dimer. The method is then applied to a smectic 8AB8 liquid crystal and is shown to be able to switch dynamically a preselected 8AB8 molecule from an all-MM to a QM/MM description which involves partition boundaries through covalent bonds. These examples show that the extended Lagrangian approach is not only easy to implement into existing code but that it is also efficient and robust. The technique moreover provides easy access to a conserved energy quantity, also in cases when Nosé-Hoover chain thermostatting is used throughout dynamical switching. A simple quadratic driving potential proves to be sufficient to guarantee a smooth transition whose time scale can be easily tuned by varying the fictitious mass parameter associated with the auxiliary variable used to extend the Lagrangian. The method is general and can be applied to time-adaptive switching on demand between two different levels of theory within the framework of hybrid scale-bridging simulations.

  20. Constructive methods of invariant manifolds for kinetic problems

    NASA Astrophysics Data System (ADS)

    Gorban, Alexander N.; Karlin, Iliya V.; Zinovyev, Andrei Yu.

    2004-06-01

    The concept of the slow invariant manifold is recognized as the central idea underpinning a transition from micro to macro and model reduction in kinetic theories. We present the Constructive Methods of Invariant Manifolds for model reduction in physical and chemical kinetics, developed during last two decades. The physical problem of reduced description is studied in the most general form as a problem of constructing the slow invariant manifold. The invariance conditions are formulated as the differential equation for a manifold immersed in the phase space ( the invariance equation). The equation of motion for immersed manifolds is obtained ( the film extension of the dynamics). Invariant manifolds are fixed points for this equation, and slow invariant manifolds are Lyapunov stable fixed points, thus slowness is presented as stability. A collection of methods to derive analytically and to compute numerically the slow invariant manifolds is presented. Among them, iteration methods based on incomplete linearization, relaxation method and the method of invariant grids are developed. The systematic use of thermodynamics structures and of the quasi-chemical representation allow to construct approximations which are in concordance with physical restrictions. The following examples of applications are presented: nonperturbative deviation of physically consistent hydrodynamics from the Boltzmann equation and from the reversible dynamics, for Knudsen numbers Kn∼1; construction of the moment equations for nonequilibrium media and their dynamical correction (instead of extension of list of variables) to gain more accuracy in description of highly nonequilibrium flows; determination of molecules dimension (as diameters of equivalent hard spheres) from experimental viscosity data; model reduction in chemical kinetics; derivation and numerical implementation of constitutive equations for polymeric fluids; the limits of macroscopic description for polymer molecules, etc.

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

    Sissa, Cristina; Delchiaro, Francesca; Di Maiolo, Francesco

    Essential-state models efficiently describe linear and nonlinear spectral properties of different families of charge-transfer chromophores. Here, the essential-state machinery is applied to the calculation of the early-stage dynamics after ultrafast (coherent) excitation of polar and quadrupolar chromophores. The fully non-adiabatic treatment of coupled electronic and vibrational motion allows for a reliable description of the dynamics of these intriguing systems. In particular, the proposed approach is reliable even when the adiabatic and harmonic approximations do not apply, such as for quadrupolar dyes that show a multistable, broken-symmetry excited state. Our approach quite naturally leads to a clear picture for a dynamicalmore » Jahn-Teller effect in these systems. The recovery of symmetry due to dynamical effects is however disrupted in polar solvents where a static symmetry lowering is observed. More generally, thermal disorder in polar solvents is responsible for dephasing phenomena, damping the coherent oscillations with particularly important effects in the case of polar dyes.« less

  2. Unfolding and melting of DNA (RNA) hairpins: the concept of structure-specific 2D dynamic landscapes.

    PubMed

    Lin, Milo M; Meinhold, Lars; Shorokhov, Dmitry; Zewail, Ahmed H

    2008-08-07

    A 2D free-energy landscape model is presented to describe the (un)folding transition of DNA/RNA hairpins, together with molecular dynamics simulations and experimental findings. The dependence of the (un)folding transition on the stem sequence and the loop length is shown in the enthalpic and entropic contributions to the free energy. Intermediate structures are well defined by the two coordinates of the landscape during (un)zipping. Both the free-energy landscape model and the extensive molecular dynamics simulations totaling over 10 mus predict the existence of temperature-dependent kinetic intermediate states during hairpin (un)zipping and provide the theoretical description of recent ultrafast temperature-jump studies which indicate that hairpin (un)zipping is, in general, not a two-state process. The model allows for lucid prediction of the collapsed state(s) in simple 2D space and we term it the kinetic intermediate structure (KIS) model.

  3. Hydrodynamics of stratified epithelium: Steady state and linearized dynamics

    NASA Astrophysics Data System (ADS)

    Yeh, Wei-Ting; Chen, Hsuan-Yi

    2016-05-01

    A theoretical model for stratified epithelium is presented. The viscoelastic properties of the tissue are assumed to be dependent on the spatial distribution of proliferative and differentiated cells. Based on this assumption, a hydrodynamic description of tissue dynamics at the long-wavelength, long-time limit is developed, and the analysis reveals important insights into the dynamics of an epithelium close to its steady state. When the proliferative cells occupy a thin region close to the basal membrane, the relaxation rate towards the steady state is enhanced by cell division and cell apoptosis. On the other hand, when the region where proliferative cells reside becomes sufficiently thick, a flow induced by cell apoptosis close to the apical surface enhances small perturbations. This destabilizing mechanism is general for continuous self-renewal multilayered tissues; it could be related to the origin of certain tissue morphology, tumor growth, and the development pattern.

  4. Generalized formalism for information backflow in assessing Markovianity and its equivalence to divisibility

    NASA Astrophysics Data System (ADS)

    Chakraborty, Sagnik

    2018-03-01

    We present a general framework for the information backflow (IB) approach of Markovianity that not only includes a large number, if not all, of IB prescriptions proposed so far but also is equivalent to completely positive divisibility for invertible evolutions. Following the common approach of IB, where monotonic decay of some physical property or some information quantifier is seen as the definition of Markovianity, we propose in our framework a general description of what should be called a proper "physicality quantifier" to define Markovianity. We elucidate different properties of our framework and use them to argue that an infinite family of non-Markovianity measures can be constructed, which would capture varied strengths of non-Markovianity in the dynamics. Moreover, we show that generalized trace-distance measure in two dimensions serve as a sufficient criteria for IB Markovianity for a number of prescriptions suggested earlier in the literature.

  5. Logic Dynamics for Deductive Inference -- Its Stability and Neural Basis

    NASA Astrophysics Data System (ADS)

    Tsuda, Ichiro

    2014-12-01

    We propose a dynamical model that represents a process of deductive inference. We discuss the stability of logic dynamics and a neural basis for the dynamics. We propose a new concept of descriptive stability, thereby enabling a structure of stable descriptions of mathematical models concerning dynamic phenomena to be clarified. The present theory is based on the wider and deeper thoughts of John S. Nicolis. In particular, it is based on our joint paper on the chaos theory of human short-term memories with a magic number of seven plus or minus two.

  6. Statistical genetics and evolution of quantitative traits

    NASA Astrophysics Data System (ADS)

    Neher, Richard A.; Shraiman, Boris I.

    2011-10-01

    The distribution and heritability of many traits depends on numerous loci in the genome. In general, the astronomical number of possible genotypes makes the system with large numbers of loci difficult to describe. Multilocus evolution, however, greatly simplifies in the limit of weak selection and frequent recombination. In this limit, populations rapidly reach quasilinkage equilibrium (QLE) in which the dynamics of the full genotype distribution, including correlations between alleles at different loci, can be parametrized by the allele frequencies. This review provides a simplified exposition of the concept and mathematics of QLE which is central to the statistical description of genotypes in sexual populations. Key results of quantitative genetics such as the generalized Fisher’s “fundamental theorem,” along with Wright’s adaptive landscape, are shown to emerge within QLE from the dynamics of the genotype distribution. This is followed by a discussion under what circumstances QLE is applicable, and what the breakdown of QLE implies for the population structure and the dynamics of selection. Understanding the fundamental aspects of multilocus evolution obtained through simplified models may be helpful in providing conceptual and computational tools to address the challenges arising in the studies of complex quantitative phenotypes of practical interest.

  7. Underlying dynamics of typical fluctuations of an emerging market price index: The Heston model from minutes to months

    NASA Astrophysics Data System (ADS)

    Vicente, Renato; de Toledo, Charles M.; Leite, Vitor B. P.; Caticha, Nestor

    2006-02-01

    We investigate the Heston model with stochastic volatility and exponential tails as a model for the typical price fluctuations of the Brazilian São Paulo Stock Exchange Index (IBOVESPA). Raw prices are first corrected for inflation and a period spanning 15 years characterized by memoryless returns is chosen for the analysis. Model parameters are estimated by observing volatility scaling and correlation properties. We show that the Heston model with at least two time scales for the volatility mean reverting dynamics satisfactorily describes price fluctuations ranging from time scales larger than 20 min to 160 days. At time scales shorter than 20 min we observe autocorrelated returns and power law tails incompatible with the Heston model. Despite major regulatory changes, hyperinflation and currency crises experienced by the Brazilian market in the period studied, the general success of the description provided may be regarded as an evidence for a general underlying dynamics of price fluctuations at intermediate mesoeconomic time scales well approximated by the Heston model. We also notice that the connection between the Heston model and Ehrenfest urn models could be exploited for bringing new insights into the microeconomic market mechanics.

  8. Generalized activity equations for spiking neural network dynamics.

    PubMed

    Buice, Michael A; Chow, Carson C

    2013-01-01

    Much progress has been made in uncovering the computational capabilities of spiking neural networks. However, spiking neurons will always be more expensive to simulate compared to rate neurons because of the inherent disparity in time scales-the spike duration time is much shorter than the inter-spike time, which is much shorter than any learning time scale. In numerical analysis, this is a classic stiff problem. Spiking neurons are also much more difficult to study analytically. One possible approach to making spiking networks more tractable is to augment mean field activity models with some information about spiking correlations. For example, such a generalized activity model could carry information about spiking rates and correlations between spikes self-consistently. Here, we will show how this can be accomplished by constructing a complete formal probabilistic description of the network and then expanding around a small parameter such as the inverse of the number of neurons in the network. The mean field theory of the system gives a rate-like description. The first order terms in the perturbation expansion keep track of covariances.

  9. Dynamics of two-phase interfaces and surface tensions: A density-functional theory perspective

    NASA Astrophysics Data System (ADS)

    Yatsyshin, Petr; Sibley, David N.; Duran-Olivencia, Miguel A.; Kalliadasis, Serafim

    2016-11-01

    Classical density functional theory (DFT) is a statistical mechanical framework for the description of fluids at the nanoscale, where the inhomogeneity of the fluid structure needs to be carefully accounted for. By expressing the grand free-energy of the fluid as a functional of the one-body density, DFT offers a theoretically consistent and computationally accessible way to obtain two-phase interfaces and respective interfacial tensions in a ternary solid-liquid-gas system. The dynamic version of DFT (DDFT) can be rigorously derived from the Smoluchowsky picture of the dynamics of colloidal particles in a solvent. It is generally agreed that DDFT can capture the diffusion-driven evolution of many soft-matter systems. In this context, we use DDFT to investigate the dynamic behaviour of two-phase interfaces in both equilibrium and dynamic wetting and discuss the possibility of defining a time-dependent surface tension, which still remains in debate. We acknowledge financial support from the European Research Council via Advanced Grant No. 247031 and from the Engineering and Physical Sciences Research Council of the UK via Grants No. EP/L027186 and EP/L020564.

  10. Effect of the barometric phase transition of a DMPA bilayer on the lipid/water interface. An atomistic description by molecular dynamics simulation.

    PubMed

    Casares, J J Giner; Camacho, L; Romero, M T Martín; Cascales, J J López

    2007-12-13

    Understanding the structure and dynamics of phospholipid bilayers is of fundamental relevance in biophysics, biochemistry, and chemical physics. Lipid Langmuir monolayers are used as a model of lipid bilayers, because they are much more easily studied experimentally, although some authors question the validity of this model. With the aim of throwing light on this debate, we used molecular dynamics simulations to obtain an atomistic description of a membrane of dimyristoylphosphatidic acid under different surface pressures. Our results show that at low surface pressure the interdigitation between opposite lipids (that is, back-to-back interactions) controls the system structure. In this setting and due to the absence of this effect in the Langmuir monolayers, the behavior between these two systems differs considerably. However, when the surface pressure increases the lipid interdigitation diminishes and so monolayer and bilayer behavior converges. In this work, four computer simulations were carried out, subjecting the phospholipids to lateral pressures ranging from 0.17 to 40 mN/m. The phospholipids were studied in their charged state because this approach is closer to the experimental situation. Special attention was paid to validating our simulation results by comparison with available experimental data, therebeing in general excellent agreement between experimental and simulation data. In addition, the properties of the lipid/solution interface associated with the lipid barometric phase transition were studied.

  11. On the role of fluctuations in the modeling of complex systems.

    NASA Astrophysics Data System (ADS)

    Droz, Michel; Pekalski, Andrzej

    2016-09-01

    The study of models is ubiquitous in sciences like physics, chemistry, ecology, biology or sociology. Models are used to explain experimental facts or to make new predictions. For any system, one can distinguish several levels of description. In the simplest mean-field like description the dynamics is described in terms of spatially averaged quantities while in a microscopic approach local properties are taken into account and local fluctuations for the relevant variables are present. The properties predicted by these two different approaches may be drastically different. In a large body of research literature concerning complex systems this problem is often overlooked and simple mean-field like approximation are used without asking the question of the robustness of the corresponding predictions. The goal of this paper is twofold, first to illustrate the importance of the fluctuations in a self-contained and pedagogical way, by revisiting two different classes of problems where thorough investigations have been conducted (equilibrium and non-equilibrium statistical physics). Second, we present our original research on the dynamics of population of annual plants which are competing among themselves for just one resource (water) through a stochastic dynamics. Depending on the observable considered, the mean-field like and microscopic approaches agree or totally disagree. There is not a general criterion allowing to decide a priori when the two approaches will agree.

  12. 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.

  13. Archive data base and handling system for the Orbiter flying qualities experiment program

    NASA Technical Reports Server (NTRS)

    Myers, T. T.; Dimarco, R.; Magdaleno, R. E.; Aponso, B. L.

    1986-01-01

    The OFQ archives data base and handling system assembled as part of the Orbiter Flying Qualities (OFQ) research of the Orbiter Experiments Program (EOX) are described. The purpose of the OFQ archives is to preserve and document shuttle flight data relevant to vehicle dynamics, flight control, and flying qualities in a form that permits maximum use for qualified users. In their complete form, the OFQ archives contain descriptive text (general information about the flight, signal descriptions and units) as well as numerical time history data. Since the shuttle program is so complex, the official data base contains thousands of signals and very complex entries are required to obtain data. The OFQ archives are intended to provide flight phase oriented data subsets with relevant signals which are easily identified for flying qualities research.

  14. Collective effects in models for interacting molecular motors and motor-microtubule mixtures

    NASA Astrophysics Data System (ADS)

    Menon, Gautam I.

    2006-12-01

    Three problems in the statistical mechanics of models for an assembly of molecular motors interacting with cytoskeletal filaments are reviewed. First, a description of the hydrodynamical behaviour of density-density correlations in fluctuating ratchet models for interacting molecular motors is outlined. Numerical evidence indicates that the scaling properties of dynamical behaviour in such models belong to the KPZ universality class. Second, the generalization of such models to include boundary injection and removal of motors is provided. In common with known results for the asymmetric exclusion processes, simulations indicate that such models exhibit sharp boundary driven phase transitions in the thermodynamic limit. In the third part of this paper, recent progress towards a continuum description of pattern formation in mixtures of motors and microtubules is described, and a non-equilibrium “phase-diagram” for such systems discussed.

  15. Microscopic description of orbital-selective spin ordering in BaMn2As2

    NASA Astrophysics Data System (ADS)

    Craco, L.; Carara, S. S.

    2018-05-01

    Using generalized gradient approximation+dynamical mean-field theory, we provide a microscopic description of orbital-selective spin ordering in the tetragonal manganese pnictide BaMn2As2 . We demonstrate the coexistence of local moments and small band-gap electronic states in the parent compound. We also explore the role played by electron/hole doping, showing that the Mott insulating state is rather robust to small removal of electron charge carriers similar to cuprate oxide superconductors. Good qualitative accord between theory and angle-resolved photoemission as well as electrical transport provides support to our view of orbital-selective spin ordering in BaMn2As2 . Our proposal is expected to be an important step to understanding the emergent correlated electronic structure of materials with persisting ordered localized moments coexisting with Coulomb reconstructed nonmagnetic electronic states.

  16. Microscopic Lagrangian description of warm plasmas. I - Linear wave propagation. II - Nonlinear wave interactions

    NASA Technical Reports Server (NTRS)

    Kim, H.; Crawford, F. W.

    1977-01-01

    It is pointed out that the conventional iterative analysis of nonlinear plasma wave phenomena, which involves a direct use of Maxwell's equations and the equations describing the particle dynamics, leads to formidable theoretical and algebraic complexities, especially for warm plasmas. As an effective alternative, the Lagrangian method may be applied. It is shown how this method may be used in the microscopic description of small-signal wave propagation and in the study of nonlinear wave interactions. The linear theory is developed for an infinite, homogeneous, collisionless, warm magnetoplasma. A summary is presented of a perturbation expansion scheme described by Galloway and Kim (1971), and Lagrangians to third order in perturbation are considered. Attention is given to the averaged-Lagrangian density, the action-transfer and coupled-mode equations, and the general solution of the coupled-mode equations.

  17. 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.

  18. Application of the Rangeland Hydrology and Erosion Model to Ecological Site Descriptions and Management

    USDA-ARS?s Scientific Manuscript database

    The utility of Ecological Site Descriptions (ESDs) and State-and-Transition Models (STMs) concepts in guiding rangeland management hinges on their ability to accurately describe and predict community dynamics and the associated consequences. For many rangeland ecosystems, plant community dynamics ar...

  19. Descriptive and dynamic psychiatry: a perspective on DSM-III.

    PubMed

    Frances, A; Cooper, A M

    1981-09-01

    The APA Task Force on Nomenclature and Statistics attempted to make DSM-III a descriptive nosology that is atheoretical in regard to etiology. The authors believe that a sharp polarity between morphological classification and explanatory formulation is artificial and misleading, and they critically review DSM-III from a psychodynamic perspective. They compare and contrast the descriptive orientation in psychiatry with the psychodynamic orientation and conclude that the two approaches overlap, that they are complementary and necessary to each other, and that there is a descriptive data base underlying dynamic psychiatry which may be usefully included in future nomenclatures.

  20. Continuum description of ionic and dielectric shielding for molecular-dynamics simulations of proteins in solution

    NASA Astrophysics Data System (ADS)

    Egwolf, Bernhard; Tavan, Paul

    2004-01-01

    We extend our continuum description of solvent dielectrics in molecular-dynamics (MD) simulations [B. Egwolf and P. Tavan, J. Chem. Phys. 118, 2039 (2003)], which has provided an efficient and accurate solution of the Poisson equation, to ionic solvents as described by the linearized Poisson-Boltzmann (LPB) equation. We start with the formulation of a general theory for the electrostatics of an arbitrarily shaped molecular system, which consists of partially charged atoms and is embedded in a LPB continuum. This theory represents the reaction field induced by the continuum in terms of charge and dipole densities localized within the molecular system. Because these densities cannot be calculated analytically for systems of arbitrary shape, we introduce an atom-based discretization and a set of carefully designed approximations. This allows us to represent the densities by charges and dipoles located at the atoms. Coupled systems of linear equations determine these multipoles and can be rapidly solved by iteration during a MD simulation. The multipoles yield the reaction field forces and energies. Finally, we scrutinize the quality of our approach by comparisons with an analytical solution restricted to perfectly spherical systems and with results of a finite difference method.

  1. Behavior dynamics: One perspective

    PubMed Central

    Marr, M. Jackson

    1992-01-01

    Behavior dynamics is a field devoted to analytic descriptions of behavior change. A principal source of both models and methods for these descriptions is found in physics. This approach is an extension of a long conceptual association between behavior analysis and physics. A theme common to both is the role of molar versus molecular events in description and prediction. Similarities and differences in how these events are treated are discussed. Two examples are presented that illustrate possible correspondence between mechanical and behavioral systems. The first demonstrates the use of a mechanical model to describe the molar properties of behavior under changing reinforcement conditions. The second, dealing with some features of concurrent schedules, focuses on the possible utility of nonlinear dynamical systems to the description of both molar and molecular behavioral events as the outcome of a deterministic, but chaotic, process. PMID:16812655

  2. Galerkin Method for Nonlinear Dynamics

    NASA Astrophysics Data System (ADS)

    Noack, Bernd R.; Schlegel, Michael; Morzynski, Marek; Tadmor, Gilead

    A Galerkin method is presented for control-oriented reduced-order models (ROM). This method generalizes linear approaches elaborated by M. Morzyński et al. for the nonlinear Navier-Stokes equation. These ROM are used as plants for control design in the chapters by G. Tadmor et al., S. Siegel, and R. King in this volume. Focus is placed on empirical ROM which compress flow data in the proper orthogonal decomposition (POD). The chapter shall provide a complete description for construction of straight-forward ROM as well as the physical understanding and teste

  3. Nonisothermal fluctuating hydrodynamics and Brownian motion

    NASA Astrophysics Data System (ADS)

    Falasco, G.; Kroy, K.

    2016-03-01

    The classical theory of Brownian dynamics follows from coarse graining the underlying linearized fluctuating hydrodynamics of the solvent. We extend this procedure to globally nonisothermal conditions, requiring only a local thermal equilibration of the solvent. Starting from the conservation laws, we establish the stochastic equations of motion for the fluid momentum fluctuations in the presence of a suspended Brownian particle. These are then contracted to the nonisothermal generalized Langevin description of the suspended particle alone, for which the coupling to stochastic temperature fluctuations is found to be negligible under typical experimental conditions.

  4. Hydrological Validation of The Lpj Dynamic Global Vegetation Model - First Results and Required Actions

    NASA Astrophysics Data System (ADS)

    Haberlandt, U.; Gerten, D.; Schaphoff, S.; Lucht, W.

    Dynamic global vegetation models are developed with the main purpose to describe the spatio-temporal dynamics of vegetation at the global scale. Increasing concern about climate change impacts has put the focus of recent applications on the sim- ulation of the global carbon cycle. Water is a prime driver of biogeochemical and biophysical processes, thus an appropriate representation of the water cycle is crucial for their proper simulation. However, these models usually lack thorough validation of the water balance they produce. Here we present a hydrological validation of the current version of the LPJ (Lund- Potsdam-Jena) model, a dynamic global vegetation model operating at daily time steps. Long-term simulated runoff and evapotranspiration are compared to literature values, results from three global hydrological models, and discharge observations from various macroscale river basins. It was found that the seasonal and spatial patterns of the LPJ-simulated average values correspond well both with the measurements and the results from the stand-alone hy- drological models. However, a general underestimation of runoff occurs, which may be attributable to the low input dynamics of precipitation (equal distribution within a month), to the simulated vegetation pattern (potential vegetation without anthro- pogenic influence), and to some generalizations of the hydrological components in LPJ. Future research will focus on a better representation of the temporal variability of climate forcing, improved description of hydrological processes, and on the consider- ation of anthropogenic land use.

  5. Stochastic collective dynamics of charged-particle beams in the stability regime

    NASA Astrophysics Data System (ADS)

    Petroni, Nicola Cufaro; de Martino, Salvatore; de Siena, Silvio; Illuminati, Fabrizio

    2001-01-01

    We introduce a description of the collective transverse dynamics of charged (proton) beams in the stability regime by suitable classical stochastic fluctuations. In this scheme, the collective beam dynamics is described by time-reversal invariant diffusion processes deduced by stochastic variational principles (Nelson processes). By general arguments, we show that the diffusion coefficient, expressed in units of length, is given by λcN, where N is the number of particles in the beam and λc the Compton wavelength of a single constituent. This diffusion coefficient represents an effective unit of beam emittance. The hydrodynamic equations of the stochastic dynamics can be easily recast in the form of a Schrödinger equation, with the unit of emittance replacing the Planck action constant. This fact provides a natural connection to the so-called ``quantum-like approaches'' to beam dynamics. The transition probabilities associated to Nelson processes can be exploited to model evolutions suitable to control the transverse beam dynamics. In particular we show how to control, in the quadrupole approximation to the beam-field interaction, both the focusing and the transverse oscillations of the beam, either together or independently.

  6. Higher-order theories of gravity: diagnosis, extraction and reformulation via non-metric extra degrees of freedom—a review

    NASA Astrophysics Data System (ADS)

    Belenchia, Alessio; Letizia, Marco; Liberati, Stefano; Di Casola, Eolo

    2018-03-01

    Modifications of Einstein’s theory of gravitation have been extensively considered in the past years, in connection to both cosmology and quantum gravity. Higher-curvature and higher-derivative gravity theories constitute the main examples of such modifications. These theories exhibit, in general, more degrees of freedom than those found in standard general relativity; counting, identifying, and retrieving the description/representation of such dynamical variables is currently an open problem, and a decidedly nontrivial one. In this work we review, via both formal arguments and custom-made examples, the most relevant methods to unveil the gravitational degrees of freedom of a given model, discussing the merits, subtleties and pitfalls of the various approaches.

  7. Assessment, Planning, and Execution Considerations for Conjunction Risk Assessment and Mitigation Operations

    NASA Technical Reports Server (NTRS)

    Frigm, Ryan C.; Levi, Joshua A.; Mantziaras, Dimitrios C.

    2010-01-01

    An operational Conjunction Assessment Risk Analysis (CARA) concept is the real-time process of assessing risk posed by close approaches and reacting to those risks if necessary. The most effective way to completely mitigate conjunction risk is to perform an avoidance maneuver. The NASA Goddard Space Flight Center has implemented a routine CARA process since 2005. Over this period, considerable experience has been gained and many lessons have been learned. This paper identifies and presents these experiences as general concepts in the description of the Conjunction Assessment, Flight Dynamics, and Flight Operations methodologies and processes. These general concepts will be tied together and will be exemplified through a case study of an actual high risk conjunction event for the Aura mission.

  8. Higher-order theories of gravity: diagnosis, extraction and reformulation via non-metric extra degrees of freedom-a review.

    PubMed

    Belenchia, Alessio; Letizia, Marco; Liberati, Stefano; Di Casola, Eolo

    2018-03-01

    Modifications of Einstein's theory of gravitation have been extensively considered in the past years, in connection to both cosmology and quantum gravity. Higher-curvature and higher-derivative gravity theories constitute the main examples of such modifications. These theories exhibit, in general, more degrees of freedom than those found in standard general relativity; counting, identifying, and retrieving the description/representation of such dynamical variables is currently an open problem, and a decidedly nontrivial one. In this work we review, via both formal arguments and custom-made examples, the most relevant methods to unveil the gravitational degrees of freedom of a given model, discussing the merits, subtleties and pitfalls of the various approaches.

  9. The Compton generator revisited

    NASA Astrophysics Data System (ADS)

    Siboni, S.

    2014-09-01

    The Compton generator, introduced in 1913 by the US physicist A H Compton as a relatively simple device to detect the Earth's rotation with respect to the distant stars, is analyzed and discussed in a general perspective. The paper introduces a generalized definition of the generator, emphasizing the special features of the original apparatus, and provides a suggestive interpretation of the way the device works. To this end, an intriguing electromagnetic analogy is developed, which turns out to be particularly useful in simplifying the calculations. Besides the more extensive description of the Compton generator in itself, the combined use of concepts and methods coming from different fields of physics, such as particle dynamics in moving references frames, continuum mechanics and electromagnetism, may be of interest to both teachers and graduate students.

  10. Generalized Gibbs distribution and energy localization in the semiclassical FPU problem

    NASA Astrophysics Data System (ADS)

    Hipolito, Rafael; Danshita, Ippei; Oganesyan, Vadim; Polkovnikov, Anatoli

    2011-03-01

    We investigate dynamics of the weakly interacting quantum mechanical Fermi-Pasta-Ulam (qFPU) model in the semiclassical limit below the stochasticity threshold. Within this limit we find that initial quantum fluctuations lead to the damping of FPU oscillations and relaxation of the system to a slowly evolving steady state with energy localized within few momentum modes. We find that in large systems this state can be described by the generalized Gibbs ensemble (GGE), with the Lagrange multipliers being very weak functions of time. This ensembles gives accurate description of the instantaneous correlation functions, both quadratic and quartic. Based on these results we conjecture that GGE generically appears as a prethermalized state in weakly non-integrable systems.

  11. Quantum dynamics in continuum for proton transport II: Variational solvent-solute interface.

    PubMed

    Chen, Duan; Chen, Zhan; Wei, Guo-Wei

    2012-01-01

    Proton transport plays an important role in biological energy transduction and sensory systems. Therefore, it has attracted much attention in biological science and biomedical engineering in the past few decades. The present work proposes a multiscale/multiphysics model for the understanding of the molecular mechanism of proton transport in transmembrane proteins involving continuum, atomic, and quantum descriptions, assisted with the evolution, formation, and visualization of membrane channel surfaces. We describe proton dynamics quantum mechanically via a new density functional theory based on the Boltzmann statistics, while implicitly model numerous solvent molecules as a dielectric continuum to reduce the number of degrees of freedom. The density of all other ions in the solvent is assumed to obey the Boltzmann distribution in a dynamic manner. The impact of protein molecular structure and its charge polarization on the proton transport is considered explicitly at the atomic scale. A variational solute-solvent interface is designed to separate the explicit molecule and implicit solvent regions. We formulate a total free-energy functional to put proton kinetic and potential energies, the free energy of all other ions, and the polar and nonpolar energies of the whole system on an equal footing. The variational principle is employed to derive coupled governing equations for the proton transport system. Generalized Laplace-Beltrami equation, generalized Poisson-Boltzmann equation, and generalized Kohn-Sham equation are obtained from the present variational framework. The variational solvent-solute interface is generated and visualized to facilitate the multiscale discrete/continuum/quantum descriptions. Theoretical formulations for the proton density and conductance are constructed based on fundamental laws of physics. A number of mathematical algorithms, including the Dirichlet-to-Neumann mapping, matched interface and boundary method, Gummel iteration, and Krylov space techniques are utilized to implement the proposed model in a computationally efficient manner. The gramicidin A channel is used to validate the performance of the proposed proton transport model and demonstrate the efficiency of the proposed mathematical algorithms. The proton channel conductances are studied over a number of applied voltages and reference concentrations. A comparison with experimental data verifies the present model predictions and confirms the proposed model. Copyright © 2011 John Wiley & Sons, Ltd.

  12. Causal dissipation for the relativistic dynamics of ideal gases

    NASA Astrophysics Data System (ADS)

    Freistühler, Heinrich; Temple, Blake

    2017-05-01

    We derive a general class of relativistic dissipation tensors by requiring that, combined with the relativistic Euler equations, they form a second-order system of partial differential equations which is symmetric hyperbolic in a second-order sense when written in the natural Godunov variables that make the Euler equations symmetric hyperbolic in the first-order sense. We show that this class contains a unique element representing a causal formulation of relativistic dissipative fluid dynamics which (i) is equivalent to the classical descriptions by Eckart and Landau to first order in the coefficients of viscosity and heat conduction and (ii) has its signal speeds bounded sharply by the speed of light. Based on these properties, we propose this system as a natural candidate for the relativistic counterpart of the classical Navier-Stokes equations.

  13. Signal-Coupled Subthreshold Hopf-Type Systems Show a Sharpened Collective Response

    NASA Astrophysics Data System (ADS)

    Gomez, Florian; Lorimer, Tom; Stoop, Ruedi

    2016-03-01

    Astounding properties of biological sensors can often be mapped onto a dynamical system below the occurrence of a bifurcation. For mammalian hearing, a Hopf bifurcation description has been shown to work across a whole range of scales, from individual hair bundles to whole regions of the cochlea. We reveal here the origin of this scale invariance, from a general level, applicable to all dynamics in the vicinity of a Hopf bifurcation (embracing, e.g., neuronal Hodgkin-Huxley equations). When subject to natural "signal coupling," ensembles of Hopf systems below the bifurcation threshold exhibit a collective Hopf bifurcation. This collective Hopf bifurcation occurs at parameter values substantially below where the average of the individual systems would bifurcate, with a frequency profile that is sharpened if compared to the individual systems.

  14. Multidisciplinary analysis of actively controlled large flexible spacecraft

    NASA Technical Reports Server (NTRS)

    Cooper, Paul A.; Young, John W.; Sutter, Thomas R.

    1986-01-01

    The control of Flexible Structures (COFS) program has supported the development of an analysis capability at the Langley Research Center called the Integrated Multidisciplinary Analysis Tool (IMAT) which provides an efficient data storage and transfer capability among commercial computer codes to aid in the dynamic analysis of actively controlled structures. IMAT is a system of computer programs which transfers Computer-Aided-Design (CAD) configurations, structural finite element models, material property and stress information, structural and rigid-body dynamic model information, and linear system matrices for control law formulation among various commercial applications programs through a common database. Although general in its formulation, IMAT was developed specifically to aid in the evaluation of the structures. A description of the IMAT system and results of an application of the system are given.

  15. Effective Hamiltonian for travelling discrete breathers

    NASA Astrophysics Data System (ADS)

    MacKay, Robert S.; Sepulchre, Jacques-Alexandre

    2002-05-01

    Hamiltonian chains of oscillators in general probably do not sustain exact travelling discrete breathers. However solutions which look like moving discrete breathers for some time are not difficult to observe in numerics. In this paper we propose an abstract framework for the description of approximate travelling discrete breathers in Hamiltonian chains of oscillators. The method is based on the construction of an effective Hamiltonian enabling one to describe the dynamics of the translation degree of freedom of moving breathers. Error estimate on the approximate dynamics is also studied. The concept of the Peierls-Nabarro barrier can be made clear in this framework. We illustrate the method with two simple examples, namely the Salerno model which interpolates between the Ablowitz-Ladik lattice and the discrete nonlinear Schrödinger system, and the Fermi-Pasta-Ulam chain.

  16. Causal dissipation for the relativistic dynamics of ideal gases

    PubMed Central

    2017-01-01

    We derive a general class of relativistic dissipation tensors by requiring that, combined with the relativistic Euler equations, they form a second-order system of partial differential equations which is symmetric hyperbolic in a second-order sense when written in the natural Godunov variables that make the Euler equations symmetric hyperbolic in the first-order sense. We show that this class contains a unique element representing a causal formulation of relativistic dissipative fluid dynamics which (i) is equivalent to the classical descriptions by Eckart and Landau to first order in the coefficients of viscosity and heat conduction and (ii) has its signal speeds bounded sharply by the speed of light. Based on these properties, we propose this system as a natural candidate for the relativistic counterpart of the classical Navier–Stokes equations. PMID:28588397

  17. Causal dissipation for the relativistic dynamics of ideal gases.

    PubMed

    Freistühler, Heinrich; Temple, Blake

    2017-05-01

    We derive a general class of relativistic dissipation tensors by requiring that, combined with the relativistic Euler equations, they form a second-order system of partial differential equations which is symmetric hyperbolic in a second-order sense when written in the natural Godunov variables that make the Euler equations symmetric hyperbolic in the first-order sense. We show that this class contains a unique element representing a causal formulation of relativistic dissipative fluid dynamics which (i) is equivalent to the classical descriptions by Eckart and Landau to first order in the coefficients of viscosity and heat conduction and (ii) has its signal speeds bounded sharply by the speed of light. Based on these properties, we propose this system as a natural candidate for the relativistic counterpart of the classical Navier-Stokes equations.

  18. One-dimensional reduction of viscous jets. I. Theory

    NASA Astrophysics Data System (ADS)

    Pitrou, Cyril

    2018-04-01

    We build a general formalism to describe thin viscous jets as one-dimensional objects with an internal structure. We present in full generality the steps needed to describe the viscous jets around their central line, and we argue that the Taylor expansion of all fields around that line is conveniently expressed in terms of symmetric trace-free tensors living in the two dimensions of the fiber sections. We recover the standard results of axisymmetric jets and we report the first and second corrections to the lowest order description, also allowing for a rotational component around the axis of symmetry. When applied to generally curved fibers, the lowest order description corresponds to a viscous string model whose sections are circular. However, when including the first corrections, we find that curved jets generically develop elliptic sections. Several subtle effects imply that the first corrections cannot be described by a rod model since it amounts to selectively discard some corrections. However, in a fast rotating frame, we find that the dominant effects induced by inertial and Coriolis forces should be correctly described by rod models. For completeness, we also recover the constitutive relations for forces and torques in rod models and exhibit a missing term in the lowest order expression of viscous torque. Given that our method is based on tensors, the complexity of all computations has been beaten down by using an appropriate tensor algebra package such as xAct, allowing us to obtain a one-dimensional description of curved viscous jets with all the first order corrections consistently included. Finally, we find a description for straight fibers with elliptic sections as a special case of these results, and recover that ellipticity is dynamically damped by surface tension. An application to toroidal viscous fibers is presented in the companion paper [Pitrou, Phys. Rev. E 97, 043116 (2018), 10.1103/PhysRevE.97.043116].

  19. 32 CFR 245.11 - General description of the ESCAT plan.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 32 National Defense 2 2010-07-01 2010-07-01 false General description of the ESCAT plan. 245.11... (CONTINUED) MISCELLANEOUS PLAN FOR THE EMERGENCY SECURITY CONTROL OF AIR TRAFFIC (ESCAT) The ESCAT Plan § 245.11 General description of the ESCAT plan. The part defines the authorities, responsibilities, and...

  20. Radiation from quantum weakly dynamical horizons in loop quantum gravity.

    PubMed

    Pranzetti, Daniele

    2012-07-06

    We provide a statistical mechanical analysis of quantum horizons near equilibrium in the grand canonical ensemble. By matching the description of the nonequilibrium phase in terms of weakly dynamical horizons with a local statistical framework, we implement loop quantum gravity dynamics near the boundary. The resulting radiation process provides a quantum gravity description of the horizon evaporation. For large black holes, the spectrum we derive presents a discrete structure which could be potentially observable.

  1. Concepts and tools for predictive modeling of microbial dynamics.

    PubMed

    Bernaerts, Kristel; Dens, Els; Vereecken, Karen; Geeraerd, Annemie H; Standaert, Arnout R; Devlieghere, Frank; Debevere, Johan; Van Impe, Jan F

    2004-09-01

    Description of microbial cell (population) behavior as influenced by dynamically changing environmental conditions intrinsically needs dynamic mathematical models. In the past, major effort has been put into the modeling of microbial growth and inactivation within a constant environment (static models). In the early 1990s, differential equation models (dynamic models) were introduced in the field of predictive microbiology. Here, we present a general dynamic model-building concept describing microbial evolution under dynamic conditions. Starting from an elementary model building block, the model structure can be gradually complexified to incorporate increasing numbers of influencing factors. Based on two case studies, the fundamentals of both macroscopic (population) and microscopic (individual) modeling approaches are revisited. These illustrations deal with the modeling of (i) microbial lag under variable temperature conditions and (ii) interspecies microbial interactions mediated by lactic acid production (product inhibition). Current and future research trends should address the need for (i) more specific measurements at the cell and/or population level, (ii) measurements under dynamic conditions, and (iii) more comprehensive (mechanistically inspired) model structures. In the context of quantitative microbial risk assessment, complexity of the mathematical model must be kept under control. An important challenge for the future is determination of a satisfactory trade-off between predictive power and manageability of predictive microbiology models.

  2. Dynamics of vapor bubbles growth at boiling resulting from enthalpy excess of the surrounding superheated liquid and sound pulses generated by bubbles

    NASA Astrophysics Data System (ADS)

    Dorofeev, B. M.; Volkova, V. I.

    2016-01-01

    The results of experiments investigating the exponential dependence of the vapor bubble radius on time at saturated boiling are generalized. Three different methods to obtain this dependence are suggested: (1) by the application of the transient heat conduction equation, (2) by using the correlations of energy conservation, and (3) by solving a similar electrodynamic problem. Based on the known experimental data, the accuracy of the dependence up to one percent and a few percent accuracy of its description based on the sound pressure generated by a vapor bubble have been determined. A significant divergence of the power dependence of the vapor bubble radius on time (with an exponent of 1/2) with the experimental results and its inadequacy for the description of the sound pulse generated by the bubble have been demonstrated.

  3. Microgravity Science and Applications Program tasks, 1987 revision

    NASA Technical Reports Server (NTRS)

    1988-01-01

    A compilation is presented of the active research tasks as of the end of the FY87 of the Microgravity Science and Applications Program, NASA-Office of Space Science and Applications, involving several NASA centers and other organizations. An overview is provided of the program scope for managers and scientists in industry, university, and government communities. An introductory description is provided of the program along with the strategy and overall goal, identification of the organizational structures and people involved, and a description of each task. A list of recent publications is also provided. The tasks are grouped into six major categories: Electronic Materials; Solidification of Metals, Alloys, and Composites; Fluid Dynamics and Transport Phenomena; Biotechnology; Glasses and Ceramics; and Combustion. Other categories include Experimental Technology, General Studies and Surveys; Foreign Government Affiliations; Industrial Affiliations; and Physics and Chemistry Experiments (PACE). The tasks are divided into ground based and flight experiments.

  4. Does the self drive mental time travel?

    PubMed

    Shao, Yi; Yao, Xiang; Ceci, Stephen J; Wang, Qi

    2010-11-01

    Research on autobiographical remembering has shown the intertwined relationship between the self and memory. Very little is known about the role of the self in the anticipation of the future. To investigate the association, European American (N=61) and Chinese (N=60) college students each reported two past autobiographical events and anticipated two future events, and described themselves in the past, present, and future. The results from a content analysis found that, regardless of culture, the future self and events were more positive and socially oriented than the past self and events. In general, European Americans provided more positive events and self-descriptions than Chinese. Men showed more personal focus in both experiences and self-descriptions than women at all time epochs. Importantly, independent of culture and gender, the self rather than the past events predicted the valence and personal focus of future events. These findings offer new insights into the dynamic relations between the self and episodic thinking.

  5. Statistical Agent Based Modelization of the Phenomenon of Drug Abuse

    NASA Astrophysics Data System (ADS)

    di Clemente, Riccardo; Pietronero, Luciano

    2012-07-01

    We introduce a statistical agent based model to describe the phenomenon of drug abuse and its dynamical evolution at the individual and global level. The agents are heterogeneous with respect to their intrinsic inclination to drugs, to their budget attitude and social environment. The various levels of drug use were inspired by the professional description of the phenomenon and this permits a direct comparison with all available data. We show that certain elements have a great importance to start the use of drugs, for example the rare events in the personal experiences which permit to overcame the barrier of drug use occasionally. The analysis of how the system reacts to perturbations is very important to understand its key elements and it provides strategies for effective policy making. The present model represents the first step of a realistic description of this phenomenon and can be easily generalized in various directions.

  6. Microgravity Science and Applications Program tasks, 1988 revision

    NASA Technical Reports Server (NTRS)

    1989-01-01

    The active research tasks as of the end of the fiscal year 1988 of the Microgravity Science and Applications Program, NASA-Office of Space Science and Applications, involving several NASA centers and other organizations are compiled. The purpose is to provide an overview of the program scope for managers and scientists in industry, university, and government communities. Also included are an introductory description of the program, the strategy and overall goal, identification of the organizational structures and people involved, and a description of each task. A list of recent publications is provided. The tasks are grouped into six major categories: electronic materials; solidification of metals, alloys, and composites; fluid dynamics and transport phenomena; biotechnology; glasses and ceramics; and combustion. Other categories include experimental technology, general studies and surveys; foreign government affiliations; industrial affiliations; and Physics And Chemistry Experiments (PACE). The tasks are divided into ground-based and flight experiments.

  7. Generalized One-Band Model Based on Zhang-Rice Singlets for Tetragonal CuO.

    PubMed

    Hamad, I J; Manuel, L O; Aligia, A A

    2018-04-27

    Tetragonal CuO (T-CuO) has attracted attention because of its structure similar to that of the cuprates. It has been recently proposed as a compound whose study can give an end to the long debate about the proper microscopic modeling for cuprates. In this work, we rigorously derive an effective one-band generalized t-J model for T-CuO, based on orthogonalized Zhang-Rice singlets, and make an estimative calculation of its parameters, based on previous ab initio calculations. By means of the self-consistent Born approximation, we then evaluate the spectral function and the quasiparticle dispersion for a single hole doped in antiferromagnetically ordered half filled T-CuO. Our predictions show very good agreement with angle-resolved photoemission spectra and with theoretical multiband results. We conclude that a generalized t-J model remains the minimal Hamiltonian for a correct description of single-hole dynamics in cuprates.

  8. Generalized Born Models of Macromolecular Solvation Effects

    NASA Astrophysics Data System (ADS)

    Bashford, Donald; Case, David A.

    2000-10-01

    It would often be useful in computer simulations to use a simple description of solvation effects, instead of explicitly representing the individual solvent molecules. Continuum dielectric models often work well in describing the thermodynamic aspects of aqueous solvation, and approximations to such models that avoid the need to solve the Poisson equation are attractive because of their computational efficiency. Here we give an overview of one such approximation, the generalized Born model, which is simple and fast enough to be used for molecular dynamics simulations of proteins and nucleic acids. We discuss its strengths and weaknesses, both for its fidelity to the underlying continuum model and for its ability to replace explicit consideration of solvent molecules in macromolecular simulations. We focus particularly on versions of the generalized Born model that have a pair-wise analytical form, and therefore fit most naturally into conventional molecular mechanics calculations.

  9. A General Architecture for Intelligent Tutoring of Diagnostic Classification Problem Solving

    PubMed Central

    Crowley, Rebecca S.; Medvedeva, Olga

    2003-01-01

    We report on a general architecture for creating knowledge-based medical training systems to teach diagnostic classification problem solving. The approach is informed by our previous work describing the development of expertise in classification problem solving in Pathology. The architecture envelops the traditional Intelligent Tutoring System design within the Unified Problem-solving Method description Language (UPML) architecture, supporting component modularity and reuse. Based on the domain ontology, domain task ontology and case data, the abstract problem-solving methods of the expert model create a dynamic solution graph. Student interaction with the solution graph is filtered through an instructional layer, which is created by a second set of abstract problem-solving methods and pedagogic ontologies, in response to the current state of the student model. We outline the advantages and limitations of this general approach, and describe it’s implementation in SlideTutor–a developing Intelligent Tutoring System in Dermatopathology. PMID:14728159

  10. Generalized One-Band Model Based on Zhang-Rice Singlets for Tetragonal CuO

    NASA Astrophysics Data System (ADS)

    Hamad, I. J.; Manuel, L. O.; Aligia, A. A.

    2018-04-01

    Tetragonal CuO (T-CuO) has attracted attention because of its structure similar to that of the cuprates. It has been recently proposed as a compound whose study can give an end to the long debate about the proper microscopic modeling for cuprates. In this work, we rigorously derive an effective one-band generalized t -J model for T-CuO, based on orthogonalized Zhang-Rice singlets, and make an estimative calculation of its parameters, based on previous ab initio calculations. By means of the self-consistent Born approximation, we then evaluate the spectral function and the quasiparticle dispersion for a single hole doped in antiferromagnetically ordered half filled T-CuO. Our predictions show very good agreement with angle-resolved photoemission spectra and with theoretical multiband results. We conclude that a generalized t -J model remains the minimal Hamiltonian for a correct description of single-hole dynamics in cuprates.

  11. General circulation of the South Atlantic between 5 deg N and 35 deg S

    NASA Technical Reports Server (NTRS)

    Ollitrault, Michel; Mercier, H.; Blanc, F.; Letraon, L. Y.

    1991-01-01

    The TOPEX/POSEIDON altimeter will provide the temporal mean seal level. So, secondly, we propose to compute the difference between these two surfaces (mean sea level minus general circulation dynamic topography). The result will be an estimate of the marine geoid, which is time invariant for the 5-year period under consideration. If this geoid is precise enough, it will permit a description of seasonal variability of the large-scale surface circulation. If there happens to be enough float data, it may be possible to infer the first vertical modes of this variability. Thus the main goal of our investigation is to determine the 3-D general circulation of the South Atlantic and the large-scale seasonal fluctuations. This last objective, however, may be restricted to the western part of the South Atlantic because float deployments have been scheduled only in the Brasil basin.

  12. Invited Paper - Density functional theory: coverage of dynamic and non-dynamic electron correlation effects

    NASA Astrophysics Data System (ADS)

    Cremer, Dieter

    The electron correlation effects covered by density functional theory (DFT) can be assessed qualitatively by comparing DFT densities ρ(r) with suitable reference densities obtained with wavefunction theory (WFT) methods that cover typical electron correlation effects. The analysis of difference densities ρ(DFT)-ρ(WFT) reveals that LDA and GGA exchange (X) functionals mimic non-dynamic correlation effects in an unspecified way. It is shown that these long range correlation effects are caused by the self-interaction error (SIE) of standard X functionals. Self-interaction corrected (SIC) DFT exchange gives, similar to exact exchange, for the bonding region a delocalized exchange hole, and does not cover any correlation effects. Hence, the exchange SIE is responsible for the fact that DFT densities often resemble MP4 or MP2 densities. The correlation functional changes X-only DFT densities in a manner observed when higher order coupling effects between lower order N-electron correlation effects are included. Hybrid functionals lead to changes in the density similar to those caused by SICDFT, which simply reflects the fact that hybrid functionals have been developed to cover part of the SIE and its long range correlation effects in a balanced manner. In the case of spin-unrestricted DFT (UDFT), non-dynamic electron correlation effects enter the calculation both via the X functional and via the wavefunction, which may cause a double-counting of correlation effects. The use of UDFT in the form of permuted orbital and broken-symmetry DFT (PO-UDFT, BS-UDFT) can lead to reasonable descriptions of multireference systems provided certain conditions are fulfilled. More reliable, however, is a combination of DFT and WFT methods, which makes the routine description of multireference systems possible. The development of such methods implies a separation of dynamic and non-dynamic correlation effects. Strategies for accomplishing this goal are discussed in general and tested in practice for CAS (complete active space)-DFT.

  13. Essential equivalence of the general equation for the nonequilibrium reversible-irreversible coupling (GENERIC) and steepest-entropy-ascent models of dissipation for nonequilibrium thermodynamics.

    PubMed

    Montefusco, Alberto; Consonni, Francesco; Beretta, Gian Paolo

    2015-04-01

    By reformulating the steepest-entropy-ascent (SEA) dynamical model for nonequilibrium thermodynamics in the mathematical language of differential geometry, we compare it with the primitive formulation of the general equation for the nonequilibrium reversible-irreversible coupling (GENERIC) model and discuss the main technical differences of the two approaches. In both dynamical models the description of dissipation is of the "entropy-gradient" type. SEA focuses only on the dissipative, i.e., entropy generating, component of the time evolution, chooses a sub-Riemannian metric tensor as dissipative structure, and uses the local entropy density field as potential. GENERIC emphasizes the coupling between the dissipative and nondissipative components of the time evolution, chooses two compatible degenerate structures (Poisson and degenerate co-Riemannian), and uses the global energy and entropy functionals as potentials. As an illustration, we rewrite the known GENERIC formulation of the Boltzmann equation in terms of the square root of the distribution function adopted by the SEA formulation. We then provide a formal proof that in more general frameworks, whenever all degeneracies in the GENERIC framework are related to conservation laws, the SEA and GENERIC models of the dissipative component of the dynamics are essentially interchangeable, provided of course they assume the same kinematics. As part of the discussion, we note that equipping the dissipative structure of GENERIC with the Leibniz identity makes it automatically SEA on metric leaves.

  14. Predator interference and stability of predator-prey dynamics.

    PubMed

    Přibylová, Lenka; Berec, Luděk

    2015-08-01

    Predator interference, that is, a decline in the per predator consumption rate as predator density increases, is generally thought to promote predator-prey stability. Indeed, this has been demonstrated in many theoretical studies on predator-prey dynamics. In virtually all of these studies, the stabilization role is demonstrated as a weakening of the paradox of enrichment. With predator interference, stable limit cycles that appear as a result of environmental enrichment occur for higher values of the environmental carrying capacity of prey, and even a complete absence of the limit cycles can happen. Here we study predator-prey dynamics using the Rosenzweig-MacArthur-like model in which the Holling type II functional response has been replaced by a predator-dependent family which generalizes many of the commonly used descriptions of predator interference. By means of a bifurcation analysis we show that sufficiently strong predator interference may bring about another stabilizing mechanism. In particular, hysteresis combined with (dis)appearance of stable limit cycles imply abrupt increases in both the prey and predator densities and enhanced persistence and resilience of the predator-prey system. We encourage refitting the previously collected data on predator consumption rates as well as for conducting further predation experiments to see what functional response from the explored family is the most appropriate.

  15. Investigating pianists' individuality in the performance of five timbral nuances through patterns of articulation, touch, dynamics, and pedaling

    PubMed Central

    Bernays, Michel; Traube, Caroline

    2014-01-01

    Timbre is an essential expressive feature in piano performance. Concert pianists use a vast palette of timbral nuances to color their performances at the microstructural level. Although timbre is generally envisioned in the pianistic community as an abstract concept carried through an imaged vocabulary, performers may share some common strategies of timbral expression in piano performance. Yet there may remain further leeway for idiosyncratic processes in the production of piano timbre nuances. In this study, we examined the patterns of timbral expression in performances by four expert pianists. Each pianist performed four short pieces, each with five different timbral intentions (bright, dark, dry, round, and velvety). The performances were recorded with the high-accuracy Bösendorfer CEUS system. Fine-grained performance features of dynamics, touch, articulation and pedaling were extracted. Reduced PCA performance spaces and descriptive performance portraits confirmed that pianists exhibited unique, specific profiles for different timbral intentions, derived from underlying traits of general individuality, while sharing some broad commonalities of dynamics and articulation for each timbral intention. These results confirm that pianists' abstract notions of timbre correspond to reliable patterns of performance technique. Furthermore, these effects suggest that pianists can express individual styles while complying with specific timbral intentions. PMID:24624099

  16. Outline of a general theory of behavior and brain coordination.

    PubMed

    Kelso, J A Scott; Dumas, Guillaume; Tognoli, Emmanuelle

    2013-01-01

    Much evidence suggests that dynamic laws of neurobehavioral coordination are sui generis: they deal with collective properties that are repeatable from one system to another and emerge from microscopic dynamics but may not (even in principle) be deducible from them. Nevertheless, it is useful to try to understand the relationship between different levels while all the time respecting the autonomy of each. We report a program of research that uses the theoretical concepts of coordination dynamics and quantitative measurements of simple, well-defined experimental model systems to explicitly relate neural and behavioral levels of description in human beings. Our approach is both top-down and bottom-up and aims at ending up in the same place: top-down to derive behavioral patterns from neural fields, and bottom-up to generate neural field patterns from bidirectional coupling between astrocytes and neurons. Much progress can be made by recognizing that the two approaches--reductionism and emergentism--are complementary. A key to understanding is to couch the coordination of very different things--from molecules to thoughts--in the common language of coordination dynamics. Copyright © 2012 Elsevier Ltd. All rights reserved.

  17. Outline of a General Theory of Behavior and Brain Coordination

    PubMed Central

    Kelso, J. A. Scott; Dumas, Guillaume; Tognoli, Emmanuelle

    2012-01-01

    Much evidence suggests that dynamic laws of neurobehavioral coordination are sui generis: they deal with collective properties that are repeatable from one system to another and emerge from microscopic dynamics but may not (even in principle) be deducible from them. Nevertheless, it is useful to try to understand the relationship between different levels while all the time respecting the autonomy of each. We report a program of research that uses the theoretical concepts of coordination dynamics and quantitative measurements of simple, well-defined experimental model systems to explicitly relate neural and behavioral levels of description in human beings. Our approach is both top-down and bottom-up and aims at ending up in the same place: top-down to derive behavioral patterns from neural fields, and bottom-up to generate neural field patterns from bidirectional coupling between astrocytes and neurons. Much progress can be made by recognizing that the two approaches —reductionism and emergentism— are complementary. A key to understanding is to couch the coordination of very different things —from molecules to thoughts— in the common language of coordination dynamics. PMID:23084845

  18. Nonlinear problems in flight dynamics

    NASA Technical Reports Server (NTRS)

    Chapman, G. T.; Tobak, M.

    1984-01-01

    A comprehensive framework is proposed for the description and analysis of nonlinear problems in flight dynamics. Emphasis is placed on the aerodynamic component as the major source of nonlinearities in the flight dynamic system. Four aerodynamic flows are examined to illustrate the richness and regularity of the flow structures and the nature of the flow structures and the nature of the resulting nonlinear aerodynamic forces and moments. A framework to facilitate the study of the aerodynamic system is proposed having parallel observational and mathematical components. The observational component, structure is described in the language of topology. Changes in flow structure are described via bifurcation theory. Chaos or turbulence is related to the analogous chaotic behavior of nonlinear dynamical systems characterized by the existence of strange attractors having fractal dimensionality. Scales of the flow are considered in the light of ideas from group theory. Several one and two degree of freedom dynamical systems with various mathematical models of the nonlinear aerodynamic forces and moments are examined to illustrate the resulting types of dynamical behavior. The mathematical ideas that proved useful in the description of fluid flows are shown to be similarly useful in the description of flight dynamic behavior.

  19. Quantum Dynamics in the HMF Model

    NASA Astrophysics Data System (ADS)

    Plestid, Ryan; O'Dell, Duncan

    2017-04-01

    The Hamiltonian Mean Field (HMF) model represents a paradigm in the study of long-range interactions but has never been realized in a lab. Recently Shutz and Morigi (PRL 113) have come close but ultimately fallen short. Their proposal relied on cavity-induced interactions between atoms. If a design using cold atoms is to be successful, an understanding of quantum effects is essential. I will outline the natural quantum generalization of the HMF assuming a BEC by using a generalized Gross-Pitaevskii equation (gGPE). I will show how quantum effects modify features which are well understood in the classical model. More specifically, by working in the semi-classical regime (strong interparticle interactions) we can identify the universal features predicted by catastrophe theory dressed with quantum interference effects. The stationary states of gGPE can be solved exactly and are found to be described by self-consistent Mathieu functions. Finally, I will discuss the connection between the classical description of the dynamics in terms of the Vlassov equation, and the gGPE. We would like to thank the Government of Ontario's OGS program, NSERC, and the Perimeter Institute of Theoretical Physics.

  20. A gauge-theoretic approach to gravity.

    PubMed

    Krasnov, Kirill

    2012-08-08

    Einstein's general relativity (GR) is a dynamical theory of the space-time metric. We describe an approach in which GR becomes an SU(2) gauge theory. We start at the linearized level and show how a gauge-theoretic Lagrangian for non-interacting massless spin two particles (gravitons) takes a much more simple and compact form than in the standard metric description. Moreover, in contrast to the GR situation, the gauge theory Lagrangian is convex. We then proceed with a formulation of the full nonlinear theory. The equivalence to the metric-based GR holds only at the level of solutions of the field equations, that is, on-shell. The gauge-theoretic approach also makes it clear that GR is not the only interacting theory of massless spin two particles, in spite of the GR uniqueness theorems available in the metric description. Thus, there is an infinite-parameter class of gravity theories all describing just two propagating polarizations of the graviton. We describe how matter can be coupled to gravity in this formulation and, in particular, how both the gravity and Yang-Mills arise as sectors of a general diffeomorphism-invariant gauge theory. We finish by outlining a possible scenario of the ultraviolet completion of quantum gravity within this approach.

  1. Dissipation and entropy production in open quantum systems

    NASA Astrophysics Data System (ADS)

    Majima, H.; Suzuki, A.

    2010-11-01

    A microscopic description of an open system is generally expressed by the Hamiltonian of the form: Htot = Hsys + Henviron + Hsys-environ. We developed a microscopic theory of entropy and derived a general formula, so-called "entropy-Hamiltonian relation" (EHR), that connects the entropy of the system to the interaction Hamiltonian represented by Hsys-environ for a nonequilibrium open quantum system. To derive the EHR formula, we mapped the open quantum system to the representation space of the Liouville-space formulation or thermo field dynamics (TFD), and thus worked on the representation space Script L := Script H otimes , where Script H denotes the ordinary Hilbert space while the tilde Hilbert space conjugates to Script H. We show that the natural transformation (mapping) of nonequilibrium open quantum systems is accomplished within the theoretical structure of TFD. By using the obtained EHR formula, we also derived the equation of motion for the distribution function of the system. We demonstrated that by knowing the microscopic description of the interaction, namely, the specific form of Hsys-environ on the representation space Script L, the EHR formulas enable us to evaluate the entropy of the system and to gain some information about entropy for nonequilibrium open quantum systems.

  2. Dynamical Principles of Emotion-Cognition Interaction: Mathematical Images of Mental Disorders

    PubMed Central

    Rabinovich, Mikhail I.; Muezzinoglu, Mehmet K.; Strigo, Irina; Bystritsky, Alexander

    2010-01-01

    The key contribution of this work is to introduce a mathematical framework to understand self-organized dynamics in the brain that can explain certain aspects of itinerant behavior. Specifically, we introduce a model based upon the coupling of generalized Lotka-Volterra systems. This coupling is based upon competition for common resources. The system can be regarded as a normal or canonical form for any distributed system that shows self-organized dynamics that entail winnerless competition. Crucially, we will show that some of the fundamental instabilities that arise in these coupled systems are remarkably similar to endogenous activity seen in the brain (using EEG and fMRI). Furthermore, by changing a small subset of the system's parameters we can produce bifurcations and metastable sequential dynamics changing, which bear a remarkable similarity to pathological brain states seen in psychiatry. In what follows, we will consider the coupling of two macroscopic modes of brain activity, which, in a purely descriptive fashion, we will label as cognitive and emotional modes. Our aim is to examine the dynamical structures that emerge when coupling these two modes and relate them tentatively to brain activity in normal and non-normal states. PMID:20877723

  3. Dynamic optimization case studies in DYNOPT tool

    NASA Astrophysics Data System (ADS)

    Ozana, Stepan; Pies, Martin; Docekal, Tomas

    2016-06-01

    Dynamic programming is typically applied to optimization problems. As the analytical solutions are generally very difficult, chosen software tools are used widely. These software packages are often third-party products bound for standard simulation software tools on the market. As typical examples of such tools, TOMLAB and DYNOPT could be effectively applied for solution of problems of dynamic programming. DYNOPT will be presented in this paper due to its licensing policy (free product under GPL) and simplicity of use. DYNOPT is a set of MATLAB functions for determination of optimal control trajectory by given description of the process, the cost to be minimized, subject to equality and inequality constraints, using orthogonal collocation on finite elements method. The actual optimal control problem is solved by complete parameterization both the control and the state profile vector. It is assumed, that the optimized dynamic model may be described by a set of ordinary differential equations (ODEs) or differential-algebraic equations (DAEs). This collection of functions extends the capability of the MATLAB Optimization Tool-box. The paper will introduce use of DYNOPT in the field of dynamic optimization problems by means of case studies regarding chosen laboratory physical educational models.

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

    Dang, Liem X.; Schenter, Gregory K.

    To enhance our understanding of the solvent exchange mechanism in liquid methanol, we report a systematic study of this process using molecular dynamics simulations. We use transition state theory, the Impey-Madden-McDonald method, the reactive flux method, and Grote-Hynes theory to compute the rate constants for this process. Solvent coupling was found to dominate, resulting in a significantly small transmission coefficient. We predict a positive activation volume for the methanol exchange process. The essential features of the dynamics of the system as well as the pressure dependence are recovered from a Generalized Langevin Equation description of the dynamics. We find thatmore » the dynamics and response to anharmonicity can be decomposed into two time regimes, one corresponding to short time response (< 0.1 ps) and long time response (> 5 ps). An effective characterization of the process results from launching dynamics from the planar hypersurface corresponding to Grote-Hynes theory. This results in improved numerical convergence of correlation functions. This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The calculations were carried out using computer resources provided by the Office of Basic Energy Sciences.« less

  5. Dynamical principles of emotion-cognition interaction: mathematical images of mental disorders.

    PubMed

    Rabinovich, Mikhail I; Muezzinoglu, Mehmet K; Strigo, Irina; Bystritsky, Alexander

    2010-09-21

    The key contribution of this work is to introduce a mathematical framework to understand self-organized dynamics in the brain that can explain certain aspects of itinerant behavior. Specifically, we introduce a model based upon the coupling of generalized Lotka-Volterra systems. This coupling is based upon competition for common resources. The system can be regarded as a normal or canonical form for any distributed system that shows self-organized dynamics that entail winnerless competition. Crucially, we will show that some of the fundamental instabilities that arise in these coupled systems are remarkably similar to endogenous activity seen in the brain (using EEG and fMRI). Furthermore, by changing a small subset of the system's parameters we can produce bifurcations and metastable sequential dynamics changing, which bear a remarkable similarity to pathological brain states seen in psychiatry. In what follows, we will consider the coupling of two macroscopic modes of brain activity, which, in a purely descriptive fashion, we will label as cognitive and emotional modes. Our aim is to examine the dynamical structures that emerge when coupling these two modes and relate them tentatively to brain activity in normal and non-normal states.

  6. Principal Component Analysis of Lipid Molecule Conformational Changes in Molecular Dynamics Simulations.

    PubMed

    Buslaev, Pavel; Gordeliy, Valentin; Grudinin, Sergei; Gushchin, Ivan

    2016-03-08

    Molecular dynamics simulations of lipid bilayers are ubiquitous nowadays. Usually, either global properties of the bilayer or some particular characteristics of each lipid molecule are evaluated in such simulations, but the structural properties of the molecules as a whole are rarely studied. Here, we show how a comprehensive quantitative description of conformational space and dynamics of a single lipid molecule can be achieved via the principal component analysis (PCA). We illustrate the approach by analyzing and comparing simulations of DOPC bilayers obtained using eight different force fields: all-atom generalized AMBER, CHARMM27, CHARMM36, Lipid14, and Slipids and united-atom Berger, GROMOS43A1-S3, and GROMOS54A7. Similarly to proteins, most of the structural variance of a lipid molecule can be described by only a few principal components. These major components are similar in different simulations, although there are notable distinctions between the older and newer force fields and between the all-atom and united-atom force fields. The DOPC molecules in the simulations generally equilibrate on the time scales of tens to hundreds of nanoseconds. The equilibration is the slowest in the GAFF simulation and the fastest in the Slipids simulation. Somewhat unexpectedly, the equilibration in the united-atom force fields is generally slower than in the all-atom force fields. Overall, there is a clear separation between the more variable previous generation force fields and significantly more similar new generation force fields (CHARMM36, Lipid14, Slipids). We expect that the presented approaches will be useful for quantitative analysis of conformations and dynamics of individual lipid molecules in other simulations of lipid bilayers.

  7. Mathematical modeling of control subsystems for CELSS: Application to diet

    NASA Technical Reports Server (NTRS)

    Waleh, Ahmad; Nguyen, Thoi K.; Kanevsky, Valery

    1991-01-01

    The dynamic control of a Closed Ecological Life Support System (CELSS) in a closed space habitat is of critical importance. The development of a practical method of control is also a necessary step for the selection and design of realistic subsystems and processors for a CELSS. Diet is one of the dynamic factors that strongly influences, and is influenced, by the operational states of all major CELSS subsystems. The problems of design and maintenance of a stable diet must be obtained from well characterized expert subsystems. The general description of a mathematical model that forms the basis of an expert control program for a CELSS is described. The formulation is expressed in terms of a complete set of time dependent canonical variables. System representation is dynamic and includes time dependent storage buffers. The details of the algorithm are described. The steady state results of the application of the method for representative diets made from wheat, potato, and soybean are presented.

  8. 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.

  9. Correlative live and super-resolution imaging reveals the dynamic structure of replication domains.

    PubMed

    Xiang, Wanqing; Roberti, M Julia; Hériché, Jean-Karim; Huet, Sébastien; Alexander, Stephanie; Ellenberg, Jan

    2018-06-04

    Chromosome organization in higher eukaryotes controls gene expression, DNA replication, and DNA repair. Genome mapping has revealed the functional units of chromatin at the submegabase scale as self-interacting regions called topologically associating domains (TADs) and showed they correspond to replication domains (RDs). A quantitative structural and dynamic description of RD behavior in the nucleus is, however, missing because visualization of dynamic subdiffraction-sized RDs remains challenging. Using fluorescence labeling of RDs combined with correlative live and super-resolution microscopy in situ, we determined biophysical parameters to characterize the internal organization, spacing, and mechanical coupling of RDs. We found that RDs are typically 150 nm in size and contain four co-replicating regions spaced 60 nm apart. Spatially neighboring RDs are spaced 300 nm apart and connected by highly flexible linker regions that couple their motion only <550 nm. Our pipeline allows a robust quantitative characterization of chromosome structure in situ and provides important biophysical parameters to understand general principles of chromatin organization. © 2018 Xiang et al.

  10. Hyperbolic scaling and computing in social crowds: Comment on "Human behaviours in evacuation crowd dynamics: From modelling to "big data" toward crisis management" by Nicola Bellomo et al.

    NASA Astrophysics Data System (ADS)

    Outada, Nisrine

    2016-09-01

    I have read with great interest the paper [5] where the authors present an overview and critical analysis of the literature on the modeling of the crowd dynamics with special attention to evacuation dynamics. The approach developed is based on suitable development of methods of the kinetic theory. Interactions, which lead to the decision choice, are modeled by theoretical tools of stochastic evolutionary game theory [11,12]. However, the paper [5] provides not only a survey focused on topics of great interest for our society, but also it looks ahead to a variety of interesting and challenging mathematical problems. Specifically, I am interested in the derivation of macroscopic (hydrodynamic) models from the underlying description given from the kinetic theory approach, more specifically by the kinetic theory for active particles [8]. A general reference on crowd modeling is the recently published book [10].

  11. Formulation of D-brane Dynamics

    NASA Astrophysics Data System (ADS)

    Evans, Thomas

    2012-03-01

    It is the purpose of this paper (within the context of STS rules & guidelines ``research report'') to formulate a statistical-mechanical form of D-brane dynamics. We consider first the path integral formulation of quantum mechanics, and extend this to a path-integral formulation of D-brane mechanics, summing over all the possible path integral sectors of R-R, NS charged states. We then investigate this generalization utilizing a path-integral formulation summing over all the possible path integral sectors of R-R charged states, calculated from the mean probability tree-level amplitude of type I, IIA, and IIB strings, serving as a generalization of all strings described by D-branes. We utilize this generalization to study black holes in regimes where the initial D-brane system is legitimate, and further this generalization to look at information loss near regions of nonlocality on a non-ordinary event horizon. We see here that in these specific regimes, we can calculate a path integral formulation, as describing D0-brane mechanics, tracing the dissipation of entropy throughout the event horizon. This is used to study the information paradox, and to propose a resolution between the phenomena and the correct and expected quantum mechanical description. This is done as our path integral throughout entropy entering the event horizon effectively and correctly encodes the initial state in subtle correlations in the Hawking radiation.

  12. Evolutionary dynamics on graphs: Efficient method for weak selection

    NASA Astrophysics Data System (ADS)

    Fu, Feng; Wang, Long; Nowak, Martin A.; Hauert, Christoph

    2009-04-01

    Investigating the evolutionary dynamics of game theoretical interactions in populations where individuals are arranged on a graph can be challenging in terms of computation time. Here, we propose an efficient method to study any type of game on arbitrary graph structures for weak selection. In this limit, evolutionary game dynamics represents a first-order correction to neutral evolution. Spatial correlations can be empirically determined under neutral evolution and provide the basis for formulating the game dynamics as a discrete Markov process by incorporating a detailed description of the microscopic dynamics based on the neutral correlations. This framework is then applied to one of the most intriguing questions in evolutionary biology: the evolution of cooperation. We demonstrate that the degree heterogeneity of a graph impedes cooperation and that the success of tit for tat depends not only on the number of rounds but also on the degree of the graph. Moreover, considering the mutation-selection equilibrium shows that the symmetry of the stationary distribution of states under weak selection is skewed in favor of defectors for larger selection strengths. In particular, degree heterogeneity—a prominent feature of scale-free networks—generally results in a more pronounced increase in the critical benefit-to-cost ratio required for evolution to favor cooperation as compared to regular graphs. This conclusion is corroborated by an analysis of the effects of population structures on the fixation probabilities of strategies in general 2×2 games for different types of graphs. Computer simulations confirm the predictive power of our method and illustrate the improved accuracy as compared to previous studies.

  13. Fluid dynamical description of relativistic nuclear collisions

    NASA Technical Reports Server (NTRS)

    Nix, J. R.; Strottman, D.

    1982-01-01

    On the basis of both a conventional relativistic nuclear fluid dynamic model and a two fluid generalization that takes into account the interpenetration of the target and projectile upon contact, collisions between heavy nuclei moving at relativistic speeds are calculated. This is done by solving the relevant equations of motion numerically in three spatial dimensions by use of particle in cell finite difference computing techniques. The effect of incorporating a density isomer, or quasistable state, in the nuclear equation of state at three times normal nuclear density, and the effect of doubling the nuclear compressibility coefficient are studied. For the reaction 20Ne + 238U at a laboratory bombarding energy per nucleon of 393 MeV, the calculated distributions in energy and angle of outgoing charged particles are compared with recent experimental data both integrated over all impact parameters and for nearly central collisions.

  14. Impact of centrifugal drifts on ion turbulent transport

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

    Belli, Emily A.; Candy, J.

    Here, the influence of sonic toroidal rotation on gyrokinetic stability and transport is studied, with important implications for heavy impurity dynamics. When centrifugal drifts and electrostatic trapping corrections are included, significant modifications to the calculated transport of heavy impurities are observed. These high-rotation corrections add to the standard Coriolis drift and toroidal rotation shear drive which are normally included in gyrokinetics. Yet, because of their complexity, centrifugal and electrostatic trapping terms (quadratic in the main ion Mach number) are not generally included in gyrokinetic codes. In this work, we explore the implications of using reduced descriptions of the rotational physics.more » For heavy impurities such as tungsten, cross terms due to the centrifugal force can dominate the rotation dynamics, and neglecting them is shown to lead to large errors in the impurity particle flux.« less

  15. Impact of centrifugal drifts on ion turbulent transport

    DOE PAGES

    Belli, Emily A.; Candy, J.

    2018-03-01

    Here, the influence of sonic toroidal rotation on gyrokinetic stability and transport is studied, with important implications for heavy impurity dynamics. When centrifugal drifts and electrostatic trapping corrections are included, significant modifications to the calculated transport of heavy impurities are observed. These high-rotation corrections add to the standard Coriolis drift and toroidal rotation shear drive which are normally included in gyrokinetics. Yet, because of their complexity, centrifugal and electrostatic trapping terms (quadratic in the main ion Mach number) are not generally included in gyrokinetic codes. In this work, we explore the implications of using reduced descriptions of the rotational physics.more » For heavy impurities such as tungsten, cross terms due to the centrifugal force can dominate the rotation dynamics, and neglecting them is shown to lead to large errors in the impurity particle flux.« less

  16. On the Origin of Time and the Universe

    NASA Astrophysics Data System (ADS)

    Jejjala, Vishnu; Kavic, Michael; Minic, Djordje; Tze, Chia-Hsiung

    We present a novel solution to the low entropy and arrow of time puzzles of the initial state of the universe. Our approach derives from the physics of a specific generalization of Matrix theory put forth in earlier work as the basis for a quantum theory of gravity. The particular dynamical state space of this theory, the infinite-dimensional analogue of the Fubini-Study metric over a complex nonlinear Grassmannian, has recently been studied by Michor and Mumford. The geodesic distance between any two points on this space is zero. Here we show that this mathematical result translates to a description of a hot, zero entropy state and an arrow of time after the Big Bang. This is modeled as a far from equilibrium, large fluctuation driven, "freezing by heating" metastable ordered phase transition of a nonlinear dissipative dynamical system.

  17. Inference for finite-sample trajectories in dynamic multi-state site-occupancy models using hidden Markov model smoothing

    USGS Publications Warehouse

    Fiske, Ian J.; Royle, J. Andrew; Gross, Kevin

    2014-01-01

    Ecologists and wildlife biologists increasingly use latent variable models to study patterns of species occurrence when detection is imperfect. These models have recently been generalized to accommodate both a more expansive description of state than simple presence or absence, and Markovian dynamics in the latent state over successive sampling seasons. In this paper, we write these multi-season, multi-state models as hidden Markov models to find both maximum likelihood estimates of model parameters and finite-sample estimators of the trajectory of the latent state over time. These estimators are especially useful for characterizing population trends in species of conservation concern. We also develop parametric bootstrap procedures that allow formal inference about latent trend. We examine model behavior through simulation, and we apply the model to data from the North American Amphibian Monitoring Program.

  18. 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.

  19. Sierra Structural Dynamics Theory Manual

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

    Reese, Garth M.

    Sierra/SD provides a massively parallel implementation of structural dynamics finite element analysis, required for high fidelity, validated models used in modal, vibration, static and shock analysis of structural systems. This manual describes the theory behind many of the constructs in Sierra/SD. For a more detailed description of how to use Sierra/SD , we refer the reader to Sierra/SD, User's Notes . Many of the constructs in Sierra/SD are pulled directly from published material. Where possible, these materials are referenced herein. However, certain functions in Sierra/SD are specific to our implementation. We try to be far more complete in those areas.more » The theory manual was developed from several sources including general notes, a programmer notes manual, the user's notes and of course the material in the open literature. This page intentionally left blank.« less

  20. Ginzburg-Landau theory for skyrmions in inversion-symmetric magnets with competing interactions

    DOE PAGES

    Lin, Shi-Zeng; Hayami, Satoru

    2016-02-01

    Magnetic skyrmions have attracted considerable attention recently for their huge potential in spintronic applications. Generally skyrmions are big compared to the atomic lattice constant, which allows for the Ginzburg-Landau type description in the continuum limit. This description successfully captures the main experimental observations on skyrmions in B20 compound without inversion symmetry. Skyrmions can also exist in inversion-symmetric magnets with competing interactions. Here, we derive a general Ginzburg-Landau theory for skyrmions in these magnets valid in the long-wavelength limit. We study the unusual static and dynamical properties of skyrmions based on the derived Ginzburg-Landau theory. We show that an easy axismore » spin anisotropy is sufficient to stabilize a skyrmion lattice. Interestingly, the skyrmion in inversion-symmetric magnets has a new internal degree of freedom associated with the rotation of helicity, i.e., the “spin” of the skyrmion as a particle, in addition to the usual translational motion of skyrmions (orbital motion). The orbital and spin degree of freedoms of an individual skyrmion can couple to each other, and give rise to unusual behavior that is absent for the skyrmions stabilized by the Dzyaloshinskii-Moriya interaction. Finally, the derived Ginzburg-Landau theory provides a convenient and general framework to discuss skyrmion physics and will facilitate the search for skyrmions in inversion-symmetric magnets.« less

  1. From Single-Cell Dynamics to Scaling Laws in Oncology

    NASA Astrophysics Data System (ADS)

    Chignola, Roberto; Sega, Michela; Stella, Sabrina; Vyshemirsky, Vladislav; Milotti, Edoardo

    We are developing a biophysical model of tumor biology. We follow a strictly quantitative approach where each step of model development is validated by comparing simulation outputs with experimental data. While this strategy may slow down our advancements, at the same time it provides an invaluable reward: we can trust simulation outputs and use the model to explore territories of cancer biology where current experimental techniques fail. Here, we review our multi-scale biophysical modeling approach and show how a description of cancer at the cellular level has led us to general laws obeyed by both in vitro and in vivo tumors.

  2. Adiabatic description of long range frequency sweeping

    NASA Astrophysics Data System (ADS)

    Breizman, Boris; Nyqvist, Robert; Lilley, Matthew

    2012-10-01

    A theoretical framework is developed to describe long range frequency sweeping events in the 1D electrostatic bump-on-tail model with fast particle sources and collisions. The model includes three collision operators (Krook, drag (dynamical friction) and velocity space diffusion), and allows for a general shape of the fast particle distribution function. The behavior of phase space holes and clumps is analyzed, and the effect of particle trapping due to separatrix expansion is discussed. With a fast particle distribution function whose slope decays above the resonant phase velocity, hooked frequency sweeping is found for holes in the presence of drag collisions alone.

  3. Nonthermal steady states after an interaction quench in the Falicov-Kimball model.

    PubMed

    Eckstein, Martin; Kollar, Marcus

    2008-03-28

    We present the exact solution of the Falicov-Kimball model after a sudden change of its interaction parameter using nonequilibrium dynamical mean-field theory. For different interaction quenches between the homogeneous metallic and insulating phases the system relaxes to a nonthermal steady state on time scales on the order of variant Planck's over 2pi/bandwidth, showing collapse and revival with an approximate period of h/interaction if the interaction is large. We discuss the reasons for this behavior and provide a statistical description of the final steady state by means of generalized Gibbs ensembles.

  4. A standard format and a graphical user interface for spin system specification.

    PubMed

    Biternas, A G; Charnock, G T P; Kuprov, Ilya

    2014-03-01

    We introduce a simple and general XML format for spin system description that is the result of extensive consultations within Magnetic Resonance community and unifies under one roof all major existing spin interaction specification conventions. The format is human-readable, easy to edit and easy to parse using standard XML libraries. We also describe a graphical user interface that was designed to facilitate construction and visualization of complicated spin systems. The interface is capable of generating input files for several popular spin dynamics simulation packages. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

  5. Fast and accurate modeling of nonlinear pulse propagation in graded-index multimode fibers.

    PubMed

    Conforti, Matteo; Mas Arabi, Carlos; Mussot, Arnaud; Kudlinski, Alexandre

    2017-10-01

    We develop a model for the description of nonlinear pulse propagation in multimode optical fibers with a parabolic refractive index profile. It consists of a 1+1D generalized nonlinear Schrödinger equation with a periodic nonlinear coefficient, which can be solved in an extremely fast and efficient way. The model is able to quantitatively reproduce recently observed phenomena like geometric parametric instability and broadband dispersive wave emission. We envisage that our equation will represent a valuable tool for the study of spatiotemporal nonlinear dynamics in the growing field of multimode fiber optics.

  6. The attractor dimension of solar decimetric radio pulsations

    NASA Technical Reports Server (NTRS)

    Kurths, J.; Benz, A. O.; Aschwanden, M. J.

    1991-01-01

    The temporal characteristics of decimetric pulsations and related radio emissions during solar flares are analyzed using statistical methods recently developed for nonlinear dynamic systems. The results of the analysis is consistent with earlier reports on low-dimensional attractors of such events and yield a quantitative description of their temporal characteristics and hidden order. The estimated dimensions of typical decimetric pulsations are generally in the range of 3.0 + or - 0.5. Quasi-periodic oscillations and sudden reductions may have dimensions as low as 2. Pulsations of decimetric type IV continua have typically a dimension of about 4.

  7. A general science-based framework for dynamical spatio-temporal models

    USGS Publications Warehouse

    Wikle, C.K.; Hooten, M.B.

    2010-01-01

    Spatio-temporal statistical models are increasingly being used across a wide variety of scientific disciplines to describe and predict spatially-explicit processes that evolve over time. Correspondingly, in recent years there has been a significant amount of research on new statistical methodology for such models. Although descriptive models that approach the problem from the second-order (covariance) perspective are important, and innovative work is being done in this regard, many real-world processes are dynamic, and it can be more efficient in some cases to characterize the associated spatio-temporal dependence by the use of dynamical models. The chief challenge with the specification of such dynamical models has been related to the curse of dimensionality. Even in fairly simple linear, first-order Markovian, Gaussian error settings, statistical models are often over parameterized. Hierarchical models have proven invaluable in their ability to deal to some extent with this issue by allowing dependency among groups of parameters. In addition, this framework has allowed for the specification of science based parameterizations (and associated prior distributions) in which classes of deterministic dynamical models (e. g., partial differential equations (PDEs), integro-difference equations (IDEs), matrix models, and agent-based models) are used to guide specific parameterizations. Most of the focus for the application of such models in statistics has been in the linear case. The problems mentioned above with linear dynamic models are compounded in the case of nonlinear models. In this sense, the need for coherent and sensible model parameterizations is not only helpful, it is essential. Here, we present an overview of a framework for incorporating scientific information to motivate dynamical spatio-temporal models. First, we illustrate the methodology with the linear case. We then develop a general nonlinear spatio-temporal framework that we call general quadratic nonlinearity and demonstrate that it accommodates many different classes of scientific-based parameterizations as special cases. The model is presented in a hierarchical Bayesian framework and is illustrated with examples from ecology and oceanography. ?? 2010 Sociedad de Estad??stica e Investigaci??n Operativa.

  8. Straining and wrinkling processes during turbulence-premixed flame interaction measured using temporally-resolved diagnostics

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

    Steinberg, Adam M.; Driscoll, James F.

    2009-12-15

    The dynamical processes of flame surface straining and wrinkling that occur as turbulence interacts with a premixed flame were measured using cinema-stereoscopic PIV (CS-PIV) and orthogonal-plane cinema-stereoscopic PIV (OPCS-PIV). These diagnostics provided temporally resolved measurements of turbulence-flame interaction at frame rates of up to 3 kHz and spatial resolutions as small as 280{mu} m. Previous descriptions of flame straining and wrinkling have typically been derived based on a canonical interaction between a pair of counter-rotating vortices and a planar flame surface. However, it was found that this configuration did not properly represent real turbulence-flame interaction. Interactions resembling the canonical configurationmore » were observed in less than 10% of the recorded frames. Instead, straining and wrinkling were generally caused more geometrically complex turbulence, consisting of large groups of structures that could be multiply curved and intertwined. The effect of the interaction was highly dependent on the interaction geometry. Furthermore, even when the turbulence did exist in the canonical geometry, the straining and wrinkling of the flame surface were not well characterized by the vortical structures. A new mechanistic description of the turbulence-flame interaction was therefore identified and confirmed by the measurements. In this description, flame surface straining is caused by coherent structures of fluid-dynamic strain-rate (strain-rate structures). The role of vortical structures is to curve existing flame surface, creating wrinkles. By simultaneously considering both forms of turbulent structure, turbulence-flame interactions in both the canonical configuration and more complex geometries could be understood. (author)« less

  9. The Dynamics of Small-Scale Turbulence Driven Flows

    NASA Astrophysics Data System (ADS)

    Beer, M. A.; Hammett, G. W.

    1997-11-01

    The dynamics of small-scale fluctuation driven flows are of great interest for micro-instability driven turbulence, since nonlinear toroidal simulations have shown that these flows play an important role in the regulation of the turbulence and transport levels. The gyrofluid treatment of these flows was shown to be accurate for times shorter than a bounce time.(Beer, M. A., Ph. D. thesis, Princeton University (1995).) Since the decorrelation times of the turbulence are generally shorter than a bounce time, our original hypothesis was that this description was adequate. Recent work(Hinton, F. L., Rosenbluth, M. N., and Waltz, R. E., International Sherwood Fusion Theory Conference (1997).) pointed out possible problems with this hypothesis, emphasizing the existence of a linearly undamped component of the flow which could build up in time and lower the final turbulence level. While our original gyrofluid model reproduces some aspects of the linear flow, there are differences between the long time gyrofluid and kinetic linear results in some cases. On the other hand, if the long time behavior of these flows is dominated by nonlinear damping (which seems reasonable), then the existing nonlinear gyrofluid simulations may be sufficiently accurate. We test these possibilities by modifying the gyrofluid description of these flows and diagnosing the flow evolution in nonlinear simulations.

  10. Development and validation of a new soot formation model for gas turbine combustor simulations

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

    Di Domenico, Massimiliano; Gerlinger, Peter; Aigner, Manfred

    2010-02-15

    In this paper a new soot formation model for gas turbine combustor simulations is presented. A sectional approach for the description of Polycyclic Aromatic Hydrocarbons (PAHs) and a two-equation model for soot particle dynamics are introduced. By including the PAH chemistry the formulation becomes more general in that the soot formation is neither directly linked to the fuel nor to C{sub 2}-like species, as it is the case in simpler soot models currently available for CFD applications. At the same time, the sectional approach for the PAHs keeps the required computational resources low if compared to models based on amore » detailed description of the PAH kinetics. These features of the new model allow an accurate yet affordable calculation of soot in complex gas turbine combustion chambers. A careful model validation will be presented for diffusion and partially premixed flames. Fuels ranging from methane to kerosene are investigated. Thus, flames with different sooting characteristics are covered. An excellent agreement with experimental data is achieved for all configurations investigated. A fundamental feature of the new model is that with a single set of constants it is able to accurately describe the soot dynamics of different fuels at different operating conditions. (author)« less

  11. Collective Langevin dynamics of conformational motions in proteins

    NASA Astrophysics Data System (ADS)

    Lange, Oliver F.; Grubmüller, Helmut

    2006-06-01

    Functionally relevant slow conformational motions of proteins are, at present, in most cases inaccessible to molecular dynamics (MD) simulations. The main reason is that the major part of the computational effort is spend for the accurate description of a huge number of high frequency motions of the protein and the surrounding solvent. The accumulated influence of these fluctuations is crucial for a correct treatment of the conformational dynamics; however, their details can be considered irrelevant for most purposes. To accurately describe long time protein dynamics we here propose a reduced dimension approach, collective Langevin dynamics (CLD), which evolves the dynamics of the system within a small subspace of relevant collective degrees of freedom. The dynamics within the low-dimensional conformational subspace is evolved via a generalized Langevin equation which accounts for memory effects via memory kernels also extracted from short explicit MD simulations. To determine the memory kernel with differing levels of regularization, we propose and evaluate two methods. As a first test, CLD is applied to describe the conformational motion of the peptide neurotensin. A drastic dimension reduction is achieved by considering one single curved conformational coordinate. CLD yielded accurate thermodynamical and dynamical behaviors. In particular, the rate of transitions between two conformational states agreed well with a rate obtained from a 150ns reference molecular dynamics simulation, despite the fact that the time scale of the transition (˜50ns) was much longer than the 1ns molecular dynamics simulation from which the memory kernel was extracted.

  12. A Multiscale Model for Virus Capsid Dynamics

    PubMed Central

    Chen, Changjun; Saxena, Rishu; Wei, Guo-Wei

    2010-01-01

    Viruses are infectious agents that can cause epidemics and pandemics. The understanding of virus formation, evolution, stability, and interaction with host cells is of great importance to the scientific community and public health. Typically, a virus complex in association with its aquatic environment poses a fabulous challenge to theoretical description and prediction. In this work, we propose a differential geometry-based multiscale paradigm to model complex biomolecule systems. In our approach, the differential geometry theory of surfaces and geometric measure theory are employed as a natural means to couple the macroscopic continuum domain of the fluid mechanical description of the aquatic environment from the microscopic discrete domain of the atomistic description of the biomolecule. A multiscale action functional is constructed as a unified framework to derive the governing equations for the dynamics of different scales. We show that the classical Navier-Stokes equation for the fluid dynamics and Newton's equation for the molecular dynamics can be derived from the least action principle. These equations are coupled through the continuum-discrete interface whose dynamics is governed by potential driven geometric flows. PMID:20224756

  13. Computer program system for dynamic simulation and stability analysis of passive and actively controlled spacecraft. Volume 1. Theory

    NASA Technical Reports Server (NTRS)

    Bodley, C. S.; Devers, D. A.; Park, C. A.

    1975-01-01

    A theoretical development and associated digital computer program system is presented. The dynamic system (spacecraft) is modeled as an assembly of rigid and/or flexible bodies not necessarily in a topological tree configuration. The computer program system may be used to investigate total system dynamic characteristics including interaction effects between rigid and/or flexible bodies, control systems, and a wide range of environmental loadings. Additionally, the program system may be used for design of attitude control systems and for evaluation of total dynamic system performance including time domain response and frequency domain stability analyses. Volume 1 presents the theoretical developments including a description of the physical system, the equations of dynamic equilibrium, discussion of kinematics and system topology, a complete treatment of momentum wheel coupling, and a discussion of gravity gradient and environmental effects. Volume 2, is a program users' guide and includes a description of the overall digital program code, individual subroutines and a description of required program input and generated program output. Volume 3 presents the results of selected demonstration problems that illustrate all program system capabilities.

  14. General relativistic description of the observed galaxy power spectrum: Do we understand what we measure?

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

    Yoo, Jaiyul

    2010-10-15

    We extend the general relativistic description of galaxy clustering developed in Yoo, Fitzpatrick, and Zaldarriaga (2009). For the first time we provide a fully general relativistic description of the observed matter power spectrum and the observed galaxy power spectrum with the linear bias ansatz. It is significantly different from the standard Newtonian description on large scales and especially its measurements on large scales can be misinterpreted as the detection of the primordial non-Gaussianity even in the absence thereof. The key difference in the observed galaxy power spectrum arises from the real-space matter fluctuation defined as the matter fluctuation at themore » hypersurface of the observed redshift. As opposed to the standard description, the shape of the observed galaxy power spectrum evolves in redshift, providing additional cosmological information. While the systematic errors in the standard Newtonian description are negligible in the current galaxy surveys at low redshift, correct general relativistic description is essential for understanding the galaxy power spectrum measurements on large scales in future surveys with redshift depth z{>=}3. We discuss ways to improve the detection significance in the current galaxy surveys and comment on applications of our general relativistic formalism in future surveys.« less

  15. Experimental device for measuring the dynamic properties of diaphragm motors

    NASA Astrophysics Data System (ADS)

    Fojtášek, Kamil; Dvořák, Lukáš; Mejzlík, Jan

    The subject of this paper is to design and description of the experimental device for the determination dynamic properties of diaphragm pneumatic motors. These motors are structurally quite different from conventional pneumatic linear cylinders. The working fluid is typically compressed air, the piston of motor is replaced by an elastic part and during the working cycle there is a contact of two elastic environments. In the manufacturers catalogs of these motors are not given any working characteristics. Description of the dynamic behavior of diaphragm motor will be used for verification of mathematical models.

  16. Variation and Linguistic Theory.

    ERIC Educational Resources Information Center

    Bailey, Charles-James N.

    This volume presents principles and models for describing language variation, and introduces a time-based, dynamic framework for linguistic description. The book first summarizes some of the problems of grammatical description encountered from Saussure through the present and then outlines possibilities for new descriptions of language which take…

  17. 40 CFR 428.60 - Applicability; description of the medium-sized general molded, extruded, and fabricated rubber...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... medium-sized general molded, extruded, and fabricated rubber plants subcategory. 428.60 Section 428.60... RUBBER MANUFACTURING POINT SOURCE CATEGORY Medium-Sized General Molded, Extruded, and Fabricated Rubber Plants Subcategory § 428.60 Applicability; description of the medium-sized general molded, extruded, and...

  18. 40 CFR 428.60 - Applicability; description of the medium-sized general molded, extruded, and fabricated rubber...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... medium-sized general molded, extruded, and fabricated rubber plants subcategory. 428.60 Section 428.60... (CONTINUED) RUBBER MANUFACTURING POINT SOURCE CATEGORY Medium-Sized General Molded, Extruded, and Fabricated Rubber Plants Subcategory § 428.60 Applicability; description of the medium-sized general molded...

  19. 40 CFR 428.60 - Applicability; description of the medium-sized general molded, extruded, and fabricated rubber...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... medium-sized general molded, extruded, and fabricated rubber plants subcategory. 428.60 Section 428.60... (CONTINUED) RUBBER MANUFACTURING POINT SOURCE CATEGORY Medium-Sized General Molded, Extruded, and Fabricated Rubber Plants Subcategory § 428.60 Applicability; description of the medium-sized general molded...

  20. Introduction

    USDA-ARS?s Scientific Manuscript database

    The introduction to the second edition of the Compendium of Apple and Pear Diseases contains a general description of genus and species of commercial importance, some general information about growth and fruiting habits as well as recent production statistics. A general description of major scion c...

  1. Nonlinear optics of fibre event horizons.

    PubMed

    Webb, Karen E; Erkintalo, Miro; Xu, Yiqing; Broderick, Neil G R; Dudley, John M; Genty, Goëry; Murdoch, Stuart G

    2014-09-17

    The nonlinear interaction of light in an optical fibre can mimic the physics at an event horizon. This analogue arises when a weak probe wave is unable to pass through an intense soliton, despite propagating at a different velocity. To date, these dynamics have been described in the time domain in terms of a soliton-induced refractive index barrier that modifies the velocity of the probe. Here we complete the physical description of fibre-optic event horizons by presenting a full frequency-domain description in terms of cascaded four-wave mixing between discrete single-frequency fields, and experimentally demonstrate signature frequency shifts using continuous wave lasers. Our description is confirmed by the remarkable agreement with experiments performed in the continuum limit, reached using ultrafast lasers. We anticipate that clarifying the description of fibre event horizons will significantly impact on the description of horizon dynamics and soliton interactions in photonics and other systems.

  2. Classical Mathematical Models for Description and Prediction of Experimental Tumor Growth

    PubMed Central

    Benzekry, Sébastien; Lamont, Clare; Beheshti, Afshin; Tracz, Amanda; Ebos, John M. L.; Hlatky, Lynn; Hahnfeldt, Philip

    2014-01-01

    Despite internal complexity, tumor growth kinetics follow relatively simple laws that can be expressed as mathematical models. To explore this further, quantitative analysis of the most classical of these were performed. The models were assessed against data from two in vivo experimental systems: an ectopic syngeneic tumor (Lewis lung carcinoma) and an orthotopically xenografted human breast carcinoma. The goals were threefold: 1) to determine a statistical model for description of the measurement error, 2) to establish the descriptive power of each model, using several goodness-of-fit metrics and a study of parametric identifiability, and 3) to assess the models' ability to forecast future tumor growth. The models included in the study comprised the exponential, exponential-linear, power law, Gompertz, logistic, generalized logistic, von Bertalanffy and a model with dynamic carrying capacity. For the breast data, the dynamics were best captured by the Gompertz and exponential-linear models. The latter also exhibited the highest predictive power, with excellent prediction scores (≥80%) extending out as far as 12 days in the future. For the lung data, the Gompertz and power law models provided the most parsimonious and parametrically identifiable description. However, not one of the models was able to achieve a substantial prediction rate (≥70%) beyond the next day data point. In this context, adjunction of a priori information on the parameter distribution led to considerable improvement. For instance, forecast success rates went from 14.9% to 62.7% when using the power law model to predict the full future tumor growth curves, using just three data points. These results not only have important implications for biological theories of tumor growth and the use of mathematical modeling in preclinical anti-cancer drug investigations, but also may assist in defining how mathematical models could serve as potential prognostic tools in the clinic. PMID:25167199

  3. Classical mathematical models for description and prediction of experimental tumor growth.

    PubMed

    Benzekry, Sébastien; Lamont, Clare; Beheshti, Afshin; Tracz, Amanda; Ebos, John M L; Hlatky, Lynn; Hahnfeldt, Philip

    2014-08-01

    Despite internal complexity, tumor growth kinetics follow relatively simple laws that can be expressed as mathematical models. To explore this further, quantitative analysis of the most classical of these were performed. The models were assessed against data from two in vivo experimental systems: an ectopic syngeneic tumor (Lewis lung carcinoma) and an orthotopically xenografted human breast carcinoma. The goals were threefold: 1) to determine a statistical model for description of the measurement error, 2) to establish the descriptive power of each model, using several goodness-of-fit metrics and a study of parametric identifiability, and 3) to assess the models' ability to forecast future tumor growth. The models included in the study comprised the exponential, exponential-linear, power law, Gompertz, logistic, generalized logistic, von Bertalanffy and a model with dynamic carrying capacity. For the breast data, the dynamics were best captured by the Gompertz and exponential-linear models. The latter also exhibited the highest predictive power, with excellent prediction scores (≥80%) extending out as far as 12 days in the future. For the lung data, the Gompertz and power law models provided the most parsimonious and parametrically identifiable description. However, not one of the models was able to achieve a substantial prediction rate (≥70%) beyond the next day data point. In this context, adjunction of a priori information on the parameter distribution led to considerable improvement. For instance, forecast success rates went from 14.9% to 62.7% when using the power law model to predict the full future tumor growth curves, using just three data points. These results not only have important implications for biological theories of tumor growth and the use of mathematical modeling in preclinical anti-cancer drug investigations, but also may assist in defining how mathematical models could serve as potential prognostic tools in the clinic.

  4. Measurements in Quantum Mechanics and von NEUMANN's Model

    NASA Astrophysics Data System (ADS)

    Mello, Pier A.; Johansen, Lars M.

    2010-12-01

    Many textbooks on Quantum Mechanics are not very precise as to the meaning of making a measurement: as a consequence, they frequently make assertions which are not based on a dynamical description of the measurement process. A model proposed by von Neumann allows a dynamical description of measurement in Quantum Mechanics, including the measuring instrument in the formalism. In this article we apply von Neumann's model to illustrate the measurement of an observable by means of a measuring instrument and show how various results, which are sometimens postulated without a dynamical basis, actually emerge. We also investigate the more complex, intriguing and fundamental problem of two successive measurements in Quantum Mechanics, extending von Neumann's model to two measuring instruments. We present a description which allows obtaining, in a unified way, various results that have been given in the literature.

  5. Flexible and Comprehensive Implementation of MD-PMM Approach in a General and Robust Code.

    PubMed

    Carrillo-Parramon, Oliver; Del Galdo, Sara; Aschi, Massimiliano; Mancini, Giordano; Amadei, Andrea; Barone, Vincenzo

    2017-11-14

    The Perturbed Matrix Method (PMM) approach to be used in combination with Molecular Dynamics (MD) trajectories (MD-PMM) has been recoded from scratch, improved in several aspects, and implemented in the Gaussian suite of programs for allowing a user-friendly and yet flexible tool to estimate quantum chemistry observables in complex systems in condensed phases. Particular attention has been devoted to a description of rigid and flexible quantum centers together with powerful essential dynamics and clustering approaches. The default implementation is fully black-box and does not require any external action concerning both MD and PMM sections. At the same time, fine-tuning of different parameters and use of external data are allowed in all the steps of the procedure. Two specific systems (Tyrosine and Uridine) have been reinvestigated with the new version of the code in order to validate the implementation, check the performances, and illustrate some new features.

  6. Quantum Information Biology: From Theory of Open Quantum Systems to Adaptive Dynamics

    NASA Astrophysics Data System (ADS)

    Asano, Masanari; Basieva, Irina; Khrennikov, Andrei; Ohya, Masanori; Tanaka, Yoshiharu; Yamato, Ichiro

    This chapter reviews quantum(-like) information biology (QIB). Here biology is treated widely as even covering cognition and its derivatives: psychology and decision making, sociology, and behavioral economics and finances. QIB provides an integrative description of information processing by bio-systems at all scales of life: from proteins and cells to cognition, ecological and social systems. Mathematically QIB is based on the theory of adaptive quantum systems (which covers also open quantum systems). Ideologically QIB is based on the quantum-like (QL) paradigm: complex bio-systems process information in accordance with the laws of quantum information and probability. This paradigm is supported by plenty of statistical bio-data collected at all bio-scales. QIB re ects the two fundamental principles: a) adaptivity; and, b) openness (bio-systems are fundamentally open). In addition, quantum adaptive dynamics provides the most generally possible mathematical representation of these principles.

  7. Control of Flexible Structures (COFS) Flight Experiment Background and Description

    NASA Technical Reports Server (NTRS)

    Hanks, B. R.

    1985-01-01

    A fundamental problem in designing and delivering large space structures to orbit is to provide sufficient structural stiffness and static configuration precision to meet performance requirements. These requirements are directly related to control requirements and the degree of control system sophistication available to supplement the as-built structure. Background and rationale are presented for a research study in structures, structural dynamics, and controls using a relatively large, flexible beam as a focus. This experiment would address fundamental problems applicable to large, flexible space structures in general and would involve a combination of ground tests, flight behavior prediction, and instrumented orbital tests. Intended to be multidisciplinary but basic within each discipline, the experiment should provide improved understanding and confidence in making design trades between structural conservatism and control system sophistication for meeting static shape and dynamic response/stability requirements. Quantitative results should be obtained for use in improving the validity of ground tests for verifying flight performance analyses.

  8. deltaGseg: macrostate estimation via molecular dynamics simulations and multiscale time series analysis.

    PubMed

    Low, Diana H P; Motakis, Efthymios

    2013-10-01

    Binding free energy calculations obtained through molecular dynamics simulations reflect intermolecular interaction states through a series of independent snapshots. Typically, the free energies of multiple simulated series (each with slightly different starting conditions) need to be estimated. Previous approaches carry out this task by moving averages at certain decorrelation times, assuming that the system comes from a single conformation description of binding events. Here, we discuss a more general approach that uses statistical modeling, wavelets denoising and hierarchical clustering to estimate the significance of multiple statistically distinct subpopulations, reflecting potential macrostates of the system. We present the deltaGseg R package that performs macrostate estimation from multiple replicated series and allows molecular biologists/chemists to gain physical insight into the molecular details that are not easily accessible by experimental techniques. deltaGseg is a Bioconductor R package available at http://bioconductor.org/packages/release/bioc/html/deltaGseg.html.

  9. Coupling all-atom molecular dynamics simulations of ions in water with Brownian dynamics.

    PubMed

    Erban, Radek

    2016-02-01

    Molecular dynamics (MD) simulations of ions (K + , Na + , Ca 2+ and Cl - ) in aqueous solutions are investigated. Water is described using the SPC/E model. A stochastic coarse-grained description for ion behaviour is presented and parametrized using MD simulations. It is given as a system of coupled stochastic and ordinary differential equations, describing the ion position, velocity and acceleration. The stochastic coarse-grained model provides an intermediate description between all-atom MD simulations and Brownian dynamics (BD) models. It is used to develop a multiscale method which uses all-atom MD simulations in parts of the computational domain and (less detailed) BD simulations in the remainder of the domain.

  10. The influence of socio cultural dynamics on convergence communication of aquaculture agribusiness actors

    NASA Astrophysics Data System (ADS)

    Oktavia, Y.

    2018-03-01

    This research aims to: (1) Analyze the level of socio-cultural dynamics of agibusiness aquaculture actors. (2) Analyze the influence of socio-cultural dynamics on convergence communication of capacity development of aquaculture agribusiness actors.Data was collected by questionnaire and interview of group members on agribusiness. Data analyze was done by descriptive and inferential statistics with using SEM method. The result of descriptive statistics on 284 agribusiness members showed that: Socio-cultural dynamics of agibusiness aquaculture actors was in low category, as shown by lack of the role of customary institutions and quality of local leadership.The communication convergence is significantly and positively influenced by the communication behavior of agribusiness actors in access information.

  11. 22 CFR 66.2 - Location of description of organization and substantive rules of general applicability adopted as...

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... substantive rules of general applicability adopted as authorized by law, and statements of general applicability formulated and adopted by NED. 66.2 Section 66.2 Foreign Relations DEPARTMENT OF STATE PUBLIC... of description of organization and substantive rules of general applicability adopted as authorized...

  12. Spacecraft attitude determination accuracy from mission experience

    NASA Technical Reports Server (NTRS)

    Brasoveanu, D.; Hashmall, J.

    1994-01-01

    This paper summarizes a compilation of attitude determination accuracies attained by a number of satellites supported by the Goddard Space Flight Center Flight Dynamics Facility. The compilation is designed to assist future mission planners in choosing and placing attitude hardware and selecting the attitude determination algorithms needed to achieve given accuracy requirements. The major goal of the compilation is to indicate realistic accuracies achievable using a given sensor complement based on mission experience. It is expected that the use of actual spacecraft experience will make the study especially useful for mission design. A general description of factors influencing spacecraft attitude accuracy is presented. These factors include determination algorithms, inertial reference unit characteristics, and error sources that can affect measurement accuracy. Possible techniques for mitigating errors are also included. Brief mission descriptions are presented with the attitude accuracies attained, grouped by the sensor pairs used in attitude determination. The accuracies for inactive missions represent a compendium of missions report results, and those for active missions represent measurements of attitude residuals. Both three-axis and spin stabilized missions are included. Special emphasis is given to high-accuracy sensor pairs, such as two fixed-head star trackers (FHST's) and fine Sun sensor plus FHST. Brief descriptions of sensor design and mode of operation are included. Also included are brief mission descriptions and plots summarizing the attitude accuracy attained using various sensor complements.

  13. Performance of Language-Coordinated Collective Systems: A Study of Wine Recognition and Description

    PubMed Central

    Zubek, Julian; Denkiewicz, Michał; Dębska, Agnieszka; Radkowska, Alicja; Komorowska-Mach, Joanna; Litwin, Piotr; Stępień, Magdalena; Kucińska, Adrianna; Sitarska, Ewa; Komorowska, Krystyna; Fusaroli, Riccardo; Tylén, Kristian; Rączaszek-Leonardi, Joanna

    2016-01-01

    Most of our perceptions of and engagements with the world are shaped by our immersion in social interactions, cultural traditions, tools and linguistic categories. In this study we experimentally investigate the impact of two types of language-based coordination on the recognition and description of complex sensory stimuli: that of red wine. Participants were asked to taste, remember and successively recognize samples of wines within a larger set in a two-by-two experimental design: (1) either individually or in pairs, and (2) with or without the support of a sommelier card—a cultural linguistic tool designed for wine description. Both effectiveness of recognition and the kinds of errors in the four conditions were analyzed. While our experimental manipulations did not impact recognition accuracy, bias-variance decomposition of error revealed non-trivial differences in how participants solved the task. Pairs generally displayed reduced bias and increased variance compared to individuals, however the variance dropped significantly when they used the sommelier card. The effect of sommelier card reducing the variance was observed only in pairs, individuals did not seem to benefit from the cultural linguistic tool. Analysis of descriptions generated with the aid of sommelier cards shows that pairs were more coherent and discriminative than individuals. The findings are discussed in terms of global properties and dynamics of collective systems when constrained by different types of cultural practices. PMID:27729875

  14. The Contexts of Composing: A Dynamic Scene with Movable Centers.

    ERIC Educational Resources Information Center

    Wiley, Mark L.

    An examination of the transformations that the concept of genius undergoes when viewed through the apparently incommensurable expressivistic and social views of composing helps to reconcile phenomenologically objective descriptions of composing with value-laden descriptions of the self in the act of writing. When the description of composition is…

  15. 47 CFR 0.5 - General description of Commission organization and operations.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 1 2012-10-01 2012-10-01 false General description of Commission organization and operations. 0.5 Section 0.5 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL COMMISSION...) Office of Workplace Diversity (11) Wireline Competition Bureau. (12) Wireless Telecommunications Bureau...

  16. Protein normal-mode dynamics: trypsin inhibitor, crambin, ribonuclease and lysozyme.

    PubMed

    Levitt, M; Sander, C; Stern, P S

    1985-02-05

    We have developed a new method for modelling protein dynamics using normal-mode analysis in internal co-ordinates. This method, normal-mode dynamics, is particularly well suited for modelling collective motion, makes possible direct visualization of biologically interesting modes, and is complementary to the more time-consuming simulation of molecular dynamics trajectories. The essential assumption and limitation of normal-mode analysis is that the molecular potential energy varies quadratically. Our study starts with energy minimization of the X-ray co-ordinates with respect to the single-bond torsion angles. The main technical task is the calculation of second derivative matrices of kinetic and potential energy with respect to the torsion angle co-ordinates. These enter into a generalized eigenvalue problem, and the final eigenvalues and eigenvectors provide a complete description of the motion in the basic 0.1 to 10 picosecond range. Thermodynamic averages of amplitudes, fluctuations and correlations can be calculated efficiently using analytical formulae. The general method presented here is applied to four proteins, trypsin inhibitor, crambin, ribonuclease and lysozyme. When the resulting atomic motion is visualized by computer graphics, it is clear that the motion of each protein is collective with all atoms participating in each mode. The slow modes, with frequencies of below 10 cm-1 (a period of 3 ps), are the most interesting in that the motion in these modes is segmental. The root-mean-square atomic fluctuations, which are dominated by a few slow modes, agree well with experimental temperature factors (B values). The normal-mode dynamics of these four proteins have many features in common, although in the larger molecules, lysozyme and ribonuclease, there is low frequency domain motion about the active site.

  17. A comparison of general and descriptive praise in teaching intraverbal behavior to children with autism.

    PubMed

    Polick, Amy S; Carr, James E; Hanney, Nicole M

    2012-01-01

    Descriptive praise has been recommended widely as an important teaching tactic for children with autism, despite the absence of published supporting evidence. We compared the effects of descriptive and general praise on the acquisition and maintenance of intraverbal skills with 2 children with autism. The results showed slight advantages of descriptive praise in teaching efficiency in the majority of comparisons; however, these effects dissipated over time.

  18. General description of circularly symmetric Bessel beams of arbitrary order

    NASA Astrophysics Data System (ADS)

    Wang, Jia Jie; Wriedt, Thomas; Lock, James A.; Mädler, Lutz

    2016-11-01

    A general description of circularly symmetric Bessel beams of arbitrary order is derived in this paper. This is achieved by analyzing the relationship between different descriptions of polarized Bessel beams obtained using different approaches. It is shown that a class of circularly symmetric Davis Bessel beams derived using the Hertz vector potentials possesses the same general functional dependence as the aplanatic Bessel beams generated using the angular spectrum representation (ASR). This result bridges the gap between different descriptions of Bessel beams and leads to a general description of circularly symmetric Bessel beams, such that the Davis Bessel beams and the aplanatic Bessel beams are merely the two simplest cases of an infinite number of possible circularly symmetric Bessel beams. Additionally, magnitude profiles of the electric and magnetic fields, the energy density and the Poynting vector are displayed for Bessel beams in both paraxial and nonparaxial cases. The results presented in this paper provide a fresh perspective on the description of Bessel beams and cast some insights into the light scattering and light-matter interactions problems in practice.

  19. The allosteric communication pathways in KIX domain of CBP.

    PubMed

    Palazzesi, Ferruccio; Barducci, Alessandro; Tollinger, Martin; Parrinello, Michele

    2013-08-27

    Allosteric regulation plays an important role in a myriad of biomacromolecular processes. Specifically, in a protein, the process of allostery refers to the transmission of a local perturbation, such as ligand binding, to a distant site. Decades after the discovery of this phenomenon, models built on static images of proteins are being reconsidered with the knowledge that protein dynamics plays an important role in its function. Molecular dynamics simulations are a valuable tool for studying complex biomolecular systems, providing an atomistic description of their structure and dynamics. Unfortunately, their predictive power has been limited by the complexity of the biomolecule free-energy surface and by the length of the allosteric timescale (in the order of milliseconds). In this work, we are able to probe the origins of the allosteric changes that transcription factor mixed lineage leukemia (MLL) causes to the interactions of KIX domain of CREB-binding protein (CBP) with phosphorylated kinase inducible domain (pKID), by combing all-atom molecular dynamics with enhanced sampling methods recently developed in our group. We discuss our results in relation to previous NMR studies. We also develop a general simulations protocol to study allosteric phenomena and many other biological processes that occur in the micro/milliseconds timescale.

  20. On the origin of reproducible sequential activity in neural circuits

    NASA Astrophysics Data System (ADS)

    Afraimovich, V. S.; Zhigulin, V. P.; Rabinovich, M. I.

    2004-12-01

    Robustness and reproducibility of sequential spatio-temporal responses is an essential feature of many neural circuits in sensory and motor systems of animals. The most common mathematical images of dynamical regimes in neural systems are fixed points, limit cycles, chaotic attractors, and continuous attractors (attractive manifolds of neutrally stable fixed points). These are not suitable for the description of reproducible transient sequential neural dynamics. In this paper we present the concept of a stable heteroclinic sequence (SHS), which is not an attractor. SHS opens the way for understanding and modeling of transient sequential activity in neural circuits. We show that this new mathematical object can be used to describe robust and reproducible sequential neural dynamics. Using the framework of a generalized high-dimensional Lotka-Volterra model, that describes the dynamics of firing rates in an inhibitory network, we present analytical results on the existence of the SHS in the phase space of the network. With the help of numerical simulations we confirm its robustness in presence of noise in spite of the transient nature of the corresponding trajectories. Finally, by referring to several recent neurobiological experiments, we discuss possible applications of this new concept to several problems in neuroscience.

  1. On the origin of reproducible sequential activity in neural circuits.

    PubMed

    Afraimovich, V S; Zhigulin, V P; Rabinovich, M I

    2004-12-01

    Robustness and reproducibility of sequential spatio-temporal responses is an essential feature of many neural circuits in sensory and motor systems of animals. The most common mathematical images of dynamical regimes in neural systems are fixed points, limit cycles, chaotic attractors, and continuous attractors (attractive manifolds of neutrally stable fixed points). These are not suitable for the description of reproducible transient sequential neural dynamics. In this paper we present the concept of a stable heteroclinic sequence (SHS), which is not an attractor. SHS opens the way for understanding and modeling of transient sequential activity in neural circuits. We show that this new mathematical object can be used to describe robust and reproducible sequential neural dynamics. Using the framework of a generalized high-dimensional Lotka-Volterra model, that describes the dynamics of firing rates in an inhibitory network, we present analytical results on the existence of the SHS in the phase space of the network. With the help of numerical simulations we confirm its robustness in presence of noise in spite of the transient nature of the corresponding trajectories. Finally, by referring to several recent neurobiological experiments, we discuss possible applications of this new concept to several problems in neuroscience.

  2. Nonequilibrium thermodynamics and information theory: basic concepts and relaxing dynamics

    NASA Astrophysics Data System (ADS)

    Altaner, Bernhard

    2017-11-01

    Thermodynamics is based on the notions of energy and entropy. While energy is the elementary quantity governing physical dynamics, entropy is the fundamental concept in information theory. In this work, starting from first principles, we give a detailed didactic account on the relations between energy and entropy and thus physics and information theory. We show that thermodynamic process inequalities, like the second law, are equivalent to the requirement that an effective description for physical dynamics is strongly relaxing. From the perspective of information theory, strongly relaxing dynamics govern the irreversible convergence of a statistical ensemble towards the maximally non-commital probability distribution that is compatible with thermodynamic equilibrium parameters. In particular, Markov processes that converge to a thermodynamic equilibrium state are strongly relaxing. Our framework generalizes previous results to arbitrary open and driven systems, yielding novel thermodynamic bounds for idealized and real processes. , which features invited work from the best early-career researchers working within the scope of J. Phys. A. This project is part of the Journal of Physics series’ 50th anniversary celebrations in 2017. Bernhard Altaner was selected by the Editorial Board of J. Phys. A as an Emerging Talent.

  3. Using transfer functions to quantify El Niño Southern Oscillation dynamics in data and models.

    PubMed

    MacMartin, Douglas G; Tziperman, Eli

    2014-09-08

    Transfer function tools commonly used in engineering control analysis can be used to better understand the dynamics of El Niño Southern Oscillation (ENSO), compare data with models and identify systematic model errors. The transfer function describes the frequency-dependent input-output relationship between any pair of causally related variables, and can be estimated from time series. This can be used first to assess whether the underlying relationship is or is not frequency dependent, and if so, to diagnose the underlying differential equations that relate the variables, and hence describe the dynamics of individual subsystem processes relevant to ENSO. Estimating process parameters allows the identification of compensating model errors that may lead to a seemingly realistic simulation in spite of incorrect model physics. This tool is applied here to the TAO array ocean data, the GFDL-CM2.1 and CCSM4 general circulation models, and to the Cane-Zebiak ENSO model. The delayed oscillator description is used to motivate a few relevant processes involved in the dynamics, although any other ENSO mechanism could be used instead. We identify several differences in the processes between the models and data that may be useful for model improvement. The transfer function methodology is also useful in understanding the dynamics and evaluating models of other climate processes.

  4. Dynamic stability of vortex solutions of Ginzburg-Landau and nonlinear Schrödinger equations

    NASA Astrophysics Data System (ADS)

    Weinstein, M. I.; Xin, J.

    1996-10-01

    The dynamic stability of vortex solutions to the Ginzburg-Landau and nonlinear Schrödinger equations is the basic assumption of the asymptotic particle plus field description of interacting vortices. For the Ginzburg-Landau dynamics we prove that all vortices are asymptotically nonlinearly stable relative to small radial perturbations. Initially finite energy perturbations of vortices decay to zero in L p (ℝ2) spaces with an algebraic rate as time tends to infinity. We also prove that under general (nonradial) perturbations, the plus and minus one-vortices are linearly dynamically stable in L 2; the linearized operator has spectrum equal to (-∞, 0] and generates a C 0 semigroup of contractions on L 2(ℝ2). The nature of the zero energy point is clarified; it is resonance, a property related to the infinite energy of planar vortices. Our results on the linearized operator are also used to show that the plus and minus one-vortices for the Schrödinger (Hamiltonian) dynamics are spectrally stable, i.e. the linearized operator about these vortices has ( L 2) spectrum equal to the imaginary axis. The key ingredients of our analysis are the Nash-Aronson estimates for obtaining Gaussian upper bounds for fundamental solutions of parabolic operator, and a combination of variational and maximum principles.

  5. The effects of distributed life cycles on the dynamics of viral infections.

    PubMed

    Campos, Daniel; Méndez, Vicenç; Fedotov, Sergei

    2008-09-21

    We explore the role of cellular life cycles for viruses and host cells in an infection process. For this purpose, we derive a generalized version of the basic model of virus dynamics (Nowak, M.A., Bangham, C.R.M., 1996. Population dynamics of immune responses to persistent viruses. Science 272, 74-79) from a mesoscopic description. In its final form the model can be written as a set of Volterra integrodifferential equations. We consider the role of distributed lifespans and a intracellular (eclipse) phase. These processes are implemented by means of probability distribution functions. The basic reproductive ratio R(0) of the infection is properly defined in terms of such distributions by using an analysis of the equilibrium states and their stability. It is concluded that the introduction of distributed delays can strongly modify both the value of R(0) and the predictions for the virus loads, so the effects on the infection dynamics are of major importance. We also show how the model presented here can be applied to some simple situations where direct comparison with experiments is possible. Specifically, phage-bacteria interactions are analyzed. The dynamics of the eclipse phase for phages is characterized analytically, which allows us to compare the performance of three different fittings proposed before for the one-step growth curve.

  6. Stochastic modelling of microstructure formation in solidification processes

    NASA Astrophysics Data System (ADS)

    Nastac, Laurentiu; Stefanescu, Doru M.

    1997-07-01

    To relax many of the assumptions used in continuum approaches, a general stochastic model has been developed. The stochastic model can be used not only for an accurate description of the fraction of solid evolution, and therefore accurate cooling curves, but also for simulation of microstructure formation in castings. The advantage of using the stochastic approach is to give a time- and space-dependent description of solidification processes. Time- and space-dependent processes can also be described by partial differential equations. Unlike a differential formulation which, in most cases, has to be transformed into a difference equation and solved numerically, the stochastic approach is essentially a direct numerical algorithm. The stochastic model is comprehensive, since the competition between various phases is considered. Furthermore, grain impingement is directly included through the structure of the model. In the present research, all grain morphologies are simulated with this procedure. The relevance of the stochastic approach is that the simulated microstructures can be directly compared with microstructures obtained from experiments. The computer becomes a `dynamic metallographic microscope'. A comparison between deterministic and stochastic approaches has been performed. An important objective of this research was to answer the following general questions: (1) `Would fully deterministic approaches continue to be useful in solidification modelling?' and (2) `Would stochastic algorithms be capable of entirely replacing purely deterministic models?'

  7. A gauge-theoretic approach to gravity

    PubMed Central

    Krasnov, Kirill

    2012-01-01

    Einstein's general relativity (GR) is a dynamical theory of the space–time metric. We describe an approach in which GR becomes an SU(2) gauge theory. We start at the linearized level and show how a gauge-theoretic Lagrangian for non-interacting massless spin two particles (gravitons) takes a much more simple and compact form than in the standard metric description. Moreover, in contrast to the GR situation, the gauge theory Lagrangian is convex. We then proceed with a formulation of the full nonlinear theory. The equivalence to the metric-based GR holds only at the level of solutions of the field equations, that is, on-shell. The gauge-theoretic approach also makes it clear that GR is not the only interacting theory of massless spin two particles, in spite of the GR uniqueness theorems available in the metric description. Thus, there is an infinite-parameter class of gravity theories all describing just two propagating polarizations of the graviton. We describe how matter can be coupled to gravity in this formulation and, in particular, how both the gravity and Yang–Mills arise as sectors of a general diffeomorphism-invariant gauge theory. We finish by outlining a possible scenario of the ultraviolet completion of quantum gravity within this approach. PMID:22792040

  8. Kinetic damping in the spectra of the spherical impedance probe

    NASA Astrophysics Data System (ADS)

    Oberrath, J.

    2018-04-01

    The impedance probe is a measurement device to measure plasma parameters, such as electron density. It consists of one electrode connected to a network analyzer via a coaxial cable and is immersed into a plasma. A bias potential superposed with an alternating potential is applied to the electrode and the response of the plasma is measured. Its dynamical interaction with the plasma in an electrostatic, kinetic description can be modeled in an abstract notation based on functional analytic methods. These methods provide the opportunity to derive a general solution, which is given as the response function of the probe–plasma system. It is defined by the matrix elements of the resolvent of an appropriate dynamical operator. Based on the general solution, a residual damping for vanishing pressure can be predicted and can only be explained by kinetic effects. In this paper, an explicit response function of the spherical impedance probe is derived. Therefore, the resolvent is determined by its algebraic representation based on an expansion in orthogonal basis functions. This allows one to compute an approximated response function and its corresponding spectra. These spectra show additional damping due to kinetic effects and are in good agreement with former kinetically determined spectra.

  9. Generalized extended Navier-Stokes theory: multiscale spin relaxation in molecular fluids.

    PubMed

    Hansen, J S

    2013-09-01

    This paper studies the relaxation of the molecular spin angular velocity in the framework of generalized extended Navier-Stokes theory. Using molecular dynamics simulations, it is shown that for uncharged diatomic molecules the relaxation time decreases with increasing molecular moment of inertia per unit mass. In the regime of large moment of inertia the fast relaxation is wave-vector independent and dominated by the coupling between spin and the fluid streaming velocity, whereas for small inertia the relaxation is slow and spin diffusion plays a significant role. The fast wave-vector-independent relaxation is also observed for highly packed systems. The transverse and longitudinal spin modes have, to a good approximation, identical relaxation, indicating that the longitudinal and transverse spin viscosities have same value. The relaxation is also shown to be isomorphic invariant. Finally, the effect of the coupling in the zero frequency and wave-vector limit is quantified by a characteristic length scale; if the system dimension is comparable to this length the coupling must be included into the fluid dynamical description. It is found that the length scale is independent of moment of inertia but dependent on the state point.

  10. Hilbert's sixth problem and the failure of the Boltzmann to Euler limit

    NASA Astrophysics Data System (ADS)

    Slemrod, Marshall

    2018-04-01

    This paper addresses the main issue of Hilbert's sixth problem, namely the rigorous passage of solutions to the mesoscopic Boltzmann equation to macroscopic solutions of the Euler equations of compressible gas dynamics. The results of the paper are that (i) in general Hilbert's program will fail because of the appearance of van der Waals-Korteweg capillarity terms in a macroscopic description of motion of a gas, and (ii) the van der Waals-Korteweg theory itself might satisfy Hilbert's quest for a map from the `atomistic view' to the laws of motion of continua. This article is part of the theme issue `Hilbert's sixth problem'.

  11. Precise control of molecular dynamics with a femtosecond frequency comb.

    PubMed

    Pe'er, Avi; Shapiro, Evgeny A; Stowe, Matthew C; Shapiro, Moshe; Ye, Jun

    2007-03-16

    We present a general and highly efficient scheme for performing narrow-band Raman transitions between molecular vibrational levels using a coherent train of weak pump-dump pairs of shaped ultrashort pulses. The use of weak pulses permits an analytic description within the framework of coherent control in the perturbative regime, while coherent accumulation of many pulse pairs enables near unity transfer efficiency with a high spectral selectivity, thus forming a powerful combination of pump-dump control schemes and the precision of the frequency comb. Simulations verify the feasibility and robustness of this concept, with the aim to form deeply bound, ultracold molecules.

  12. Synchronization in counter-rotating oscillators.

    PubMed

    Bhowmick, Sourav K; Ghosh, Dibakar; Dana, Syamal K

    2011-09-01

    An oscillatory system can have opposite senses of rotation, clockwise or anticlockwise. We present a general mathematical description of how to obtain counter-rotating oscillators from the definition of a dynamical system. A type of mixed synchronization emerges in counter-rotating oscillators under diffusive scalar coupling when complete synchronization and antisynchronization coexist in different state variables. We present numerical examples of limit cycle van der Pol oscillator and chaotic Rössler and Lorenz systems. Stability conditions of mixed synchronization are analytically obtained for both Rössler and Lorenz systems. Experimental evidences of counter-rotating limit cycle and chaotic oscillators and mixed synchronization are given in electronic circuits.

  13. Theoretical princi les of constructing the equations of motion for a spin color-charged particle in gauge and fermion fields

    NASA Astrophysics Data System (ADS)

    Markov, Yu. A.; Shishmarev, A. A.

    2010-11-01

    Based on the most general principles of materiality, gauge, and re-parameterized invariance, the problem of constructing an action describing the dynamics of a classical color-charged particle moving in external non-Abelian gauge and fermion fields is considered. The case of a linear Lagrangian dependence on the external fermion fields is discussed. Within the framework of the description of the color degree of freedom of the particle with half-integer spin by the Grassmann color charges, a new concept of the Grassmann color source of the particle being a fermion analog of the conventional color current is introduced.

  14. Two-legged walking robot prescribed motion on a rough cylinder

    NASA Astrophysics Data System (ADS)

    Golubev, Yury; Melkumova, Elena

    2018-05-01

    The motion of a walking robot with n legs, that ensure the desired motion of the robot body, is described using general dynamics theoretical framework. When each of the robot legs contacts the surface in a single foothold, the momentum and angular momentum theorems yield a system of six differential equations that form a complete description of the robot motion. In the case of two-leg robot (n = 2) the problem of the existence of the solution can be reduced to a system of algebraic inequalities. Using numerical analysis, the classification of footholds positions for different values of the friction coefficient is obtained.

  15. Brownian motion of classical spins: Anomalous dissipation and generalized Langevin equation

    NASA Astrophysics Data System (ADS)

    Bandyopadhyay, Malay; Jayannavar, A. M.

    2017-10-01

    In this work, we derive the Langevin equation (LE) of a classical spin interacting with a heat bath through momentum variables, starting from the fully dynamical Hamiltonian description. The derived LE with anomalous dissipation is analyzed in detail. The obtained LE is non-Markovian with multiplicative noise terms. The concomitant dissipative terms obey the fluctuation-dissipation theorem. The Markovian limit correctly produces the Kubo and Hashitsume equation. The perturbative treatment of our equations produces the Landau-Lifshitz equation and the Seshadri-Lindenberg equation. Then we derive the Fokker-Planck equation corresponding to LE and the concept of equilibrium probability distribution is analyzed.

  16. Spherical and hyperspherical harmonics representation of van der Waals aggregates

    NASA Astrophysics Data System (ADS)

    Lombardi, Andrea; Palazzetti, Federico; Aquilanti, Vincenzo; Grossi, Gaia; Albernaz, Alessandra F.; Barreto, Patricia R. P.; Cruz, Ana Claudia P. S.

    2016-12-01

    The representation of the potential energy surfaces of atom-molecule or molecular dimers interactions should account faithfully for the symmetry properties of the systems, preserving at the same time a compact analytical form. To this aim, the choice of a proper set of coordinates is a necessary precondition. Here we illustrate a description in terms of hyperspherical coordinates and the expansion of the intermolecular interaction energy in terms of hypersherical harmonics, as a general method for building potential energy surfaces suitable for molecular dynamics simulations of van der Waals aggregates. Examples for the prototypical case diatomic-molecule-diatomic-molecule interactions are shown.

  17. Adiabatic description of long range frequency sweeping

    NASA Astrophysics Data System (ADS)

    Nyqvist, R. M.; Lilley, M. K.; Breizman, B. N.

    2012-09-01

    A theoretical framework is developed to describe long range frequency sweeping events in the 1D electrostatic bump-on-tail model with fast particle sources and collisions. The model includes three collision operators (Krook, drag (dynamical friction) and velocity space diffusion), and allows for a general shape of the fast particle distribution function. The behaviour of phase space holes and clumps is analysed in the absence of diffusion, and the effect of particle trapping due to separatrix expansion is discussed. With a fast particle distribution function whose slope decays above the resonant phase velocity, hooked frequency sweeping is found for holes in the presence of drag collisions alone.

  18. Deterministic quantum controlled-PHASE gates based on non-Markovian environments

    NASA Astrophysics Data System (ADS)

    Zhang, Rui; Chen, Tian; Wang, Xiang-Bin

    2017-12-01

    We study the realization of the quantum controlled-PHASE gate in an atom-cavity system beyond the Markovian approximation. The general description of the dynamics for the atom-cavity system without any approximation is presented. When the spectral density of the reservoir has the Lorentz form, by making use of the memory backflow from the reservoir, we can always construct the deterministic quantum controlled-PHASE gate between a photon and an atom, no matter the atom-cavity coupling strength is weak or strong. While, the phase shift in the output pulse hinders the implementation of quantum controlled-PHASE gates in the sub-Ohmic, Ohmic or super-Ohmic reservoirs.

  19. Life cycle theory and the residential mobility of older Canadians.

    PubMed

    Ostrovsky, Yuri

    2004-01-01

    This paper outlines a debate in the economics literature about the role of housing wealth in post-retirement consumption choices and provides a description of the patterns of the residential mobility, tenure, and dwelling-type transitions of older Canadians, using the newly available Statistics Canada Survey of Labour and Income Dynamics (SLID). The paper also presents estimation results for a panel data model that accounts for individual heterogeneity. The patterns of residential mobility of older adults in Canada appear to be similar to those in the United States and some European countries and do not seem to be motivated by the desire to use housing wealth for general consumption.

  20. Fokker-Planck description for the queue dynamics of large tick stocks.

    PubMed

    Garèche, A; Disdier, G; Kockelkoren, J; Bouchaud, J-P

    2013-09-01

    Motivated by empirical data, we develop a statistical description of the queue dynamics for large tick assets based on a two-dimensional Fokker-Planck (diffusion) equation. Our description explicitly includes state dependence, i.e., the fact that the drift and diffusion depend on the volume present on both sides of the spread. "Jump" events, corresponding to sudden changes of the best limit price, must also be included as birth-death terms in the Fokker-Planck equation. All quantities involved in the equation can be calibrated using high-frequency data on the best quotes. One of our central findings is that the dynamical process is approximately scale invariant, i.e., the only relevant variable is the ratio of the current volume in the queue to its average value. While the latter shows intraday seasonalities and strong variability across stocks and time periods, the dynamics of the rescaled volumes is universal. In terms of rescaled volumes, we found that the drift has a complex two-dimensional structure, which is a sum of a gradient contribution and a rotational contribution, both stable across stocks and time. This drift term is entirely responsible for the dynamical correlations between the ask queue and the bid queue.

  1. Fokker-Planck description for the queue dynamics of large tick stocks

    NASA Astrophysics Data System (ADS)

    Garèche, A.; Disdier, G.; Kockelkoren, J.; Bouchaud, J.-P.

    2013-09-01

    Motivated by empirical data, we develop a statistical description of the queue dynamics for large tick assets based on a two-dimensional Fokker-Planck (diffusion) equation. Our description explicitly includes state dependence, i.e., the fact that the drift and diffusion depend on the volume present on both sides of the spread. “Jump” events, corresponding to sudden changes of the best limit price, must also be included as birth-death terms in the Fokker-Planck equation. All quantities involved in the equation can be calibrated using high-frequency data on the best quotes. One of our central findings is that the dynamical process is approximately scale invariant, i.e., the only relevant variable is the ratio of the current volume in the queue to its average value. While the latter shows intraday seasonalities and strong variability across stocks and time periods, the dynamics of the rescaled volumes is universal. In terms of rescaled volumes, we found that the drift has a complex two-dimensional structure, which is a sum of a gradient contribution and a rotational contribution, both stable across stocks and time. This drift term is entirely responsible for the dynamical correlations between the ask queue and the bid queue.

  2. An Ab Initio Description of the Excitonic Properties of LH2 and Their Temperature Dependence.

    PubMed

    Cupellini, Lorenzo; Jurinovich, Sandro; Campetella, Marco; Caprasecca, Stefano; Guido, Ciro A; Kelly, Sharon M; Gardiner, Alastair T; Cogdell, Richard; Mennucci, Benedetta

    2016-11-10

    The spectroscopic properties of light-harvesting (LH) antennae in photosyntehtic organisms represent a fingerprint that is unique for each specific pigment-protein complex. Because of that, spectroscopic observations are generally combined with structural data from X-ray crystallography to obtain an indirect representation of the excitonic properties of the system. Here, an alternative strategy is presented which goes beyond this empirical approach and introduces an ab initio computational description of both structural and electronic properties and their dependence on the temperature. The strategy is applied to the peripheral light-harvesting antenna complex (LH2) present in purple bacteria. By comparing this model with the one based on the crystal structure, a detailed, molecular level explanation of the absorption and circular dichroism (CD) spectra and their temperature dependence is achieved. The agreement obtained with the experiments at both low and room temperature lays the groundwork for an atomistic understanding of the excitation dynamics in the LH2 system.

  3. Description and Flight Performance Results of the WASP Sounding Rocket

    NASA Technical Reports Server (NTRS)

    De Pauw, J. F.; Steffens, L. E.; Yuska, J. A.

    1968-01-01

    A general description of the design and construction of the WASP sounding rocket and of the performance of its first flight are presented. The purpose of the flight test was to place the 862-pound (391-kg) spacecraft above 250 000 feet (76.25 km) on free-fall trajectory for at least 6 minutes in order to study the effect of "weightlessness" on a slosh dynamics experiment. The WASP sounding rocket fulfilled its intended mission requirements. The sounding rocket approximately followed a nominal trajectory. The payload was in free fall above 250 000 feet (76.25 km) for 6.5 minutes and reached an apogee altitude of 134 nautical miles (248 km). Flight data including velocity, altitude, acceleration, roll rate, and angle of attack are discussed and compared to nominal performance calculations. The effect of residual burning of the second stage motor is analyzed. The flight vibration environment is presented and analyzed, including root mean square (RMS) and power spectral density analysis.

  4. Spin dynamics of antiferromagnets in the presence of a homogeneous magnetization

    NASA Astrophysics Data System (ADS)

    Kirkpatrick, T. R.; Belitz, D.

    2017-06-01

    We use general hydrodynamic equations to determine the long-wavelength spin excitations in isotropic antiferromagnets in the presence of a homogeneous magnetization. The latter may be induced, such as in antiferromagnets in an external magnetic field, or spontaneous, such as in ferrimagnetic or canted phases that are characterized by the coexistence of antiferromagnetic and ferromagnetic order. Depending on the physical situation, we find propagating spin waves that are gapped in some cases and gapless in others, diffusive modes, or relaxational modes. The excitation spectra turn out to be qualitatively different depending on whether or not the homogeneous magnetization is a conserved quantity. The results lay the foundation for a description of a variety of quantum phase transitions, including the transition from a ferromagnetic metal to an antiferromagnetic one, and the spin-flop transitions that are observed in some antiferromagnets. They also are crucial for incorporating weak localization and Altshuler-Aronov effects into the descriptions of quantum phases in both clean and disordered magnetic metals.

  5. Engaging Students in Advising and General Education Requirements

    ERIC Educational Resources Information Center

    Most, Rachel; Wellmon, Chad

    2015-01-01

    The focus of this essay is to examine how general education requirements and advising are connected in the College of Arts and Sciences at the University of Virginia. To do this, we begin with a brief description and history of general education requirements. We move next to a description of the advising system and general education requirements…

  6. Theories of Simplification and Scaling of Spatially Distributed Processes. Chapter 12

    NASA Technical Reports Server (NTRS)

    Levin, Simon A.; Pacala, Stephen W.

    1997-01-01

    The problem of scaling is at the heart of ecological theory, the essence of understanding and of the development of a predictive capability. The description of any system depends on the spatial, temporal, and organizational perspective chosen; hence it is essential to understand not only how patterns and dynamics vary with scale, but also how patterns at one scale are manifestations of processes operating at other scales. Evolution has shaped the characteristics of species in ways that result in scale displacement: Each species experiences the environment at its own unique set of spatial and temporal scales and interfaces the biota through unique assemblages of phenotypes. In this way, coexistence becomes possible, and biodiversity is enhanced. By averaging over space, time, and biological interactions, a genotype filters variation at fine scales and selects the arena in which it will face the vicissitudes of nature. Variation at finer scales is then noise, of minor importance to the survival and dynamics of the species, and consequently of minor importance in any attempt at description. In attempting to model ecological interactions in space, contributors throughout this book have struggled with a trade-off between simplification and "realistic" complexity and detail. Although the challenge of simplification is widely recognized in ecology, less appreciated is the intertwining of scaling questions and scaling laws with the process of simplification. In the context of this chapter simplification will in general mean the use of spatial or ensemble means and low-order moments to capture more detailed interactions by integrating over given areas. In this way, one can derive descriptions of the system at different spatial scales, which provides the essentials for the extraction of scaling laws by examination of how system properties vary with scale.

  7. Active Vertex Model for cell-resolution description of epithelial tissue mechanics

    PubMed Central

    Barton, Daniel L.; Henkes, Silke

    2017-01-01

    We introduce an Active Vertex Model (AVM) for cell-resolution studies of the mechanics of confluent epithelial tissues consisting of tens of thousands of cells, with a level of detail inaccessible to similar methods. The AVM combines the Vertex Model for confluent epithelial tissues with active matter dynamics. This introduces a natural description of the cell motion and accounts for motion patterns observed on multiple scales. Furthermore, cell contacts are generated dynamically from positions of cell centres. This not only enables efficient numerical implementation, but provides a natural description of the T1 transition events responsible for local tissue rearrangements. The AVM also includes cell alignment, cell-specific mechanical properties, cell growth, division and apoptosis. In addition, the AVM introduces a flexible, dynamically changing boundary of the epithelial sheet allowing for studies of phenomena such as the fingering instability or wound healing. We illustrate these capabilities with a number of case studies. PMID:28665934

  8. Active Vertex Model for cell-resolution description of epithelial tissue mechanics.

    PubMed

    Barton, Daniel L; Henkes, Silke; Weijer, Cornelis J; Sknepnek, Rastko

    2017-06-01

    We introduce an Active Vertex Model (AVM) for cell-resolution studies of the mechanics of confluent epithelial tissues consisting of tens of thousands of cells, with a level of detail inaccessible to similar methods. The AVM combines the Vertex Model for confluent epithelial tissues with active matter dynamics. This introduces a natural description of the cell motion and accounts for motion patterns observed on multiple scales. Furthermore, cell contacts are generated dynamically from positions of cell centres. This not only enables efficient numerical implementation, but provides a natural description of the T1 transition events responsible for local tissue rearrangements. The AVM also includes cell alignment, cell-specific mechanical properties, cell growth, division and apoptosis. In addition, the AVM introduces a flexible, dynamically changing boundary of the epithelial sheet allowing for studies of phenomena such as the fingering instability or wound healing. We illustrate these capabilities with a number of case studies.

  9. Mental states as macrostates emerging from brain electrical dynamics

    NASA Astrophysics Data System (ADS)

    Allefeld, Carsten; Atmanspacher, Harald; Wackermann, Jiří

    2009-03-01

    Psychophysiological correlations form the basis for different medical and scientific disciplines, but the nature of this relation has not yet been fully understood. One conceptual option is to understand the mental as "emerging" from neural processes in the specific sense that psychology and physiology provide two different descriptions of the same system. Stating these descriptions in terms of coarser- and finer-grained system states (macro- and microstates), the two descriptions may be equally adequate if the coarse-graining preserves the possibility to obtain a dynamical rule for the system. To test the empirical viability of our approach, we describe an algorithm to obtain a specific form of such a coarse-graining from data, and illustrate its operation using a simulated dynamical system. We then apply the method to an electroencephalographic recording, where we are able to identify macrostates from the physiological data that correspond to mental states of the subject.

  10. 24 CFR 902.1 - Purpose and general description.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... URBAN DEVELOPMENT PUBLIC HOUSING ASSESSMENT SYSTEM General Provisions § 902.1 Purpose and general description. (a) Purpose. The purpose of the Public Housing Assessment System (PHAS) is to improve the delivery of services in public housing and enhance trust in the public housing system among public housing...

  11. Discovering governing equations from data by sparse identification of nonlinear dynamics

    NASA Astrophysics Data System (ADS)

    Brunton, Steven

    The ability to discover physical laws and governing equations from data is one of humankind's greatest intellectual achievements. A quantitative understanding of dynamic constraints and balances in nature has facilitated rapid development of knowledge and enabled advanced technology, including aircraft, combustion engines, satellites, and electrical power. There are many more critical data-driven problems, such as understanding cognition from neural recordings, inferring patterns in climate, determining stability of financial markets, predicting and suppressing the spread of disease, and controlling turbulence for greener transportation and energy. With abundant data and elusive laws, data-driven discovery of dynamics will continue to play an increasingly important role in these efforts. This work develops a general framework to discover the governing equations underlying a dynamical system simply from data measurements, leveraging advances in sparsity-promoting techniques and machine learning. The resulting models are parsimonious, balancing model complexity with descriptive ability while avoiding overfitting. The only assumption about the structure of the model is that there are only a few important terms that govern the dynamics, so that the equations are sparse in the space of possible functions. This perspective, combining dynamical systems with machine learning and sparse sensing, is explored with the overarching goal of real-time closed-loop feedback control of complex systems. This is joint work with Joshua L. Proctor and J. Nathan Kutz. Video Abstract: https://www.youtube.com/watch?v=gSCa78TIldg

  12. A Global Picture of the Gamma-Ricker Map: A Flexible Discrete-Time Model with Factors of Positive and Negative Density Dependence.

    PubMed

    Liz, Eduardo

    2018-02-01

    The gamma-Ricker model is one of the more flexible and general discrete-time population models. It is defined on the basis of the Ricker model, introducing an additional parameter [Formula: see text]. For some values of this parameter ([Formula: see text], population is overcompensatory, and the introduction of an additional parameter gives more flexibility to fit the stock-recruitment curve to field data. For other parameter values ([Formula: see text]), the gamma-Ricker model represents populations whose per-capita growth rate combines both negative density dependence and positive density dependence. The former can lead to overcompensation and dynamic instability, and the latter can lead to a strong Allee effect. We study the impact of the cooperation factor in the dynamics and provide rigorous conditions under which increasing the Allee effect strength stabilizes or destabilizes population dynamics, promotes or prevents population extinction, and increases or decreases population size. Our theoretical results also include new global stability criteria and a description of the possible bifurcations.

  13. Towards cosmological dynamics from loop quantum gravity

    NASA Astrophysics Data System (ADS)

    Li, Bao-Fei; Singh, Parampreet; Wang, Anzhong

    2018-04-01

    We present a systematic study of the cosmological dynamics resulting from an effective Hamiltonian, recently derived in loop quantum gravity using Thiemann's regularization and earlier obtained in loop quantum cosmology (LQC) by keeping the Lorentzian term explicit in the Hamiltonian constraint. We show that quantum geometric effects result in higher than quadratic corrections in energy density in comparison to LQC, causing a nonsingular bounce. Dynamics can be described by the Hamilton or Friedmann-Raychaudhuri equations, but the map between the two descriptions is not one to one. A careful analysis resolves the tension on symmetric versus asymmetric bounce in this model, showing that the bounce must be asymmetric and symmetric bounce is physically inconsistent, in contrast to the standard LQC. In addition, the current observations only allow a scenario where the prebounce branch is asymptotically de Sitter, similar to a quantization of the Schwarzschild interior in LQC, and the postbounce branch yields the classical general relativity. For a quadratic potential, we find that a slow-roll inflation generically happens after the bounce, which is quite similar to what happens in LQC.

  14. On the accuracy of the LSC-IVR approach for excitation energy transfer in molecular aggregates

    NASA Astrophysics Data System (ADS)

    Teh, Hung-Hsuan; Cheng, Yuan-Chung

    2017-04-01

    We investigate the applicability of the linearized semiclassical initial value representation (LSC-IVR) method to excitation energy transfer (EET) problems in molecular aggregates by simulating the EET dynamics of a dimer model in a wide range of parameter regime and comparing the results to those obtained from a numerically exact method. It is found that the LSC-IVR approach yields accurate population relaxation rates and decoherence rates in a broad parameter regime. However, the classical approximation imposed by the LSC-IVR method does not satisfy the detailed balance condition, generally leading to incorrect equilibrium populations. Based on this observation, we propose a post-processing algorithm to solve the long time equilibrium problem and demonstrate that this long-time correction method successfully removed the deviations from exact results for the LSC-IVR method in all of the regimes studied in this work. Finally, we apply the LSC-IVR method to simulate EET dynamics in the photosynthetic Fenna-Matthews-Olson complex system, demonstrating that the LSC-IVR method with long-time correction provides excellent description of coherent EET dynamics in this typical photosynthetic pigment-protein complex.

  15. On Flexible Tubes Conveying Fluid: Geometric Nonlinear Theory, Stability and Dynamics

    NASA Astrophysics Data System (ADS)

    Gay-Balmaz, François; Putkaradze, Vakhtang

    2015-08-01

    We derive a fully three-dimensional, geometrically exact theory for flexible tubes conveying fluid. The theory also incorporates the change of the cross section available to the fluid motion during the dynamics. Our approach is based on the symmetry-reduced, exact geometric description for elastic rods, coupled with the fluid transport and subject to the volume conservation constraint for the fluid. We first derive the equations of motion directly, by using an Euler-Poincaré variational principle. We then justify this derivation with a more general theory elucidating the interesting mathematical concepts appearing in this problem, such as partial left (elastic) and right (fluid) invariance of the system, with the added holonomic constraint (volume). We analyze the fully nonlinear behavior of the model when the axis of the tube remains straight. We then proceed to the linear stability analysis and show that our theory introduces important corrections to previously derived results, both in the consistency at all wavelength and in the effects arising from the dynamical change of the cross section. Finally, we derive and analyze several analytical, fully nonlinear solutions of traveling wave type in two dimensions.

  16. Generalized receptor law governs phototaxis in the phytoplankton Euglena gracilis

    PubMed Central

    Giometto, Andrea; Altermatt, Florian; Maritan, Amos; Stocker, Roman; Rinaldo, Andrea

    2015-01-01

    Phototaxis, the process through which motile organisms direct their swimming toward or away from light, is implicated in key ecological phenomena (including algal blooms and diel vertical migration) that shape the distribution, diversity, and productivity of phytoplankton and thus energy transfer to higher trophic levels in aquatic ecosystems. Phototaxis also finds important applications in biofuel reactors and microbiopropellers and is argued to serve as a benchmark for the study of biological invasions in heterogeneous environments owing to the ease of generating stochastic light fields. Despite its ecological and technological relevance, an experimentally tested, general theoretical model of phototaxis seems unavailable to date. Here, we present accurate measurements of the behavior of the alga Euglena gracilis when exposed to controlled light fields. Analysis of E. gracilis’ phototactic accumulation dynamics over a broad range of light intensities proves that the classic Keller–Segel mathematical framework for taxis provides an accurate description of both positive and negative phototaxis only when phototactic sensitivity is modeled by a generalized “receptor law,” a specific nonlinear response function to light intensity that drives algae toward beneficial light conditions and away from harmful ones. The proposed phototactic model captures the temporal dynamics of both cells’ accumulation toward light sources and their dispersion upon light cessation. The model could thus be of use in integrating models of vertical phytoplankton migrations in marine and freshwater ecosystems, and in the design of bioreactors. PMID:25964338

  17. The spherical-harmonics representation for the interaction between diatomic molecules: The general case and applications to COsbnd CO and COsbnd HF

    NASA Astrophysics Data System (ADS)

    Barreto, Patricia R. P.; Cruz, Ana Claudia P. S.; Barreto, Rodrigo L. P.; Palazzetti, Federico; Albernaz, Alessandra F.; Lombardi, Andrea; Maciel, Glauciete S.; Aquilanti, Vincenzo

    2017-07-01

    The spherical-harmonics expansion is a mathematically rigorous procedure and a powerful tool for the representation of potential energy surfaces of interacting molecular systems, determining their spectroscopic and dynamical properties, specifically in van der Waals clusters, with applications also to classical and quantum molecular dynamics simulations. The technique consists in the construction (by ab initio or semiempirical methods) of the expanded potential interaction up to terms that provide the generation of a number of leading configurations sufficient to account for faithful geometrical representations. This paper reports the full general description of the method of the spherical-harmonics expansion as applied to diatomic-molecule - diatomic-molecule systems of increasing complexity: the presentation of the mathematical background is given for providing both the application to the prototypical cases considered previously (O2sbnd O2, N2sbnd N2, and N2sbnd O2 systems) and the generalization to: (i) the COsbnd CO system, where a characteristic feature is the lower symmetry order with respect to the cases studied before, requiring a larger number of expansion terms necessary to adequately represent the potential energy surface; and (ii) the COsbnd HF system, which exhibits the lowest order of symmetry among this class of aggregates and therefore the highest number of leading configurations.

  18. Actual Romanian research in post-newtonian dynamics

    NASA Astrophysics Data System (ADS)

    Mioc, V.; Stavinschi, M.

    2007-05-01

    We survey the recent Romanian results in the study of the two-body problem in post-Newtonian fields. Such a field is characterized, in general, by a potential of the form U(q)=|q|^{-1}+ something (small, but not compulsorily). We distinguish some classes of post-Newtonian models: relativistic (Schwarzschild, Fock, Einstein PN, Reissner-Nordström, Schwarzschild - de Sitter, etc.) and nonrelativistic (Manev, Mücket-Treder, Seeliger, gravito-elastic, etc.). Generalized models (the zonal-satellite problem, quasihomogeneous fields), as well as special cases (anisotropic Manev-type and Schwarzschild-type models, Popovici or Popovici-Manev photogravitational problem), were also tackled. The methods used in such studies are various: analytical (using mainly the theory of perturbations, but also other theories: functions of complex variable, variational calculus, etc.), geometric (qualitative approach of the theory of dynamical systems), and numerical (especially using the Poincaré-section technique). The areas of interest and the general results obtained focus on: exact or approximate analytical solutions; characteristics of local flows (especially at limit situations: collision and escape); quasiperiodic and periodic orbits; equilibria; symmetries; chaoticity; geometric description of the global flow (and physical interpretation of the phase-space structure). We emphasize some special features, which cannot be met within the Newtonian framework: black-hole effect, oscillatory collisions, radial librations, bounded orbits for nonnegative energy, existence of unstable circular motion (or unstable rest), symmetric periodic orbits within anisotropic models, etc.

  19. Generalized receptor law governs phototaxis in the phytoplankton Euglena gracilis.

    PubMed

    Giometto, Andrea; Altermatt, Florian; Maritan, Amos; Stocker, Roman; Rinaldo, Andrea

    2015-06-02

    Phototaxis, the process through which motile organisms direct their swimming toward or away from light, is implicated in key ecological phenomena (including algal blooms and diel vertical migration) that shape the distribution, diversity, and productivity of phytoplankton and thus energy transfer to higher trophic levels in aquatic ecosystems. Phototaxis also finds important applications in biofuel reactors and microbiopropellers and is argued to serve as a benchmark for the study of biological invasions in heterogeneous environments owing to the ease of generating stochastic light fields. Despite its ecological and technological relevance, an experimentally tested, general theoretical model of phototaxis seems unavailable to date. Here, we present accurate measurements of the behavior of the alga Euglena gracilis when exposed to controlled light fields. Analysis of E. gracilis' phototactic accumulation dynamics over a broad range of light intensities proves that the classic Keller-Segel mathematical framework for taxis provides an accurate description of both positive and negative phototaxis only when phototactic sensitivity is modeled by a generalized "receptor law," a specific nonlinear response function to light intensity that drives algae toward beneficial light conditions and away from harmful ones. The proposed phototactic model captures the temporal dynamics of both cells' accumulation toward light sources and their dispersion upon light cessation. The model could thus be of use in integrating models of vertical phytoplankton migrations in marine and freshwater ecosystems, and in the design of bioreactors.

  20. Discrete Dynamical Modeling.

    ERIC Educational Resources Information Center

    Sandefur, James T.

    1991-01-01

    Discussed is the process of translating situations involving changing quantities into mathematical relationships. This process, called dynamical modeling, allows students to learn new mathematics while sharpening their algebraic skills. A description of dynamical systems, problem-solving methods, a graphical analysis, and available classroom…

  1. Dynamic mapping of EDDL device descriptions to OPC UA

    NASA Astrophysics Data System (ADS)

    Atta Nsiah, Kofi; Schappacher, Manuel; Sikora, Axel

    2017-07-01

    OPC UA (Open Platform Communications Unified Architecture) is already a well-known concept used widely in the automation industry. In the area of factory automation, OPC UA models the underlying field devices such as sensors and actuators in an OPC UA server to allow connecting OPC UA clients to access device-specific information via a standardized information model. One of the requirements of the OPC UA server to represent field device data using its information model is to have advanced knowledge about the properties of the field devices in the form of device descriptions. The international standard IEC 61804 specifies EDDL (Electronic Device Description Language) as a generic language for describing the properties of field devices. In this paper, the authors describe a possibility to dynamically map and integrate field device descriptions based on EDDL into OPCUA.

  2. Activated aging dynamics and effective trap model description in the random energy model

    NASA Astrophysics Data System (ADS)

    Baity-Jesi, M.; Biroli, G.; Cammarota, C.

    2018-01-01

    We study the out-of-equilibrium aging dynamics of the random energy model (REM) ruled by a single spin-flip Metropolis dynamics. We focus on the dynamical evolution taking place on time-scales diverging with the system size. Our aim is to show to what extent the activated dynamics displayed by the REM can be described in terms of an effective trap model. We identify two time regimes: the first one corresponds to the process of escaping from a basin in the energy landscape and to the subsequent exploration of high energy configurations, whereas the second one corresponds to the evolution from a deep basin to the other. By combining numerical simulations with analytical arguments we show why the trap model description does not hold in the former but becomes exact in the second.

  3. Plot Description (PD)

    Treesearch

    Robert E. Keane

    2006-01-01

    The Plot Description (PD) form is used to describe general characteristics of the FIREMON macroplot to provide ecological context for data analyses. The PD data characterize the topographical setting, geographic reference point, general plant composition and cover, ground cover, fuels, and soils information. This method provides the general ecological data that can be...

  4. The viscosity and temperature dependence of 1H T1-NMRD of the Gd(H 2O) 83+ complex

    NASA Astrophysics Data System (ADS)

    Zhou, Xiangzhi; Westlund, Per-Olof

    2005-11-01

    Water proton T1-NMRD profiles of the Gd(H 2O) 83+ complex have been recorded at three temperatures and at four concentrations of glycerol. The analysis is performed using both the generalized Solomon-Bloembergen-Morgan (GSBM) theory [J. Magn. Reson. 167(2004), 147-160], and the stochastic Liouville approach (SLA). The GSBM approach uses a two processes dynamic model of the zero-field splitting (ZFS) correlation function whereas SLA uses a single process model. Both models reproduce the proton T1-NMRD profiles well. However, the model parameters extracted from the two analyses, yield different ESR X-band spectra which moreover do not reproduce the experimental ESR spectra. It is shown that the analyses of the proton T1-NMRD profiles recorded for a solution Gd(H 2O) 83+ ions are relatively insensitive to the slow modulation part of dynamic model of the ZFS interaction correlation function. The description of the electron spin system results in a very small static ZFS, while recent ESR lineshape analysis indicates that the contribution from the static ZFS is important. Analysis of proton T1-NMRD profiles of Gd(H 2O) 83+ complex do result in a description of the electron spin system but these microscopic parameters are uncertain unless they also are tested in a ESR-lineshape analysis.

  5. Thermal APU/hydraulics analysis program. User's guide and programmer's manual

    NASA Technical Reports Server (NTRS)

    Deluna, T. A.

    1976-01-01

    The User's Guide information plus program description necessary to run and have a general understanding of the Thermal APU/Hydraulics Analysis Program (TAHAP) is described. This information consists of general descriptions of the APU/hydraulic system and the TAHAP model, input and output data descriptions, and specific subroutine requirements. Deck setups and input data formats are included and other necessary and/or helpful information for using TAHAP is given. The math model descriptions for the driver program and each of its supporting subroutines are outlined.

  6. LOGISTIC NETWORK REGRESSION FOR SCALABLE ANALYSIS OF NETWORKS WITH JOINT EDGE/VERTEX DYNAMICS

    PubMed Central

    Almquist, Zack W.; Butts, Carter T.

    2015-01-01

    Change in group size and composition has long been an important area of research in the social sciences. Similarly, interest in interaction dynamics has a long history in sociology and social psychology. However, the effects of endogenous group change on interaction dynamics are a surprisingly understudied area. One way to explore these relationships is through social network models. Network dynamics may be viewed as a process of change in the edge structure of a network, in the vertex set on which edges are defined, or in both simultaneously. Although early studies of such processes were primarily descriptive, recent work on this topic has increasingly turned to formal statistical models. Although showing great promise, many of these modern dynamic models are computationally intensive and scale very poorly in the size of the network under study and/or the number of time points considered. Likewise, currently used models focus on edge dynamics, with little support for endogenously changing vertex sets. Here, the authors show how an existing approach based on logistic network regression can be extended to serve as a highly scalable framework for modeling large networks with dynamic vertex sets. The authors place this approach within a general dynamic exponential family (exponential-family random graph modeling) context, clarifying the assumptions underlying the framework (and providing a clear path for extensions), and they show how model assessment methods for cross-sectional networks can be extended to the dynamic case. Finally, the authors illustrate this approach on a classic data set involving interactions among windsurfers on a California beach. PMID:26120218

  7. LOGISTIC NETWORK REGRESSION FOR SCALABLE ANALYSIS OF NETWORKS WITH JOINT EDGE/VERTEX DYNAMICS.

    PubMed

    Almquist, Zack W; Butts, Carter T

    2014-08-01

    Change in group size and composition has long been an important area of research in the social sciences. Similarly, interest in interaction dynamics has a long history in sociology and social psychology. However, the effects of endogenous group change on interaction dynamics are a surprisingly understudied area. One way to explore these relationships is through social network models. Network dynamics may be viewed as a process of change in the edge structure of a network, in the vertex set on which edges are defined, or in both simultaneously. Although early studies of such processes were primarily descriptive, recent work on this topic has increasingly turned to formal statistical models. Although showing great promise, many of these modern dynamic models are computationally intensive and scale very poorly in the size of the network under study and/or the number of time points considered. Likewise, currently used models focus on edge dynamics, with little support for endogenously changing vertex sets. Here, the authors show how an existing approach based on logistic network regression can be extended to serve as a highly scalable framework for modeling large networks with dynamic vertex sets. The authors place this approach within a general dynamic exponential family (exponential-family random graph modeling) context, clarifying the assumptions underlying the framework (and providing a clear path for extensions), and they show how model assessment methods for cross-sectional networks can be extended to the dynamic case. Finally, the authors illustrate this approach on a classic data set involving interactions among windsurfers on a California beach.

  8. The pdf approach to turbulent polydispersed two-phase flows

    NASA Astrophysics Data System (ADS)

    Minier, Jean-Pierre; Peirano, Eric

    2001-10-01

    The purpose of this paper is to develop a probabilistic approach to turbulent polydispersed two-phase flows. The two-phase flows considered are composed of a continuous phase, which is a turbulent fluid, and a dispersed phase, which represents an ensemble of discrete particles (solid particles, droplets or bubbles). Gathering the difficulties of turbulent flows and of particle motion, the challenge is to work out a general modelling approach that meets three requirements: to treat accurately the physically relevant phenomena, to provide enough information to address issues of complex physics (combustion, polydispersed particle flows, …) and to remain tractable for general non-homogeneous flows. The present probabilistic approach models the statistical dynamics of the system and consists in simulating the joint probability density function (pdf) of a number of fluid and discrete particle properties. A new point is that both the fluid and the particles are included in the pdf description. The derivation of the joint pdf model for the fluid and for the discrete particles is worked out in several steps. The mathematical properties of stochastic processes are first recalled. The various hierarchies of pdf descriptions are detailed and the physical principles that are used in the construction of the models are explained. The Lagrangian one-particle probabilistic description is developed first for the fluid alone, then for the discrete particles and finally for the joint fluid and particle turbulent systems. In the case of the probabilistic description for the fluid alone or for the discrete particles alone, numerical computations are presented and discussed to illustrate how the method works in practice and the kind of information that can be extracted from it. Comments on the current modelling state and propositions for future investigations which try to link the present work with other ideas in physics are made at the end of the paper.

  9. Symmetry in the Generalized Rotor Model for Extremely Floppy Molecules

    NASA Astrophysics Data System (ADS)

    Schmiedt, Hanno; Jensen, Per; Schlemmer, Stephan

    2016-06-01

    Protonated methane CH_5^+ is unique: It is an extremely fluxional molecule. All attempts to assign quantum numbers to the high-resolution transitions obtained over the last 20 years have failed because molecular rotation and vibration cannot be separated in the conventional way. The first step towards a theoretical description is to include internal rotational degrees of freedom into the overall ones, which can be used to formulate a fundamentally new zero order approximation for the (now) generalized rotational states and energies. Predictions from this simple five-dimensional rotor model compare very favorably with the combination differences of protonated methane found in recent low temperature experiments. This talk will focus on symmetry aspects and implications of permutation symmetry for the generalized rotational states. Furthermore, refinements of the theory will be discussed, ranging from the generalization to even higher-dimensional rotors to explicit symmetry breaking and corresponding energy splittings. The latter includes the link to well-known theories of internal rotation dynamics and will show the general validity of the presented theory. Schmiedt, H., et al.; J. Chem. Phys. 143 (15), 154302 (2015) Wodraszka, R. et al.; J. Phys. Chem. Lett. 6, 4229-4232 (2015) Asvany, O. et al.; Science, 347, (6228), 1346-1349 (2015)

  10. Report on architecture description for the INFLO prototype.

    DOT National Transportation Integrated Search

    2014-01-01

    This report documents the Architecture Description for the implementation of the Intelligent Network Flow Optimization (INFLO) Prototype bundle within the Dynamic Mobility Applications (DMA) portion of the Connected Vehicle Program. The intent is to ...

  11. Phase Control in Nonlinear Systems

    NASA Astrophysics Data System (ADS)

    Zambrano, Samuel; Seoane, Jesús M.; Mariño, Inés P.; Sanjuán, Miguel A. F.; Meucci, Riccardo

    The following sections are included: * Introduction * Phase Control of Chaos * Description of the model * Numerical exploration of phase control of chaos * Experimental evidence of phase control of chaos * Phase Control of Intermittency in Dynamical Systems * Crisis-induced intermittency and its control * Experimental setup and implementation of the phase control scheme * Phase control of the laser in the pre-crisis regime * Phase control of the intermittency after the crisis * Phase control of the intermittency in the quadratic map * Phase Control of Escapes in Open Dynamical Systems * Control of open dynamical systems * Model description * Numerical simulations and heuristic arguments * Experimental implementation in an electronic circuit * Conclusions and Discussions * Acknowledgments * References

  12. Complex Quantum Network Manifolds in Dimension d > 2 are Scale-Free

    NASA Astrophysics Data System (ADS)

    Bianconi, Ginestra; Rahmede, Christoph

    2015-09-01

    In quantum gravity, several approaches have been proposed until now for the quantum description of discrete geometries. These theoretical frameworks include loop quantum gravity, causal dynamical triangulations, causal sets, quantum graphity, and energetic spin networks. Most of these approaches describe discrete spaces as homogeneous network manifolds. Here we define Complex Quantum Network Manifolds (CQNM) describing the evolution of quantum network states, and constructed from growing simplicial complexes of dimension . We show that in d = 2 CQNM are homogeneous networks while for d > 2 they are scale-free i.e. they are characterized by large inhomogeneities of degrees like most complex networks. From the self-organized evolution of CQNM quantum statistics emerge spontaneously. Here we define the generalized degrees associated with the -faces of the -dimensional CQNMs, and we show that the statistics of these generalized degrees can either follow Fermi-Dirac, Boltzmann or Bose-Einstein distributions depending on the dimension of the -faces.

  13. 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.

  14. Self-consistent generalized Langevin-equation theory for liquids of nonspherically interacting particles.

    PubMed

    Elizondo-Aguilera, L F; Zubieta Rico, P F; Ruiz-Estrada, H; Alarcón-Waess, O

    2014-11-01

    A self-consistent generalized Langevin-equation theory is proposed to describe the self- and collective dynamics of a liquid of linear Brownian particles. The equations of motion for the spherical harmonics projections of the collective and self-intermediate-scattering functions, F_{lm,lm}(k,t) and F_{lm,lm}^{S}(k,t), are derived as a contraction of the description involving the stochastic equations of the corresponding tensorial one-particle density n_{lm}(k,t) and the translational (α=T) and rotational (α=R) current densities j_{lm}^{α}(k,t). Similar to the spherical case, these dynamic equations require as an external input the equilibrium structural properties of the system contained in the projections of the static structure factor, denoted by S_{lm,lm}(k). Complementing these exact equations with simple (Vineyard-like) approximate relations for the collective and the self-memory functions we propose a closed self-consistent set of equations for the dynamic properties involved. In the long-time asymptotic limit, these equations become the so-called bifurcation equations, whose solutions (the nonergodicity parameters) can be written, extending the spherical case, in terms of one translational and one orientational scalar dynamic order parameter, γ_{T} and γ_{R}, which characterize the possible dynamical arrest transitions of the system. As a concrete illustrative application of this theory we determine the dynamic arrest diagram of the dipolar hard-sphere fluid. In qualitative agreement with mode coupling theory, the present self-consistent equations also predict three different regions in the state space spanned by the macroscopic control parameters η (volume fraction) and T* (scaled temperature): a region of fully ergodic states, a region of mixed states, in which the translational degrees of freedom become arrested while the orientational degrees of freedom remain ergodic, and a region of fully nonergodic states.

  15. 77 FR 22768 - Federal Acquisition Regulation; Information Collection; Freight Classification Description

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-04-17

    ...; Information Collection; Freight Classification Description AGENCIES: Department of Defense (DOD), General... collection requirement concerning freight classification description. Public comments are particularly... Information Collection 9000- 0055, Freight Classification Description, by any of the following methods...

  16. User's manual for Axisymmetric Diffuser Duct (ADD) code. Volume 1: General ADD code description

    NASA Technical Reports Server (NTRS)

    Anderson, O. L.; Hankins, G. B., Jr.; Edwards, D. E.

    1982-01-01

    This User's Manual contains a complete description of the computer codes known as the AXISYMMETRIC DIFFUSER DUCT code or ADD code. It includes a list of references which describe the formulation of the ADD code and comparisons of calculation with experimental flows. The input/output and general use of the code is described in the first volume. The second volume contains a detailed description of the code including the global structure of the code, list of FORTRAN variables, and descriptions of the subroutines. The third volume contains a detailed description of the CODUCT code which generates coordinate systems for arbitrary axisymmetric ducts.

  17. 49 CFR 587.6 - General description.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... Transportation Other Regulations Relating to Transportation (Continued) NATIONAL HIGHWAY TRAFFIC SAFETY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) DEFORMABLE BARRIERS Side Impact Moving Deformable Barrier § 587.6 General description. (a) The moving deformable barrier consists of component parts and...

  18. 49 CFR 587.6 - General description.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 7 2013-10-01 2013-10-01 false General description. 587.6 Section 587.6 Transportation Other Regulations Relating to Transportation (Continued) NATIONAL HIGHWAY TRAFFIC SAFETY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) DEFORMABLE BARRIERS Side Impact Moving Deformable...

  19. 49 CFR 587.6 - General description.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 7 2012-10-01 2012-10-01 false General description. 587.6 Section 587.6 Transportation Other Regulations Relating to Transportation (Continued) NATIONAL HIGHWAY TRAFFIC SAFETY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) DEFORMABLE BARRIERS Side Impact Moving Deformable...

  20. 49 CFR 587.6 - General description.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 7 2014-10-01 2014-10-01 false General description. 587.6 Section 587.6 Transportation Other Regulations Relating to Transportation (Continued) NATIONAL HIGHWAY TRAFFIC SAFETY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) DEFORMABLE BARRIERS Side Impact Moving Deformable...

  1. 49 CFR 587.6 - General description.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 7 2011-10-01 2011-10-01 false General description. 587.6 Section 587.6 Transportation Other Regulations Relating to Transportation (Continued) NATIONAL HIGHWAY TRAFFIC SAFETY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) DEFORMABLE BARRIERS Side Impact Moving Deformable...

  2. 49 CFR 572.131 - General description.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... Female Test Dummy, Alpha Version § 572.131 General description. (a) The Hybrid III fifth percentile adult... Small Adult Female Crash Test Dummy (HIII-5F, Alpha Version) (June 2002) (refer to § 572.130(a)(1)(ix...

  3. 49 CFR 572.131 - General description.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... Female Test Dummy, Alpha Version § 572.131 General description. (a) The Hybrid III fifth percentile adult... Small Adult Female Crash Test Dummy (HIII-5F, Alpha Version) (June 2002) (refer to § 572.130(a)(1)(ix...

  4. 49 CFR 572.131 - General description.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... Female Test Dummy, Alpha Version § 572.131 General description. (a) The Hybrid III fifth percentile adult... Small Adult Female Crash Test Dummy (HIII-5F, Alpha Version) (June 2002) (refer to § 572.130(a)(1)(ix...

  5. 49 CFR 572.121 - General description.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... Dummy, Beta Version § 572.121 General description. (a) The Hybrid III type 6-year-old dummy is defined... specifications package P/N 127-0000, the titles of which are listed in Table A; (2) Procedures for Assembly...

  6. Parsimonious description for predicting high-dimensional dynamics

    PubMed Central

    Hirata, Yoshito; Takeuchi, Tomoya; Horai, Shunsuke; Suzuki, Hideyuki; Aihara, Kazuyuki

    2015-01-01

    When we observe a system, we often cannot observe all its variables and may have some of its limited measurements. Under such a circumstance, delay coordinates, vectors made of successive measurements, are useful to reconstruct the states of the whole system. Although the method of delay coordinates is theoretically supported for high-dimensional dynamical systems, practically there is a limitation because the calculation for higher-dimensional delay coordinates becomes more expensive. Here, we propose a parsimonious description of virtually infinite-dimensional delay coordinates by evaluating their distances with exponentially decaying weights. This description enables us to predict the future values of the measurements faster because we can reuse the calculated distances, and more accurately because the description naturally reduces the bias of the classical delay coordinates toward the stable directions. We demonstrate the proposed method with toy models of the atmosphere and real datasets related to renewable energy. PMID:26510518

  7. Direct evaluation of boson dynamics via finite-temperature time-dependent variation with multiple Davydov states.

    PubMed

    Fujihashi, Yuta; Wang, Lu; Zhao, Yang

    2017-12-21

    Recent advances in quantum optics allow for exploration of boson dynamics in dissipative many-body systems. However, the traditional descriptions of quantum dissipation using reduced density matrices are unable to capture explicit information of bath dynamics. In this work, efficient evaluation of boson dynamics is demonstrated by combining the multiple Davydov Ansatz with finite-temperature time-dependent variation, going beyond what state-of-the-art density matrix approaches are capable to offer for coupled electron-boson systems. To this end, applications are made to excitation energy transfer in photosynthetic systems, singlet fission in organic thin films, and circuit quantum electrodynamics in superconducting devices. Thanks to the multiple Davydov Ansatz, our analysis of boson dynamics leads to clear revelation of boson modes strongly coupled to electronic states, as well as in-depth description of polaron creation and destruction in the presence of thermal fluctuations.

  8. Vakonomic Constraints in Higher-Order Classical Field Theory

    NASA Astrophysics Data System (ADS)

    Campos, Cédric M.

    2010-07-01

    We propose a differential-geometric setting for the dynamics of a higher-order field theory, based on the Skinner and Rusk formalism for mechanics. This approach incorporates aspects of both, the Lagrangian and the Hamiltonian description, since the field equations are formulated using the Lagrangian on a higher-order jet bundle and the canonical multisymplectic form on its affine dual. The result is that we obtain a unique and global intrinsic description of the dynamics. The case of vakonomic constraints is also studied within this formalism.

  9. Exact ghost-free bigravitational waves

    NASA Astrophysics Data System (ADS)

    Ayón-Beato, Eloy; Higuita-Borja, Daniel; Méndez-Zavaleta, Julio A.; Velázquez-Rodríguez, Gerardo

    2018-04-01

    We study the propagation of exact gravitational waves in the ghost-free bimetric theory. Our focus is on type-N spacetimes compatible with the cosmological constants provided by the bigravity interaction potential, and particularly in the single class known by allowing at least a Killing symmetry: the AdS waves. They have the advantage of being represented by a generalized Kerr-Schild transformation from AdS spacetime. This entails a notorious simplification in bigravity by allowing to straightforwardly compute any power of its interaction square root matrix, opening the door to explore physically meaningful exact configurations. For these exact gravitational waves the complex dynamical structure of bigravity decomposes into elementary exact massless or massive excitations propagating on AdS. We use a complexified formulation of the Euler-Darboux equations to provide for the first time the general solutions to the massive version of the Siklos equation which rules the resulting AdS-wave dynamics, using an integral representation originally due to Poisson. Inspired by this progress, we tackle the subtle problem of how matter couples to bigravity and, more concretely, if this occurs through a composite metric, which is hard to handle in a general setting. Surprisingly, the Kerr-Schild ansatz brings again a huge simplification in how the related energy-momentum tensors are calculated. This allows us to explicitly characterize AdS waves supported by either a massless free scalar field or a wavefront-homogeneous Maxwell field. Considering the most general allowed Maxwell source instead is a highly nontrivial task, which we accomplish by again exploiting the complexified Euler-Darboux description and taking advantage of the classical Riemann method. In fact, this eventually allows us to find the most general configurations for any matter source.

  10. Chloride circulation in a lowland catchment and the formulation of transport by travel time distributions

    NASA Astrophysics Data System (ADS)

    Benettin, Paolo; van der Velde, Ype; van der Zee, Sjoerd E. A. T. M.; Rinaldo, Andrea; Botter, Gianluca

    2013-08-01

    Travel times are fundamental catchment descriptors that blend key information about storage, geochemistry, flow pathways and sources of water into a coherent mathematical framework. Here we analyze travel time distributions (TTDs) (and related attributes) estimated on the basis of the extensive hydrochemical information available for the Hupsel Brook lowland catchment in the Netherlands. The relevance of the work is perceived to lie in the general importance of characterizing nonstationary TTDs to capture catchment transport properties, here chloride flux concentrations at the basin outlet. The relative roles of evapotranspiration, water storage dynamics, hydrologic pathways and mass sources/sinks are discussed. Different hydrochemical models are tested and ranked, providing compelling examples of the improved process understanding achieved through coupled calibration of flow and transport processes. The ability of the model to reproduce measured flux concentrations is shown to lie mostly in the description of nonstationarities of TTDs at multiple time scales, including short-term fluctuations induced by soil moisture dynamics in the root zone and long-term seasonal dynamics. Our results prove reliable and suggest, for instance, that drastically reducing fertilization loads for one or more years would not result in significant permanent decreases in average solute concentrations in the Hupsel runoff because of the long memory shown by the system. Through comparison of field and theoretical evidence, our results highlight, unambiguously, the basic transport mechanisms operating in the catchment at hand, with a view to general applications.

  11. Theoretical Basis for Dynamic Label Propagation in Stationary Metabolic Networks under Step and Periodic Inputs

    PubMed Central

    Sokol, Serguei; Portais, Jean-Charles

    2015-01-01

    The dynamics of label propagation in a stationary metabolic network during an isotope labeling experiment can provide highly valuable information on the network topology, metabolic fluxes, and on the size of metabolite pools. However, major issues, both in the experimental set-up and in the accompanying numerical methods currently limit the application of this approach. Here, we propose a method to apply novel types of label inputs, sinusoidal or more generally periodic label inputs, to address both the practical and numerical challenges of dynamic labeling experiments. By considering a simple metabolic system, i.e. a linear, non-reversible pathway of arbitrary length, we develop mathematical descriptions of label propagation for both classical and novel label inputs. Theoretical developments and computer simulations show that the application of rectangular periodic pulses has both numerical and practical advantages over other approaches. We applied the strategy to estimate fluxes in a simulated experiment performed on a complex metabolic network (the central carbon metabolism of Escherichia coli), to further demonstrate its value in conditions which are close to those in real experiments. This study provides a theoretical basis for the rational interpretation of label propagation curves in real experiments, and will help identify the strengths, pitfalls and limitations of such experiments. The cases described here can also be used as test cases for more general numerical methods aimed at identifying network topology, analyzing metabolic fluxes or measuring concentrations of metabolites. PMID:26641860

  12. Coevolutionary dynamics in large, but finite populations

    NASA Astrophysics Data System (ADS)

    Traulsen, Arne; Claussen, Jens Christian; Hauert, Christoph

    2006-07-01

    Coevolving and competing species or game-theoretic strategies exhibit rich and complex dynamics for which a general theoretical framework based on finite populations is still lacking. Recently, an explicit mean-field description in the form of a Fokker-Planck equation was derived for frequency-dependent selection with two strategies in finite populations based on microscopic processes [A. Traulsen, J. C. Claussen, and C. Hauert, Phys. Rev. Lett. 95, 238701 (2005)]. Here we generalize this approach in a twofold way: First, we extend the framework to an arbitrary number of strategies and second, we allow for mutations in the evolutionary process. The deterministic limit of infinite population size of the frequency-dependent Moran process yields the adjusted replicator-mutator equation, which describes the combined effect of selection and mutation. For finite populations, we provide an extension taking random drift into account. In the limit of neutral selection, i.e., whenever the process is determined by random drift and mutations, the stationary strategy distribution is derived. This distribution forms the background for the coevolutionary process. In particular, a critical mutation rate uc is obtained separating two scenarios: above uc the population predominantly consists of a mixture of strategies whereas below uc the population tends to be in homogeneous states. For one of the fundamental problems in evolutionary biology, the evolution of cooperation under Darwinian selection, we demonstrate that the analytical framework provides excellent approximations to individual based simulations even for rather small population sizes. This approach complements simulation results and provides a deeper, systematic understanding of coevolutionary dynamics.

  13. A signal-flow-graph approach to on-line gradient calculation.

    PubMed

    Campolucci, P; Uncini, A; Piazza, F

    2000-08-01

    A large class of nonlinear dynamic adaptive systems such as dynamic recurrent neural networks can be effectively represented by signal flow graphs (SFGs). By this method, complex systems are described as a general connection of many simple components, each of them implementing a simple one-input, one-output transformation, as in an electrical circuit. Even if graph representations are popular in the neural network community, they are often used for qualitative description rather than for rigorous representation and computational purposes. In this article, a method for both on-line and batch-backward gradient computation of a system output or cost function with respect to system parameters is derived by the SFG representation theory and its known properties. The system can be any causal, in general nonlinear and time-variant, dynamic system represented by an SFG, in particular any feedforward, time-delay, or recurrent neural network. In this work, we use discrete-time notation, but the same theory holds for the continuous-time case. The gradient is obtained in a straightforward way by the analysis of two SFGs, the original one and its adjoint (obtained from the first by simple transformations), without the complex chain rule expansions of derivatives usually employed. This method can be used for sensitivity analysis and for learning both off-line and on-line. On-line learning is particularly important since it is required by many real applications, such as digital signal processing, system identification and control, channel equalization, and predistortion.

  14. Longitudinal magnetization dynamics in Heisenberg magnets: Spin Green functions approach (Review Article)

    NASA Astrophysics Data System (ADS)

    Krivoruchko, V. N.

    2017-11-01

    In spite of the fact that dynamical properties of magnets have been extensively studied over the past years, the longitudinal magnetization dynamics is still much less understood than transverse one even in the equilibrium state of a system. In this paper, we give a review of existing, based on quantum-mechanical approach, theoretical descriptions of the longitudinal magnetization dynamics for ferro-, ferri- and antiferromagnetic dielectrics. The aim is to reveal specific features of this type of magnetization vibrations under description a system within the framework of one of the basic model theory of magnetism—the Heisenberg model. Related experimental investigations as well as open questions are also briefly discussed. We hope that understanding of the longitudinal magnetization dynamics distinctive features in the equilibrium state have to be a reference point for a theory uncovering the physical mechanisms that govern ultrafast spin dynamics after femtosecond laser pulse demagnetization when a system is far beyond an equilibrium state.

  15. 49 CFR 587.13 - General description.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... Transportation Other Regulations Relating to Transportation (Continued) NATIONAL HIGHWAY TRAFFIC SAFETY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) DEFORMABLE BARRIERS Offset Deformable Barrier § 587.13 General description. The offset deformable barrier is comprised of two elements: a fixed rigid barrier and...

  16. 49 CFR 572.111 - General description.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 7 2014-10-01 2014-10-01 false General description. 572.111 Section 572.111 Transportation Other Regulations Relating to Transportation (Continued) NATIONAL HIGHWAY TRAFFIC SAFETY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) ANTHROPOMORPHIC TEST DEVICES Side Impact Hybrid Dummy...

  17. 49 CFR 572.111 - General description.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 7 2012-10-01 2012-10-01 false General description. 572.111 Section 572.111 Transportation Other Regulations Relating to Transportation (Continued) NATIONAL HIGHWAY TRAFFIC SAFETY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) ANTHROPOMORPHIC TEST DEVICES Side Impact Hybrid Dummy...

  18. 49 CFR 572.111 - General description.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 7 2013-10-01 2013-10-01 false General description. 572.111 Section 572.111 Transportation Other Regulations Relating to Transportation (Continued) NATIONAL HIGHWAY TRAFFIC SAFETY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) ANTHROPOMORPHIC TEST DEVICES Side Impact Hybrid Dummy...

  19. 49 CFR 572.111 - General description.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 7 2011-10-01 2011-10-01 false General description. 572.111 Section 572.111 Transportation Other Regulations Relating to Transportation (Continued) NATIONAL HIGHWAY TRAFFIC SAFETY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) ANTHROPOMORPHIC TEST DEVICES Side Impact Hybrid Dummy...

  20. On the dynamics of fission of hot nuclei

    NASA Astrophysics Data System (ADS)

    Fröbrich, P.

    2007-05-01

    In this contribution I take the opportunity to address some points which are in my opinion not in a satisfactory state in the dynamical description of fission of hot nuclei. The focus is on relatively light systems where Bohr's hypothesis on the independence of the fusion and subsequent fission processes is valid, but my remarks are also of relevance to attempts to describe the complete fusion-fission process in a unified way, when quasi-fission channels compete in heavier systems and quantal effects may be of increasing importance in particular when considering low temperatures. There is no doubt that the most adequate dynamical description of the fusion-fission process is obtained by solving multi-dimensional Langevin equations to which a Monte Carlo treatment for the evaporation of light (n, p, α, γ) particles is coupled. However, there is less agreement about the input quantities which enter the description. In the review article [P. Fröbrich, I.I. Gontchar, Phys. Rep. 292, 131 (1998)], we deal mainly with an overdamped Langevin dynamics along the fission coordinate which goes over to an appropriately modified statistical model when a stationary regime with respect to the fission mode is reached. The main ingredient is a phenomenological (deformation-dependent, temperature-independent) friction force, which is invented in such a way that it allows a description of a multitude of experimental data in a universal way (i.e. with the same set of parameters). The main success was a systematic simultaneous description of fission or survival probabilities and prescission neutron multiplicities [P. Fröbrich, I.I. Gontchar, N.D. Mavlitov, Nucl. Phys. A 556, 261 (1993)]. This is not possible in any statistical model. The model describes successfully many other data for systems that develop over a completely equilibrated compound nucleus; see Ref. [P. Fröbrich, I.I. Gontchar, Phys. Rep. 292, 131 (1998)] and references therein. It deals with: fission (survival) probabilities prescission neutron multiplicities and spectra prescission charged particle multiplicities and spectra prescission γ-multiplicities and spectra evaporation residue cross sections fission time distributions temperatures at scission fission fragment angular distributions The results above are obtained with the Ito-discretization of the Langevin equation and might lead to some modifications when using the Klimontovich [Yu.L. Klimontovich, Usp. Fiz. Nauk. 37, 737 (1994)] discretization, which is claimed to be more physical [A.E. Gettinger, I.I. Gontchar, J. Phys. G: Nucl. Part. Phys. 26, 347 (2000)]. A satisfactory description of the measured correlation between the kinetic energy distribution and prescission neutron multiplicities could only be obtained when the mass asymmetry degree of freedom is included in the Langevin theory [P.N. Nadtochy, G.D. Adeev, A.V. Karpov, Phys. Rev. C 65, 064615 (2002)], thus generalizing the two-dimensional not overdamped Langevin models of Refs. [G.R. Tillack, R. Reif, A. Schülcke, P. Fröbrich, H.J. Krappe, H.G. Reusch, Phys. Lett. B 296, 296 (1992)] and [T. Wada, Y. Abe, N. Carjan, Phys. Rev. Lett. 70, 3528 (1993)]. A recent article analysing the mass distribution of fission fragments is [E.G. Ryabov, A.V. Karpov, G.D. Adeev, Nucl. Phys. A 765, 39 (2006)]. The first important point I want to stress is that the driving force of a hot system is not simply the negative gradient of the conservative potential but should contain a thermodynamical correction which is not taken into account in a number of publications.

  1. Merging LIDAR digital terrain model with direct observed elevation points for urban flood numerical simulation

    NASA Astrophysics Data System (ADS)

    Arrighi, Chiara; Campo, Lorenzo

    2017-04-01

    In last years, the concern about the economical and lives loss due to urban floods has grown hand in hand with the numerical skills in simulating such events. The large amount of computational power needed in order to address the problem (simulating a flood in a complex terrain such as a medium-large city) is only one of the issues. Among them it is possible to consider the general lack of exhaustive observations during the event (exact extension, dynamic, water level reached in different parts of the involved area), needed for calibration and validation of the model, the need of considering the sewers effects, and the availability of a correct and precise description of the geometry of the problem. In large cities the topographic surveys are in general available with a number of points, but a complete hydraulic simulation needs a detailed description of the terrain on the whole computational domain. LIDAR surveys can achieve this goal, providing a comprehensive description of the terrain, although they often lack precision. In this work an optimal merging of these two sources of geometrical information, measured elevation points and LIDAR survey, is proposed, by taking into account the error variance of both. The procedure is applied to a flood-prone city over an area of 35 square km approximately starting with a DTM from LIDAR with a spatial resolution of 1 m, and 13000 measured points. The spatial pattern of the error (LIDAR vs points) is analysed, and the merging method is tested with a series of Jackknife procedures that take into account different densities of the available points. A discussion of the results is provided.

  2. Scalar-tensor extension of the ΛCDM model

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

    Algoner, W.C.; Velten, H.E.S.; Zimdahl, W., E-mail: w.algoner@cosmo-ufes.org, E-mail: velten@pq.cnpq.br, E-mail: winfried.zimdahl@pq.cnpq.br

    2016-11-01

    We construct a cosmological scalar-tensor-theory model in which the Brans-Dicke type scalar Φ enters the effective (Jordan-frame) Hubble rate as a simple modification of the Hubble rate of the ΛCDM model. This allows us to quantify differences between the background dynamics of scalar-tensor theories and general relativity (GR) in a transparent and observationally testable manner in terms of one single parameter. Problems of the mapping of the scalar-field degrees of freedom on an effective fluid description in a GR context are discused. Data from supernovae, the differential age of old galaxies and baryon acoustic oscillations are shown to strongly limitmore » potential deviations from the standard model.« less

  3. Magnetoresistance in organic semiconductors: Including pair correlations in the kinetic equations for hopping transport

    NASA Astrophysics Data System (ADS)

    Shumilin, A. V.; Kabanov, V. V.; Dediu, V. I.

    2018-03-01

    We derive kinetic equations for polaron hopping in organic materials that explicitly take into account the double occupation possibility and pair intersite correlations. The equations include simplified phenomenological spin dynamics and provide a self-consistent framework for the description of the bipolaron mechanism of the organic magnetoresistance. At low applied voltages, the equations can be reduced to those for an effective resistor network that generalizes the Miller-Abrahams network and includes the effect of spin relaxation on the system resistivity. Our theory discloses the close relationship between the organic magnetoresistance and the intersite correlations. Moreover, in the absence of correlations, as in an ordered system with zero Hubbard energy, the magnetoresistance vanishes.

  4. Aerodynamics of the Viggen 37 aircraft. Part 1: General characteristics at low speed

    NASA Technical Reports Server (NTRS)

    Karling, K.

    1986-01-01

    A description of the aerodynamics of the Viggen 37 and its performances, especially at low speeds is presented. The aerodynamic requirements for the design of the Viggen 37 aircraft are given, including the basic design, performance requirement, and aerodynamic characteristics, static and dynamic load test results and flight test results. The Viggen 37 aircraft is designed to be used for air attack, surveillance, pursuit, and training applications. It is shown that this aircraft is suitable for short runways, and has good maneuvering, acceleration, and climbing characteristics. The design objectives for this aircraft were met by utilizing the effect produced by the interference between two triangular wings, positioned in tandem.

  5. Characterization of Moving Dust Particles

    NASA Technical Reports Server (NTRS)

    Bos, Brent J.; Antonille, Scott R.; Memarsadeghi, Nargess

    2010-01-01

    A large depth-of-field Particle Image Velocimeter (PIV) has been developed at NASA GSFC to characterize dynamic dust environments on planetary surfaces. This instrument detects and senses lofted dust particles. We have been developing an autonomous image analysis algorithm architecture for the PIV instrument to greatly reduce the amount of data that it has to store and downlink. The algorithm analyzes PIV images and reduces the image information down to only the particle measurement data we are interested in receiving on the ground - typically reducing the amount of data to be handled by more than two orders of magnitude. We give a general description of PIV algorithms and describe only the algorithm for estimating the velocity of the traveling particles.

  6. Modeling heat dissipation at the nanoscale: an embedding approach for chemical reaction dynamics on metal surfaces.

    PubMed

    Meyer, Jörg; Reuter, Karsten

    2014-04-25

    We present an embedding technique for metallic systems that makes it possible to model energy dissipation into substrate phonons during surface chemical reactions from first principles. The separation of chemical and elastic contributions to the interaction potential provides a quantitative description of both electronic and phononic band structure. Application to the dissociation of O2 at Pd(100) predicts translationally "hot" oxygen adsorbates as a consequence of the released adsorption energy (ca. 2.6 eV). This finding questions the instant thermalization of reaction enthalpies generally assumed in models of heterogeneous catalysis. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Research and test facilities

    NASA Technical Reports Server (NTRS)

    1993-01-01

    A description is given of each of the following Langley research and test facilities: 0.3-Meter Transonic Cryogenic Tunnel, 7-by 10-Foot High Speed Tunnel, 8-Foot Transonic Pressure Tunnel, 13-Inch Magnetic Suspension & Balance System, 14-by 22-Foot Subsonic Tunnel, 16-Foot Transonic Tunnel, 16-by 24-Inch Water Tunnel, 20-Foot Vertical Spin Tunnel, 30-by 60-Foot Wind Tunnel, Advanced Civil Transport Simulator (ACTS), Advanced Technology Research Laboratory, Aerospace Controls Research Laboratory (ACRL), Aerothermal Loads Complex, Aircraft Landing Dynamics Facility (ALDF), Avionics Integration Research Laboratory, Basic Aerodynamics Research Tunnel (BART), Compact Range Test Facility, Differential Maneuvering Simulator (DMS), Enhanced/Synthetic Vision & Spatial Displays Laboratory, Experimental Test Range (ETR) Flight Research Facility, General Aviation Simulator (GAS), High Intensity Radiated Fields Facility, Human Engineering Methods Laboratory, Hypersonic Facilities Complex, Impact Dynamics Research Facility, Jet Noise Laboratory & Anechoic Jet Facility, Light Alloy Laboratory, Low Frequency Antenna Test Facility, Low Turbulence Pressure Tunnel, Mechanics of Metals Laboratory, National Transonic Facility (NTF), NDE Research Laboratory, Polymers & Composites Laboratory, Pyrotechnic Test Facility, Quiet Flow Facility, Robotics Facilities, Scientific Visualization System, Scramjet Test Complex, Space Materials Research Laboratory, Space Simulation & Environmental Test Complex, Structural Dynamics Research Laboratory, Structural Dynamics Test Beds, Structures & Materials Research Laboratory, Supersonic Low Disturbance Pilot Tunnel, Thermal Acoustic Fatigue Apparatus (TAFA), Transonic Dynamics Tunnel (TDT), Transport Systems Research Vehicle, Unitary Plan Wind Tunnel, and the Visual Motion Simulator (VMS).

  8. Error compensation of single-antenna attitude determination using GNSS for Low-dynamic applications

    NASA Astrophysics Data System (ADS)

    Chen, Wen; Yu, Chao; Cai, Miaomiao

    2017-04-01

    GNSS-based single-antenna pseudo-attitude determination method has attracted more and more attention from the field of high-dynamic navigation due to its low cost, low system complexity, and no temporal accumulated errors. Related researches indicate that this method can be an important complement or even an alternative to the traditional sensors for general accuracy requirement (such as small UAV navigation). The application of single-antenna attitude determining method to low-dynamic carrier has just started. Different from the traditional multi-antenna attitude measurement technique, the pseudo-attitude attitude determination method calculates the rotation angle of the carrier trajectory relative to the earth. Thus it inevitably contains some deviations comparing with the real attitude angle. In low-dynamic application, these deviations are particularly noticeable, which may not be ignored. The causes of the deviations can be roughly classified into three categories, including the measurement error, the offset error, and the lateral error. Empirical correction strategies for the formal two errors have been promoted in previous study, but lack of theoretical support. In this paper, we will provide quantitative description of the three type of errors and discuss the related error compensation methods. Vehicle and shipborne experiments were carried out to verify the feasibility of the proposed correction methods. Keywords: Error compensation; Single-antenna; GNSS; Attitude determination; Low-dynamic

  9. HYTESS 2: A Hypothetical Turbofan Engine Simplified Simulation with multivariable control and sensor analytical redundancy

    NASA Technical Reports Server (NTRS)

    Merrill, W. C.

    1986-01-01

    A hypothetical turbofan engine simplified simulation with a multivariable control and sensor failure detection, isolation, and accommodation logic (HYTESS II) is presented. The digital program, written in FORTRAN, is self-contained, efficient, realistic and easily used. Simulated engine dynamics were developed from linearized operating point models. However, essential nonlinear effects are retained. The simulation is representative of the hypothetical, low bypass ratio turbofan engine with an advanced control and failure detection logic. Included is a description of the engine dynamics, the control algorithm, and the sensor failure detection logic. Details of the simulation including block diagrams, variable descriptions, common block definitions, subroutine descriptions, and input requirements are given. Example simulation results are also presented.

  10. 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.

  11. Dynamical computation of constrained flexible systems using a modal Udwadia-Kalaba formulation: Application to musical instruments.

    PubMed

    Antunes, J; Debut, V

    2017-02-01

    Most musical instruments consist of dynamical subsystems connected at a number of constraining points through which energy flows. For physical sound synthesis, one important difficulty deals with enforcing these coupling constraints. While standard techniques include the use of Lagrange multipliers or penalty methods, in this paper, a different approach is explored, the Udwadia-Kalaba (U-K) formulation, which is rooted on analytical dynamics but avoids the use of Lagrange multipliers. This general and elegant formulation has been nearly exclusively used for conceptual systems of discrete masses or articulated rigid bodies, namely, in robotics. However its natural extension to deal with continuous flexible systems is surprisingly absent from the literature. Here, such a modeling strategy is developed and the potential of combining the U-K equation for constrained systems with the modal description is shown, in particular, to simulate musical instruments. Objectives are twofold: (1) Develop the U-K equation for constrained flexible systems with subsystems modelled through unconstrained modes; and (2) apply this framework to compute string/body coupled dynamics. This example complements previous work [Debut, Antunes, Marques, and Carvalho, Appl. Acoust. 108, 3-18 (2016)] on guitar modeling using penalty methods. Simulations show that the proposed technique provides similar results with a significant improvement in computational efficiency.

  12. Lattice dynamics and metastability of fcc metals in the hcp structure and the crucial role of spin-orbit coupling in platinum

    NASA Astrophysics Data System (ADS)

    Schönecker, Stephan; Li, Xiaoqing; Richter, Manuel; Vitos, Levente

    2018-06-01

    We investigate the lattice dynamical properties of Ni, Cu, Rh, Pd, Ag, Ir, Pt, and Au in the nonequilibrium hcp structure by means of density-functional simulations, wherein spin-orbit coupling (SOC) was considered for Ir, Pt, and Au. The determined dynamical properties reveal that all eight elements possess a metastable hcp phase at zero temperature and pressure. The hcp Ni, Cu, Rh, Pd, and Au previously observed in nanostructures support this finding. We make evident that the inclusion of SOC is mandatory for an accurate description of the phonon dispersion relations and dynamical stability of hcp Pt. The underlying sensitivity of the interatomic force constants is ascribed to a SOC-induced splitting of degenerate band states accompanied by a pronounced reduction of electronic density of states at the Fermi level. To give further insight into the importance of SOC in Pt, we (i) focus on phase stability and examine a lattice transformation related to optical phonons in the hcp phase and (ii) focus on the generalized stacking fault energy (GSFE) of the fcc phase pertinent to crystal plasticity. We show that the intrinsic stable and unstable fault energies of the GSFE scale as in other common fcc metals, provided that the spin-orbit interaction is taken into account.

  13. Extension of Liouville Formalism to Postinstability Dynamics

    NASA Technical Reports Server (NTRS)

    Zak, Michail

    2003-01-01

    A mathematical formalism has been developed for predicting the postinstability motions of a dynamic system governed by a system of nonlinear equations and subject to initial conditions. Previously, there was no general method for prediction and mathematical modeling of postinstability behaviors (e.g., chaos and turbulence) in such a system. The formalism of nonlinear dynamics does not afford means to discriminate between stable and unstable motions: an additional stability analysis is necessary for such discrimination. However, an additional stability analysis does not suggest any modifications of a mathematical model that would enable the model to describe postinstability motions efficiently. The most important type of instability that necessitates a postinstability description is associated with positive Lyapunov exponents. Such an instability leads to exponential growth of small errors in initial conditions or, equivalently, exponential divergence of neighboring trajectories. The development of the present formalism was undertaken in an effort to remove positive Lyapunov exponents. The means chosen to accomplish this is coupling of the governing dynamical equations with the corresponding Liouville equation that describes the evolution of the flow of error probability. The underlying idea is to suppress the divergences of different trajectories that correspond to different initial conditions, without affecting a target trajectory, which is one that starts with prescribed initial conditions.

  14. Self-Consistent Ring Current Modeling with Propagating Electromagnetic Ion Cyclotron Waves in the Presence of Heavy Ions

    NASA Technical Reports Server (NTRS)

    Khazanov, G. V.; Gamayunov, K. V.; Gallagher, D. L.; Kozyra, J. U.; Liemohn, M. W.

    2006-01-01

    The self-consistent treatment of the RC ion dynamics and EMlC waves, which are thought to exert important influences on the ion dynamical evolution, is an important missing element in our understanding of the storm-and recovery-time ring current evolution. Under certain conditions, relativistic electrons, with energies greater than or equal to 1 MeV, can be removed from the outer radiation belt by EMlC wave scattering during a magnetic storm (Summers and Thorne, 2003; Albert, 2003). That is why the modeling of EMlC waves is critical and timely issue in magnetospheric physics. This study will generalize the self-consistent theoretical description of RC ions and EMlC waves that has been developed by Khazanov et al. [2002, 2003] and include the heavy ions and propagation effects of EMlC waves in the global dynamic of self-consistent RC - EMlC waves coupling. The results of our newly developed model that will be presented at Huntsville 2006 meeting, focusing mainly on the dynamic of EMlC waves and comparison of these results with the previous global RC modeling studies devoted to EMlC waves formation. We also discuss RC ion precipitations and wave induced thermal electron fluxes into the ionosphere.

  15. 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.

  16. 20 Years Later: Dynamics of the School-College Partnership

    ERIC Educational Resources Information Center

    Heimann, Revital

    2015-01-01

    This descriptive study examined the dynamics of partnership over time between a training school and a college of education. Its purpose was to provide a deeper understanding of the dynamics of collaboration within the context of the partnership between the school and the college. The dynamics of the changes occurring in this collaboration over a…

  17. 49 CFR 572.5 - General description.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 7 2011-10-01 2011-10-01 false General description. 572.5 Section 572.5 Transportation Other Regulations Relating to Transportation (Continued) NATIONAL HIGHWAY TRAFFIC SAFETY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) ANTHROPOMORPHIC TEST DEVICES 50th Percentile Male § 572...

  18. Relativistic viscoelastic fluid mechanics.

    PubMed

    Fukuma, Masafumi; Sakatani, Yuho

    2011-08-01

    A detailed study is carried out for the relativistic theory of viscoelasticity which was recently constructed on the basis of Onsager's linear nonequilibrium thermodynamics. After rederiving the theory using a local argument with the entropy current, we show that this theory universally reduces to the standard relativistic Navier-Stokes fluid mechanics in the long time limit. Since effects of elasticity are taken into account, the dynamics at short time scales is modified from that given by the Navier-Stokes equations, so that acausal problems intrinsic to relativistic Navier-Stokes fluids are significantly remedied. We in particular show that the wave equations for the propagation of disturbance around a hydrostatic equilibrium in Minkowski space-time become symmetric hyperbolic for some range of parameters, so that the model is free of acausality problems. This observation suggests that the relativistic viscoelastic model with such parameters can be regarded as a causal completion of relativistic Navier-Stokes fluid mechanics. By adjusting parameters to various values, this theory can treat a wide variety of materials including elastic materials, Maxwell materials, Kelvin-Voigt materials, and (a nonlinearly generalized version of) simplified Israel-Stewart fluids, and thus we expect the theory to be the most universal description of single-component relativistic continuum materials. We also show that the presence of strains and the corresponding change in temperature are naturally unified through the Tolman law in a generally covariant description of continuum mechanics.

  19. More normal than not: a qualitative assessment of the developmental experiences of gay male youth.

    PubMed

    Eccles, Thomas A; Sayegh, M A; Fortenberry, J D; Zimet, G D

    2004-11-01

    To examine gay youth experiences within the context of normal adolescent development. Thematic analyses of interviews with 13 self-identified gay male youth, aged 16-22 years, each reporting minimal sexual identity distress, were completed. Interviews focused on: (a) descriptions of developmental changes perceived to occur for all adolescents, (b) descriptions of the participants' developmental experience, and (c) participants' direct comparisons of their perceptions of gay and nongay developmental experience. Data were analyzed by two investigators who, after initial review of the interview transcripts, developed a unified coding template to permit systematic analysis of the transcripts for recurrent themes. (a) Few (2 of 13) participants reported overall developmental experience markedly different from nongay peers. (b) Peer interaction was seen as the domain most different from that of nongay peers. (c) Open gay self-identification altered, generally positively, all peer interaction. (d) Increased peer interaction enhanced maturity in other domains. (e) Family dynamics were not substantively altered by open gay self-identification. (f) Middle and high school were identified as relatively hostile environments in which to openly identify as gay, affecting the timing and the extent of self-disclosure. (g) Developmental progress showed asynchrony across developmental domains. General developmental dysfunction is not inevitable for gay adolescents, nor is identifiable personal or family pathology directly related to sexual identity.

  20. Relativistic viscoelastic fluid mechanics

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

    Fukuma, Masafumi; Sakatani, Yuho

    2011-08-15

    A detailed study is carried out for the relativistic theory of viscoelasticity which was recently constructed on the basis of Onsager's linear nonequilibrium thermodynamics. After rederiving the theory using a local argument with the entropy current, we show that this theory universally reduces to the standard relativistic Navier-Stokes fluid mechanics in the long time limit. Since effects of elasticity are taken into account, the dynamics at short time scales is modified from that given by the Navier-Stokes equations, so that acausal problems intrinsic to relativistic Navier-Stokes fluids are significantly remedied. We in particular show that the wave equations for themore » propagation of disturbance around a hydrostatic equilibrium in Minkowski space-time become symmetric hyperbolic for some range of parameters, so that the model is free of acausality problems. This observation suggests that the relativistic viscoelastic model with such parameters can be regarded as a causal completion of relativistic Navier-Stokes fluid mechanics. By adjusting parameters to various values, this theory can treat a wide variety of materials including elastic materials, Maxwell materials, Kelvin-Voigt materials, and (a nonlinearly generalized version of) simplified Israel-Stewart fluids, and thus we expect the theory to be the most universal description of single-component relativistic continuum materials. We also show that the presence of strains and the corresponding change in temperature are naturally unified through the Tolman law in a generally covariant description of continuum mechanics.« less

  1. Generalized thermalization for integrable system under quantum quench.

    PubMed

    Muralidharan, Sushruth; Lochan, Kinjalk; Shankaranarayanan, S

    2018-01-01

    We investigate equilibration and generalized thermalization of the quantum Harmonic chain under local quantum quench. The quench action we consider is connecting two disjoint harmonic chains of different sizes and the system jumps between two integrable settings. We verify the validity of the generalized Gibbs ensemble description for this infinite-dimensional Hilbert space system and also identify equilibration between the subsystems as in classical systems. Using Bogoliubov transformations, we show that the eigenstates of the system prior to the quench evolve toward the Gibbs Generalized Ensemble description. Eigenstates that are more delocalized (in the sense of inverse participation ratio) prior to the quench, tend to equilibrate more rapidly. Further, through the phase space properties of a generalized Gibbs ensemble and the strength of stimulated emission, we identify the necessary criterion on the initial states for such relaxation at late times and also find out the states that would potentially not be described by the generalized Gibbs ensemble description.

  2. The slow-scale linear noise approximation: an accurate, reduced stochastic description of biochemical networks under timescale separation conditions

    PubMed Central

    2012-01-01

    Background It is well known that the deterministic dynamics of biochemical reaction networks can be more easily studied if timescale separation conditions are invoked (the quasi-steady-state assumption). In this case the deterministic dynamics of a large network of elementary reactions are well described by the dynamics of a smaller network of effective reactions. Each of the latter represents a group of elementary reactions in the large network and has associated with it an effective macroscopic rate law. A popular method to achieve model reduction in the presence of intrinsic noise consists of using the effective macroscopic rate laws to heuristically deduce effective probabilities for the effective reactions which then enables simulation via the stochastic simulation algorithm (SSA). The validity of this heuristic SSA method is a priori doubtful because the reaction probabilities for the SSA have only been rigorously derived from microscopic physics arguments for elementary reactions. Results We here obtain, by rigorous means and in closed-form, a reduced linear Langevin equation description of the stochastic dynamics of monostable biochemical networks in conditions characterized by small intrinsic noise and timescale separation. The slow-scale linear noise approximation (ssLNA), as the new method is called, is used to calculate the intrinsic noise statistics of enzyme and gene networks. The results agree very well with SSA simulations of the non-reduced network of elementary reactions. In contrast the conventional heuristic SSA is shown to overestimate the size of noise for Michaelis-Menten kinetics, considerably under-estimate the size of noise for Hill-type kinetics and in some cases even miss the prediction of noise-induced oscillations. Conclusions A new general method, the ssLNA, is derived and shown to correctly describe the statistics of intrinsic noise about the macroscopic concentrations under timescale separation conditions. The ssLNA provides a simple and accurate means of performing stochastic model reduction and hence it is expected to be of widespread utility in studying the dynamics of large noisy reaction networks, as is common in computational and systems biology. PMID:22583770

  3. Flight, Wind-Tunnel, and Computational Fluid Dynamics Comparison for Cranked Arrow Wing (F-16XL-1) at Subsonic and Transonic Speeds

    NASA Technical Reports Server (NTRS)

    Lamar, John E.; Obara, Clifford J.; Fisher, Bruce D.; Fisher, David F.

    2001-01-01

    Geometrical, flight, computational fluid dynamics (CFD), and wind-tunnel studies for the F-16XL-1 airplane are summarized over a wide range of test conditions. Details are as follows: (1) For geometry, the upper surface of the airplane and the numerical surface description compare reasonably well. (2) For flight, CFD, and wind-tunnel surface pressures, the comparisons are generally good at low angles of attack at both subsonic and transonic speeds, however, local differences are present. In addition, the shock location at transonic speeds from wind-tunnel pressure contours is near the aileron hinge line and generally is in correlative agreement with flight results. (3) For boundary layers, flight profiles were predicted reasonably well for attached flow and underneath the primary vortex but not for the secondary vortex. Flight data indicate the presence of an interaction of the secondary vortex system and the boundary layer and the boundary-layer measurements show the secondary vortex located more outboard than predicted. (4) Predicted and measured skin friction distributions showed qualitative agreement for a two vortex system. (5) Web-based data-extraction and computational-graphical tools have proven useful in expediting the preceding comparisons. (6) Data fusion has produced insightful results for a variety of visualization-based data sets.

  4. Rotorcraft control system design for uncertain vehicle dynamics using quantitative feedback theory

    NASA Technical Reports Server (NTRS)

    Hess, R. A.

    1994-01-01

    Quantitative Feedback Theory describes a frequency-domain technique for the design of multi-input, multi-output control systems which must meet time or frequency domain performance criteria when specified uncertainty exists in the linear description of the vehicle dynamics. This theory is applied to the design of the longitudinal flight control system for a linear model of the BO-105C rotorcraft. Uncertainty in the vehicle model is due to the variation in the vehicle dynamics over a range of airspeeds from 0-100 kts. For purposes of exposition, the vehicle description contains no rotor or actuator dynamics. The design example indicates the manner in which significant uncertainty exists in the vehicle model. The advantage of using a sequential loop closure technique to reduce the cost of feedback is demonstrated by example.

  5. Sandia National Laboratories environmental fluid dynamics code. Marine Hydrokinetic Module User's Manual

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

    James, Scott Carlton; Roberts, Jesse D.

    2014-03-01

    This document describes the marine hydrokinetic (MHK) input file and subroutines for the Sandia National Laboratories Environmental Fluid Dynamics Code (SNL-EFDC), which is a combined hydrodynamic, sediment transport, and water quality model based on the Environmental Fluid Dynamics Code (EFDC) developed by John Hamrick [1], formerly sponsored by the U.S. Environmental Protection Agency, and now maintained by Tetra Tech, Inc. SNL-EFDC has been previously enhanced with the incorporation of the SEDZLJ sediment dynamics model developed by Ziegler, Lick, and Jones [2-4]. SNL-EFDC has also been upgraded to more accurately simulate algae growth with specific application to optimizing biomass in anmore » open-channel raceway for biofuels production [5]. A detailed description of the input file containing data describing the MHK device/array is provided, along with a description of the MHK FORTRAN routine. Both a theoretical description of the MHK dynamics as incorporated into SNL-EFDC and an explanation of the source code are provided. This user manual is meant to be used in conjunction with the original EFDC [6] and sediment dynamics SNL-EFDC manuals [7]. Through this document, the authors provide information for users who wish to model the effects of an MHK device (or array of devices) on a flow system with EFDC and who also seek a clear understanding of the source code, which is available from staff in the Water Power Technologies Department at Sandia National Laboratories, Albuquerque, New Mexico.« less

  6. User's manual for generalized ILSGLD-ILS glide slope performance prediction : multipath scattering

    DOT National Transportation Integrated Search

    1976-11-01

    This manual presents the computer program package for the generalized ILSGLD scattering model. The text includes a complete description of the program itself as well as 3 brief descriptions : of the ILS system and antenna patterns. The program listin...

  7. 49 CFR 572.71 - General description.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) ANTHROPOMORPHIC TEST DEVICES 6-Year-Old Child § 572.71 General description. (a) The representative 6-year-old dummy consists of a drawings and specifications package that contains the following materials: (1) Technical drawings, specifications, and the parts list...

  8. 48 CFR 1532.102 - Description of contract financing methods.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... financing methods. 1532.102 Section 1532.102 Federal Acquisition Regulations System ENVIRONMENTAL PROTECTION AGENCY GENERAL CONTRACTING REQUIREMENTS CONTRACT FINANCING General 1532.102 Description of contract financing methods. Progress payments based on a percentage or stage of completion are authorized for use as...

  9. On the Relativistic Correction of Particles Trajectory in Tandem Type Electrostatic Accelerator

    NASA Astrophysics Data System (ADS)

    Minárik, Stanislav

    2015-08-01

    A constant potential is applied to the acceleration of the ion-beam in the tandem type electrostatic accelerator. However, not just one voltage is applied, but instead a number of applications can be made in succession by means of the tandem arrangement of high voltage tubes. This number of voltage applications, which is the number of so-called "stages" of a tandem accelerator, may be two, three, or four, depending on the chosen design. Electrostatic field with approximately constant intensity acts on ions in any stage. In general, non-relativistic dynamics is used for the description of the ion transport in tandem accelerator. Energies of accelerated ions are too low and relativistic effects cannot be commonly observed by standard experimental technique. Estimation of possible relativistic correction of ion trajectories is therefore only a matter of calculation. In this note, we briefly present such calculation. Our aim is to show how using the relativistic dynamics modifies the particles trajectory in tandem type accelerator and what parameters determine this modification.

  10. Suppression of Ostwald Ripening by Chemical Reactions

    NASA Astrophysics Data System (ADS)

    Zwicker, David; Hyman, Anthony A.; Jülicher, Frank

    2015-03-01

    Emulsions consisting of droplets immersed in a fluid are typically unstable and coarsen over time. One important coarsening process is Ostwald ripening, which is driven by the surface tension of the droplets. Ostwald ripening must thus be suppressed to stabilize emulsions, e.g. to control the properties of pharmaceuticals, food, or cosmetics. Suppression of Ostwald ripening is also important in biological cells, which contain stable liquid-like compartments, e.g. germ granules, Cajal-bodies, and centrosomes. Such systems are often driven away from equilibrium by chemical reactions and can thus be called active emulsions. Here, we show that non-equilibrium chemical reactions can suppress Ostwald Ripening, leading to stable, monodisperse emulsions. We derive analytical approximations of the typical droplet size, droplet count, and time scale of the dynamics from a coarse-grained description of the droplet dynamics. We also compare these results to numerical simulations of the continuous concentration fields. Generally, we thus show how chemical reactions can be used to stabilize emulsions and to control their properties in technology and nature.

  11. Front dynamics and entanglement in the XXZ chain with a gradient

    NASA Astrophysics Data System (ADS)

    Eisler, Viktor; Bauernfeind, Daniel

    2017-11-01

    We consider the XXZ spin chain with a magnetic field gradient and study the profiles of the magnetization as well as the entanglement entropy. For a slowly varying field, it is shown that, by means of a local density approximation, the ground-state magnetization profile can be obtained with standard Bethe ansatz techniques. Furthermore, it is argued that the low-energy description of the theory is given by a Luttinger liquid with slowly varying parameters. This allows us to obtain a very good approximation of the entanglement profile using a recently introduced technique of conformal field theory in curved spacetime. Finally, the front dynamics is also studied after the gradient field has been switched off, following arguments of generalized hydrodynamics for integrable systems. While for the XX chain the hydrodynamic solution can be found analytically, the XXZ case appears to be more complicated and the magnetization profiles are recovered only around the edge of the front via an approximate numerical solution.

  12. Collective coordinates theory for discrete soliton ratchets in the sine-Gordon model

    NASA Astrophysics Data System (ADS)

    Sánchez-Rey, Bernardo; Quintero, Niurka R.; Cuevas-Maraver, Jesús; Alejo, Miguel A.

    2014-10-01

    A collective coordinate theory is developed for soliton ratchets in the damped discrete sine-Gordon model driven by a biharmonic force. An ansatz with two collective coordinates, namely the center and the width of the soliton, is assumed as an approximated solution of the discrete nonlinear equation. The dynamical equations of these two collective coordinates, obtained by means of the generalized travelling wave method, explain the mechanism underlying the soliton ratchet and capture qualitatively all the main features of this phenomenon. The numerical simulation of these equations accounts for the existence of a nonzero depinning threshold, the nonsinusoidal behavior of the average velocity as a function of the relative phase between the harmonics of the driver, the nonmonotonic dependence of the average velocity on the damping, and the existence of nontransporting regimes beyond the depinning threshold. In particular, it provides a good description of the intriguing and complex pattern of subspaces corresponding to different dynamical regimes in parameter space.

  13. Collective coordinates theory for discrete soliton ratchets in the sine-Gordon model.

    PubMed

    Sánchez-Rey, Bernardo; Quintero, Niurka R; Cuevas-Maraver, Jesús; Alejo, Miguel A

    2014-10-01

    A collective coordinate theory is developed for soliton ratchets in the damped discrete sine-Gordon model driven by a biharmonic force. An ansatz with two collective coordinates, namely the center and the width of the soliton, is assumed as an approximated solution of the discrete nonlinear equation. The dynamical equations of these two collective coordinates, obtained by means of the generalized travelling wave method, explain the mechanism underlying the soliton ratchet and capture qualitatively all the main features of this phenomenon. The numerical simulation of these equations accounts for the existence of a nonzero depinning threshold, the nonsinusoidal behavior of the average velocity as a function of the relative phase between the harmonics of the driver, the nonmonotonic dependence of the average velocity on the damping, and the existence of nontransporting regimes beyond the depinning threshold. In particular, it provides a good description of the intriguing and complex pattern of subspaces corresponding to different dynamical regimes in parameter space.

  14. Interaction and dynamics of ionic liquids based on choline and amino acid anions

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

    Campetella, M.; Bodo, E., E-mail: enrico.bodo@uniroma1.it; Caminiti, R., E-mail: ruggero.caminiti@uniroma1.it

    2015-06-21

    The combination of amino acid anions with the choline cation gives origin to a new and potentially important class of organic ionic liquids that might represent a viable and bio-compatible alternative with respect to the traditional ones. We present here a detailed study of the bulk phase of the prototype system composed of the simplest amino acid (alanine) anion and the choline cation, based on ab initio and classical molecular dynamics. Theoretical findings have been validated by comparing with accurate experimental X-ray diffraction data and infrared spectra. We find that hydrogen bonding (HB) features in these systems are crucial inmore » establishing their local geometric structure. We have also found that these HBs once formed are persistent and that the proton resides exclusively on the choline cation. In addition, we show that a classical force field description for this particular ionic liquid can be accurately performed by using a slightly modified version of the generalized AMBER force field.« less

  15. Interaction and dynamics of ionic liquids based on choline and amino acid anions

    NASA Astrophysics Data System (ADS)

    Campetella, M.; Bodo, E.; Caminiti, R.; Martino, A.; D'Apuzzo, F.; Lupi, S.; Gontrani, L.

    2015-06-01

    The combination of amino acid anions with the choline cation gives origin to a new and potentially important class of organic ionic liquids that might represent a viable and bio-compatible alternative with respect to the traditional ones. We present here a detailed study of the bulk phase of the prototype system composed of the simplest amino acid (alanine) anion and the choline cation, based on ab initio and classical molecular dynamics. Theoretical findings have been validated by comparing with accurate experimental X-ray diffraction data and infrared spectra. We find that hydrogen bonding (HB) features in these systems are crucial in establishing their local geometric structure. We have also found that these HBs once formed are persistent and that the proton resides exclusively on the choline cation. In addition, we show that a classical force field description for this particular ionic liquid can be accurately performed by using a slightly modified version of the generalized AMBER force field.

  16. Theory of interaction-induced renormalization of Drude weight and plasmon frequency in chiral multilayer graphene

    NASA Astrophysics Data System (ADS)

    Li, Xiao; Tse, Wang-Kong

    2017-02-01

    We develop a theory for the optical conductivity of doped ABC-stacked multilayer graphene including the effects of electron-electron interactions. Applying the quantum kinetic formalism, we formulate a set of pseudospin Bloch equations that govern the dynamics of the nonequilibrium density matrix driven by an external ac electric field under the influence of Coulomb interactions. These equations reveal a dynamical mechanism that couples the Drude and interband responses arising from the chirality of pseudospin textures in multilayer graphene systems. We demonstrate that this results in an interaction-induced enhancement of the Drude weight and plasmon frequency strongly dependent on the pseudospin winding number. Using bilayer graphene as an example, we also study the influence of higher-energy bands and find that they contribute considerable renormalization effects not captured by a low-energy two-band description. We argue that this enhancement of Drude weight and plasmon frequency occurs generally in materials characterized by electronic chirality.

  17. Asymptotic dynamics of the exceptional Bianchi cosmologies

    NASA Astrophysics Data System (ADS)

    Hewitt, C. G.; Horwood, J. T.; Wainwright, J.

    2003-05-01

    In this paper we give, for the first time, a qualitative description of the asymptotic dynamics of a class of non-tilted spatially homogeneous (SH) cosmologies, the so-called exceptional Bianchi cosmologies, which are of Bianchi type VI$_{-1/9}$. This class is of interest for two reasons. Firstly, it is generic within the class of non-tilted SH cosmologies, being of the same generality as the models of Bianchi types VIII and IX. Secondly, it is the SH limit of a generic class of spatially inhomogeneous $G_{2}$ cosmologies. Using the orthonormal frame formalism and Hubble-normalized variables, we show that the exceptional Bianchi cosmologies differ from the non-exceptional Bianchi cosmologies of type VI$_{h}$ in two significant ways. Firstly, the models exhibit an oscillatory approach to the initial singularity and hence are not asymptotically self-similar. Secondly, at late times, although the models are asymptotically self-similar, the future attractor for the vacuum-dominated models is the so-called Robinson-Trautman SH model instead of the vacuum SH plane wave models.

  18. Diffusion Coefficients from Molecular Dynamics Simulations in Binary and Ternary Mixtures

    NASA Astrophysics Data System (ADS)

    Liu, Xin; Schnell, Sondre K.; Simon, Jean-Marc; Krüger, Peter; Bedeaux, Dick; Kjelstrup, Signe; Bardow, André; Vlugt, Thijs J. H.

    2013-07-01

    Multicomponent diffusion in liquids is ubiquitous in (bio)chemical processes. It has gained considerable and increasing interest as it is often the rate limiting step in a process. In this paper, we review methods for calculating diffusion coefficients from molecular simulation and predictive engineering models. The main achievements of our research during the past years can be summarized as follows: (1) we introduced a consistent method for computing Fick diffusion coefficients using equilibrium molecular dynamics simulations; (2) we developed a multicomponent Darken equation for the description of the concentration dependence of Maxwell-Stefan diffusivities. In the case of infinite dilution, the multicomponent Darken equation provides an expression for [InlineEquation not available: see fulltext.] which can be used to parametrize the generalized Vignes equation; and (3) a predictive model for self-diffusivities was proposed for the parametrization of the multicomponent Darken equation. This equation accurately describes the concentration dependence of self-diffusivities in weakly associating systems. With these methods, a sound framework for the prediction of mutual diffusion in liquids is achieved.

  19. Stability analysis of confined V-shaped flames in high-velocity streams.

    PubMed

    El-Rabii, Hazem; Joulin, Guy; Kazakov, Kirill A

    2010-06-01

    The problem of linear stability of confined V-shaped flames with arbitrary gas expansion is addressed. Using the on-shell description of flame dynamics, a general equation governing propagation of disturbances of an anchored flame is obtained. This equation is solved analytically for V-flames anchored in high-velocity channel streams. It is demonstrated that dynamics of the flame disturbances in this case is controlled by the memory effects associated with vorticity generated by the perturbed flame. The perturbation growth rate spectrum is determined, and explicit analytical expressions for the eigenfunctions are given. It is found that the piecewise linear V structure is unstable for all values of the gas expansion coefficient. Despite the linearity of the basic pattern, however, evolutions of the V-flame disturbances are completely different from those found for freely propagating planar flames or open anchored flames. The obtained results reveal strong influence of the basic flow and the channel walls on the stability properties of confined V-flames.

  20. Self-propelled Brownian spinning top: dynamics of a biaxial swimmer at low Reynolds numbers.

    PubMed

    Wittkowski, Raphael; Löwen, Hartmut

    2012-02-01

    Recently the Brownian dynamics of self-propelled (active) rodlike particles was explored to model the motion of colloidal microswimmers, catalytically driven nanorods, and bacteria. Here we generalize this description to biaxial particles with arbitrary shape and derive the corresponding Langevin equation for a self-propelled Brownian spinning top. The biaxial swimmer is exposed to a hydrodynamic Stokes friction force at low Reynolds numbers, to fluctuating random forces and torques as well as to an external and an internal (effective) force and torque. The latter quantities control its self-propulsion. Due to biaxiality and hydrodynamic translational-rotational coupling, the Langevin equation can only be solved numerically. In the special case of an orthotropic particle in the absence of external forces and torques, the noise-free (zero-temperature) trajectory is analytically found to be a circular helix. This trajectory is confirmed numerically to be more complex in the general case of an arbitrarily shaped particle under the influence of arbitrary forces and torques involving a transient irregular motion before ending up in a simple periodic motion. By contrast, if the external force vanishes, no transient regime is found, and the particle moves on a superhelical trajectory. For orthotropic particles, the noise-averaged trajectory is a generalized concho-spiral. We furthermore study the reduction of the model to two spatial dimensions and classify the noise-free trajectories completely finding circles, straight lines with and without transients, as well as cycloids and arbitrary periodic trajectories. © 2012 American Physical Society

  1. Nonintrusive dynamic flowmeter

    NASA Technical Reports Server (NTRS)

    Pedersen, N. E.; Lynnworth, L. C.

    1973-01-01

    Description of some of the design and performance characteristics of an ultrasonic dynamic flowmeter which combines nonintrusiveness, fast response, high accuracy, and high resolution and is intended for use with cryogenic liquids and water. The flowmeter measures to 1% accuracy the dynamic as well as the steady flow velocity averaged over the pipe area.

  2. 77 FR 45611 - Federal Acquisition Regulation; Submission for OMB Review; Freight Classification Description

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-08-01

    ...; Submission for OMB Review; Freight Classification Description AGENCIES: Department of Defense (DOD), General... collection requirement concerning freight classification description. A notice was published in the Federal... Information Collection 9000- 0055, Freight Classification Description, by any of the following methods...

  3. The Effective-One-Body Approach to the General Relativistic Two Body Problem

    NASA Astrophysics Data System (ADS)

    Damour, Thibault; Nagar, Alessandro

    The two-body problem in General Relativity has been the subject of many analytical investigations. After reviewing some of the methods used to tackle this problem (and, more generally, the N-body problem), we focus on a new, recently introduced approach to the motion and radiation of (comparable mass) binary systems: the Effective One Body (EOB) formalism. We review the basic elements of this formalism, and discuss some of its recent developments. Several recent comparisons between EOB predictions and Numerical Relativity (NR) simulations have shown the aptitude of the EOB formalism to provide accurate descriptions of the dynamics and radiation of various binary systems (comprising black holes or neutron stars) in regimes that are inaccessible to other analytical approaches (such as the last orbits and the merger of comparable mass black holes). In synergy with NR simulations, post-Newtonian (PN) theory and Gravitational Self-Force (GSF) computations, the EOB formalism is likely to provide an efficient way of computing the very many accurate template waveforms that are needed for Gravitational Wave (GW) data analysis purposes.

  4. 42 CFR 412.70 - General description.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 42 Public Health 2 2010-10-01 2010-10-01 false General description. 412.70 Section 412.70 Public Health CENTERS FOR MEDICARE & MEDICAID SERVICES, DEPARTMENT OF HEALTH AND HUMAN SERVICES MEDICARE PROGRAM PROSPECTIVE PAYMENT SYSTEMS FOR INPATIENT HOSPITAL SERVICES Determination of Transition Period Payment Rates...

  5. 49 CFR 572.31 - General description.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ..., titled “Sign Convention for Vehicle Crash Testing”, dated 1994-12. (6) Exterior dimensions of the Hybrid... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) ANTHROPOMORPHIC TEST DEVICES Hybrid III Test Dummy § 572.31 General description. (a) The Hybrid III 50th percentile size dummy consists of components and...

  6. 1 CFR 20.4 - Description of program activities.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 1 General Provisions 1 2010-01-01 2010-01-01 false Description of program activities. 20.4 Section 20.4 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER PREPARATION, TRANSMITTAL, AND PROCESSING OF DOCUMENTS HANDLING OF THE UNITED STATES GOVERNMENT MANUAL STATEMENTS § 20.4...

  7. 44 CFR 59.2 - Description of program.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... HOMELAND SECURITY INSURANCE AND HAZARD MITIGATION National Flood Insurance Program GENERAL PROVISIONS General § 59.2 Description of program. (a) The National Flood Insurance Act of 1968 was enacted by title... previously unavailable flood insurance protection to property owners in flood-prone areas. Mudslide (as...

  8. 44 CFR 59.2 - Description of program.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... HOMELAND SECURITY INSURANCE AND HAZARD MITIGATION National Flood Insurance Program GENERAL PROVISIONS General § 59.2 Description of program. (a) The National Flood Insurance Act of 1968 was enacted by title... previously unavailable flood insurance protection to property owners in flood-prone areas. Mudslide (as...

  9. 44 CFR 59.2 - Description of program.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... HOMELAND SECURITY INSURANCE AND HAZARD MITIGATION National Flood Insurance Program GENERAL PROVISIONS General § 59.2 Description of program. (a) The National Flood Insurance Act of 1968 was enacted by title... previously unavailable flood insurance protection to property owners in flood-prone areas. Mudslide (as...

  10. 44 CFR 59.2 - Description of program.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... HOMELAND SECURITY INSURANCE AND HAZARD MITIGATION National Flood Insurance Program GENERAL PROVISIONS General § 59.2 Description of program. (a) The National Flood Insurance Act of 1968 was enacted by title... previously unavailable flood insurance protection to property owners in flood-prone areas. Mudslide (as...

  11. 49 CFR 572.141 - General description.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) ANTHROPOMORPHIC TEST DEVICES 3-year-Old Child Crash Test Dummy, Alpha Version § 572.141 General description. (a) The Hybrid III 3-year-old child dummy is described by the following materials: (1) Technical drawings and specifications package 210-0000 (refer to...

  12. 49 CFR 572.81 - General description.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) ANTHROPOMORPHIC TEST DEVICES 9-Month Old Child § 572.81 General description. (a) The dummy consists of: (1) The assembly specified in drawing LP 1049/A, March 1979, which is described in its entirety by means of approximately 54 separate drawings and...

  13. Through the big bang: Continuing Einstein's equations beyond a cosmological singularity

    NASA Astrophysics Data System (ADS)

    Koslowski, Tim A.; Mercati, Flavio; Sloan, David

    2018-03-01

    All measurements are comparisons. The only physically accessible degrees of freedom (DOFs) are dimensionless ratios. The objective description of the universe as a whole thus predicts only how these ratios change collectively as one of them is changed. Here we develop a description for classical Bianchi IX cosmology implementing these relational principles. The objective evolution decouples from the volume and its expansion degree of freedom. We use the relational description to investigate both vacuum dominated and quiescent Bianchi IX cosmologies. In the vacuum dominated case the relational dynamical system predicts an infinite amount of change of the relational DOFs, in accordance with the well known chaotic behaviour of Bianchi IX. In the quiescent case the relational dynamical system evolves uniquely though the point where the decoupled scale DOFs predict the big bang/crunch. This is a non-trivial prediction of the relational description; the big bang/crunch is not the end of physics - it is instead a regular point of the relational evolution. Describing our solutions as spacetimes that satisfy Einstein's equations, we find that the relational dynamical system predicts two singular solutions of GR that are connected at the hypersurface of the singularity such that relational DOFs are continuous and the orientation of the spatial frame is inverted.

  14. Mesoscale Models of Fluid Dynamics

    NASA Astrophysics Data System (ADS)

    Boghosian, Bruce M.; Hadjiconstantinou, Nicolas G.

    During the last half century, enormous progress has been made in the field of computational materials modeling, to the extent that in many cases computational approaches are used in a predictive fashion. Despite this progress, modeling of general hydrodynamic behavior remains a challenging task. One of the main challenges stems from the fact that hydrodynamics manifests itself over a very wide range of length and time scales. On one end of the spectrum, one finds the fluid's "internal" scale characteristic of its molecular structure (in the absence of quantum effects, which we omit in this chapter). On the other end, the "outer" scale is set by the characteristic sizes of the problem's domain. The resulting scale separation or lack thereof as well as the existence of intermediate scales are key to determining the optimal approach. Successful treatments require a judicious choice of the level of description which is a delicate balancing act between the conflicting requirements of fidelity and manageable computational cost: a coarse description typically requires models for underlying processes occuring at smaller length and time scales; on the other hand, a fine-scale model will incur a significantly larger computational cost.

  15. Coordinated Interpersonal Behaviour in Collective Dance Improvisation: The Aesthetics of Kinaesthetic Togetherness.

    PubMed

    Himberg, Tommi; Laroche, Julien; Bigé, Romain; Buchkowski, Megan; Bachrach, Asaf

    2018-02-09

    Collective dance improvisation (e.g., traditional and social dancing, contact improvisation) is a participatory, relational and embodied art form which eschews standard concepts in aesthetics. We present our ongoing research into the mechanisms underlying the lived experience of "togetherness" associated with such practices. Togetherness in collective dance improvisation is kinaesthetic (based on movement and its perception), and so can be simultaneously addressed from the perspective of the performers and the spectators, and be measured. We utilise these multiple levels of description: the first-person, phenomenological level of personal experiences, the third-person description of brain and body activity, and the level of interpersonal dynamics. Here, we describe two of our protocols: a four-person mirror game and a 'rhythm battle' dance improvisation score. Using an interpersonal closeness measure after the practice, we correlate subjective sense of individual/group connectedness and observed levels of in-group temporal synchronization. We propose that kinaesthetic togetherness, or interpersonal resonance, is integral to the aesthetic pleasure of the participants and spectators, and that embodied feeling of togetherness might play a role more generally in aesthetic experience in the performing arts.

  16. Aeroelastic analysis for helicopter rotors with blade appended pendulum vibration absorbers. Mathematical derivations and program user's manual

    NASA Technical Reports Server (NTRS)

    Bielawa, R. L.

    1982-01-01

    Mathematical development is presented for the expanded capabilities of the United Technologies Research Center (UTRC) G400 Rotor Aeroelastic Analysis. This expanded analysis, G400PA, simulates the dynamics of teetered rotors, blade pendulum vibration absorbers and the higher harmonic excitations resulting from prescribed vibratory hub motions and higher harmonic blade pitch control. Formulations are also presented for calculating the rotor impedance matrix appropriate to these higher harmonic blade excitations. This impedance matrix and the associated vibratory hub loads are intended as the rotor blade characteristics elements for use in the Simplified Coupled Rotor/Fuselage Vibration Analysis (SIMVIB). Sections are included presenting updates to the development of the original G400 theory, and material appropriate to the user of the G400PA computer program. This material includes: (1) a general descriptionof the tructuring of the G400PA FORTRAN coding, (2) a detaild description of the required input data and other useful information for successfully running the program, and (3) a detailed description of the output results.

  17. Order in dense hydrogen at low temperatures

    PubMed Central

    Edwards, B.; Ashcroft, N. W.

    2004-01-01

    By increase in density, impelled by pressure, the electronic energy bands in dense hydrogen attain significant widths. Nevertheless, arguments can be advanced suggesting that a physically consistent description of the general consequences of this electronic structure can still be constructed from interacting but state-dependent multipoles. These reflect, in fact self-consistently, a disorder-induced localization of electron states partially manifesting the effects of proton dynamics; they retain very considerable spatial inhomogeneity (as they certainly do in the molecular limit). This description, which is valid provided that an overall energy gap has not closed, leads at a mean-field level to the expected quadrupolar coupling, but also for certain structures to the eventual emergence of dipolar terms and their coupling when a state of broken charge symmetry is developed. A simple Hamiltonian incorporating these basic features then leads to a high-density, low-temperature phase diagram that appears to be in substantial agreement with experiment. In particular, it accounts for the fact that whereas the phase I–II phase boundary has a significant isotope dependence, the phase II–III boundary has very little. PMID:15028839

  18. Time-resolved spectroscopy at surfaces and adsorbate dynamics:insights from a model-system approach

    NASA Astrophysics Data System (ADS)

    Boström, Emil; Mikkelsen, Anders; Verdozzi, Claudio

    We introduce a finite-system, model description of the initial stages of femtosecond laser induced desorption at surfaces. Using the exact many-body time evolution and also results from a novel time-dependent DFT description for electron-nuclear systems, we analyse the competition between several surface-response mechanisms and electronic correlations in the transient and longer time dynamics under the influence of dipole-coupled fields. Our model allows us to explore how coherent multiple-pulse protocols impact desorption in a variety of prototypical experiments.

  19. A retarding ion mass spectrometer for the Dynamics Explorer-1

    NASA Technical Reports Server (NTRS)

    Wright, W.

    1985-01-01

    The Retarding Ion Mass Spectrometer (RIMS) for Dynamics Explorer-1 is an instrument designed to measure the details of the thermal plasma distribution. It combines the ion temperature determining capability of the retarding potential analyzer with the compositional capabilities of the mass spectrometer and adds multiple sensor heads to sample all directions relative to the spacecraft ram direction. This manual provides a functional description of the RIMS, the instrument calibration, and a description of the commands which can be stored in the instrument logic to control its operation.

  20. Role of Graph Architecture in Controlling Dynamical Networks with Applications to Neural Systems.

    PubMed

    Kim, Jason Z; Soffer, Jonathan M; Kahn, Ari E; Vettel, Jean M; Pasqualetti, Fabio; Bassett, Danielle S

    2018-01-01

    Networked systems display complex patterns of interactions between components. In physical networks, these interactions often occur along structural connections that link components in a hard-wired connection topology, supporting a variety of system-wide dynamical behaviors such as synchronization. While descriptions of these behaviors are important, they are only a first step towards understanding and harnessing the relationship between network topology and system behavior. Here, we use linear network control theory to derive accurate closed-form expressions that relate the connectivity of a subset of structural connections (those linking driver nodes to non-driver nodes) to the minimum energy required to control networked systems. To illustrate the utility of the mathematics, we apply this approach to high-resolution connectomes recently reconstructed from Drosophila, mouse, and human brains. We use these principles to suggest an advantage of the human brain in supporting diverse network dynamics with small energetic costs while remaining robust to perturbations, and to perform clinically accessible targeted manipulation of the brain's control performance by removing single edges in the network. Generally, our results ground the expectation of a control system's behavior in its network architecture, and directly inspire new directions in network analysis and design via distributed control.

  1. Refined BCF-type boundary conditions for mesoscale surface step dynamics

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

    Zhao, Renjie; Ackerman, David M.; Evans, James W.

    Deposition on a vicinal surface with alternating rough and smooth steps is described by a solid-on-solid model with anisotropic interactions. Kinetic Monte Carlo (KMC) simulations of the model reveal step pairing in the absence of any additional step attachment barriers. We explore the description of this behavior within an analytic Burton-Cabrera-Frank (BCF)-type step dynamics treatment. Without attachment barriers, conventional kinetic coefficients for the rough and smooth steps are identical, as are the predicted step velocities for a vicinal surface with equal terrace widths. However, we determine refined kinetic coefficients from a two-dimensional discrete deposition-diffusion equation formalism which accounts for stepmore » structure. These coefficients are generally higher for rough steps than for smooth steps, reflecting a higher propensity for capture of diffusing terrace adatoms due to a higher kink density. Such refined coefficients also depend on the local environment of the step and can even become negative (corresponding to net detachment despite an excess adatom density) for a smooth step in close proximity to a rough step. Incorporation of these refined kinetic coefficients into a BCF-type step dynamics treatment recovers quantitatively the mesoscale step-pairing behavior observed in the KMC simulations.« less

  2. Role of graph architecture in controlling dynamical networks with applications to neural systems

    NASA Astrophysics Data System (ADS)

    Kim, Jason Z.; Soffer, Jonathan M.; Kahn, Ari E.; Vettel, Jean M.; Pasqualetti, Fabio; Bassett, Danielle S.

    2018-01-01

    Networked systems display complex patterns of interactions between components. In physical networks, these interactions often occur along structural connections that link components in a hard-wired connection topology, supporting a variety of system-wide dynamical behaviours such as synchronization. Although descriptions of these behaviours are important, they are only a first step towards understanding and harnessing the relationship between network topology and system behaviour. Here, we use linear network control theory to derive accurate closed-form expressions that relate the connectivity of a subset of structural connections (those linking driver nodes to non-driver nodes) to the minimum energy required to control networked systems. To illustrate the utility of the mathematics, we apply this approach to high-resolution connectomes recently reconstructed from Drosophila, mouse, and human brains. We use these principles to suggest an advantage of the human brain in supporting diverse network dynamics with small energetic costs while remaining robust to perturbations, and to perform clinically accessible targeted manipulation of the brain's control performance by removing single edges in the network. Generally, our results ground the expectation of a control system's behaviour in its network architecture, and directly inspire new directions in network analysis and design via distributed control.

  3. Dynamical transition between weak and strong coupling in Brillouin laser pulse amplification

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

    Schluck, F.; Lehmann, G.; Müller, C.

    Short laser pulse amplification via stimulated Brillouin backscattering in plasma is considered. Previous work distinguishes between the weakly and strongly coupled regime and treats them separately. It is shown here that such a separation is not generally applicable because strong and weak coupling interaction regimes are entwined with each other. An initially weakly coupled amplification scenario may dynamically transform into strong coupling. This happens when the local seed amplitude grows and thus triggers the strongly driven plasma response. On the other hand, when in a strong coupling scenario, the pump pulse gets depleted, and its amplitude might drop below themore » strong coupling threshold. This may cause significant changes in the final seed pulse shape. Furthermore, experimentally used pump pulses are typically Gaussian-shaped. The intensity threshold for strong coupling may only be exceeded around the maximum and not in the wings of the pulse. Also here, a description valid in both strong and weak coupling regimes is required. We propose such a unified treatment which allows us, in particular, to study the dynamic transition between weak and strong coupling. Consequences for the pulse forms of the amplified seed are discussed.« less

  4. Refined BCF-type boundary conditions for mesoscale surface step dynamics

    DOE PAGES

    Zhao, Renjie; Ackerman, David M.; Evans, James W.

    2015-06-24

    Deposition on a vicinal surface with alternating rough and smooth steps is described by a solid-on-solid model with anisotropic interactions. Kinetic Monte Carlo (KMC) simulations of the model reveal step pairing in the absence of any additional step attachment barriers. We explore the description of this behavior within an analytic Burton-Cabrera-Frank (BCF)-type step dynamics treatment. Without attachment barriers, conventional kinetic coefficients for the rough and smooth steps are identical, as are the predicted step velocities for a vicinal surface with equal terrace widths. However, we determine refined kinetic coefficients from a two-dimensional discrete deposition-diffusion equation formalism which accounts for stepmore » structure. These coefficients are generally higher for rough steps than for smooth steps, reflecting a higher propensity for capture of diffusing terrace adatoms due to a higher kink density. Such refined coefficients also depend on the local environment of the step and can even become negative (corresponding to net detachment despite an excess adatom density) for a smooth step in close proximity to a rough step. Incorporation of these refined kinetic coefficients into a BCF-type step dynamics treatment recovers quantitatively the mesoscale step-pairing behavior observed in the KMC simulations.« less

  5. Study of the dynamics of orbital assemblies including interactions with geometrical appendages

    NASA Technical Reports Server (NTRS)

    Ness, D. J.

    1972-01-01

    The complete equations for the Unified Flexible Spacecraft Simulation (UFSS) program developed for the NASA/MSFC are presented. This general purpose simulation program is based on an algorithm which utilizes the digital computer to synthesize the dynamic and kinematic equations for a topological tree configuration of N interconnected bodies (the interconnected system of bodies forms no closed loops), the terminal members of which may be flexible. Necessary input quantities to the dynamic subroutine include the mass and inertia properties of each body and the flexible characteristics of each terminal member in addition to the specification, for each body, of those bodies to which it connects. This latter description involves the specification of the number of rotational degrees of freedom at each interconnection along with the associated position vectors defining these connections relative to the mass centers of the bodies involved. These position vectors can be input as time-varying functions if desired, thus affording the capability of studying the effects of time-varying hinge locations. Springs and dampers are assumed to act at each interconnection and structural damping in the flexible terminal members is included in the form of equivalent viscous damping.

  6. In vivo dynamical behavior of yeast chromatin modeled as an entangled polymer network with constraint release

    NASA Astrophysics Data System (ADS)

    Wang, Chenxi; Kilfoil, Maria L.

    2013-03-01

    The high fidelity segregation of chromatin is the central problem in cell mitosis. The role of mechanics underlying this, however, is undetermined. Work in this area has largely focused on cytoskeletal elements of the process. Preliminary work in our lab suggests the mechanical properties of chromatin are fundamental in this process. Nevertheless, the mechanical properties of chromatin in the cellular context are not well-characterized. For better understanding of the role of mechanics in this cellular process, and of the chromatin mechanics in vivo generally, a systematic dynamical description of chromatin in vivo is required. Accordingly, we label specific sites on chromatin with fluorescent proteins of different wave lengths, enabling us to detect multiple spots separately in 3D and track their displacements in time inside living yeast cells. We analyze the pairwise cross-correlated motion between spots as a function of relative distance along the DNA contour. Comparison between the reptation model and our data serves to test our conjecture that chromatin in the cell is basically an entangled polymer network under constraints to thermal motion, and removal of constraints by non-thermal cellular processes is expected to affect its dynamic behavior.

  7. A New Model for Self-organized Dynamics and Its Flocking Behavior

    NASA Astrophysics Data System (ADS)

    Motsch, Sebastien; Tadmor, Eitan

    2011-09-01

    We introduce a model for self-organized dynamics which, we argue, addresses several drawbacks of the celebrated Cucker-Smale (C-S) model. The proposed model does not only take into account the distance between agents, but instead, the influence between agents is scaled in term of their relative distance. Consequently, our model does not involve any explicit dependence on the number of agents; only their geometry in phase space is taken into account. The use of relative distances destroys the symmetry property of the original C-S model, which was the key for the various recent studies of C-S flocking behavior. To this end, we introduce here a new framework to analyze the phenomenon of flocking for a rather general class of dynamical systems, which covers systems with non-symmetric influence matrices. In particular, we analyze the flocking behavior of the proposed model as well as other strongly asymmetric models with "leaders". The methodology presented in this paper, based on the notion of active sets, carries over from the particle to kinetic and hydrodynamic descriptions. In particular, we discuss the hydrodynamic formulation of our proposed model, and prove its unconditional flocking for slowly decaying influence functions.

  8. Goddard trajectory determination subsystem: Mathematical specifications

    NASA Technical Reports Server (NTRS)

    Wagner, W. E. (Editor); Velez, C. E. (Editor)

    1972-01-01

    The mathematical specifications of the Goddard trajectory determination subsystem of the flight dynamics system are presented. These specifications include the mathematical description of the coordinate systems, dynamic and measurement model, numerical integration techniques, and statistical estimation concepts.

  9. Influence of chemical reactions on the nonlinear dynamics of dissipative flows

    NASA Astrophysics Data System (ADS)

    Karimov, A. R.; Korshunov, A. M.; Beklemishev, V. V.

    2015-08-01

    The nonlinear dynamics of resistive flow with a chemical reaction is studied. Proceeding from the Lagrangian description, the influence of a chemical reaction on the development of fluid singularities is considered.

  10. Spatio-Temporal Regression Based Clustering of Precipitation Extremes in a Presence of Systematically Missing Covariates

    NASA Astrophysics Data System (ADS)

    Kaiser, Olga; Martius, Olivia; Horenko, Illia

    2017-04-01

    Regression based Generalized Pareto Distribution (GPD) models are often used to describe the dynamics of hydrological threshold excesses relying on the explicit availability of all of the relevant covariates. But, in real application the complete set of relevant covariates might be not available. In this context, it was shown that under weak assumptions the influence coming from systematically missing covariates can be reflected by a nonstationary and nonhomogenous dynamics. We present a data-driven, semiparametric and an adaptive approach for spatio-temporal regression based clustering of threshold excesses in a presence of systematically missing covariates. The nonstationary and nonhomogenous behavior of threshold excesses is describes by a set of local stationary GPD models, where the parameters are expressed as regression models, and a non-parametric spatio-temporal hidden switching process. Exploiting nonparametric Finite Element time-series analysis Methodology (FEM) with Bounded Variation of the model parameters (BV) for resolving the spatio-temporal switching process, the approach goes beyond strong a priori assumptions made is standard latent class models like Mixture Models and Hidden Markov Models. Additionally, the presented FEM-BV-GPD provides a pragmatic description of the corresponding spatial dependence structure by grouping together all locations that exhibit similar behavior of the switching process. The performance of the framework is demonstrated on daily accumulated precipitation series over 17 different locations in Switzerland from 1981 till 2013 - showing that the introduced approach allows for a better description of the historical data.

  11. Extended tests of an SU(3) partial dynamical symmetry

    DOE PAGES

    Couture, Aaron Joseph; Casten, Richard F.; Cakirli, R. B.

    2015-01-16

    Background: A recent survey of well-deformed rare earth nuclei showed that B(E2) values from the γ band to the ground band could be explained rather well by a parameter-free description in terms of a partial dynamical symmetry (PDS). Purpose: Our purpose in this paper is to extend this study to deformed and transitional nuclei in the actinide and A ~ 100 regions to determine if the success of the PDS description is general in medium- and heavy-mass nuclei and to investigate further where it breaks down. Method: As with the previous study we study the empirical relative B(E2 : γmore » to ground) values in comparison to a pure rotor (Alaga) model and to the SU(3) PDS. Results: The data for the actinides, albeit sparser than in the rare-earth region, are reasonably well accounted for by the PDS but with systematic discrepancies. For the Mo isotopes, the PDS improves on the Alaga rules but largely fails to account for the data. Conclusions: As in the rare earths, the parameter-free PDS gives improved predictions compared to the Alaga rules for the actinides. The differences between the PDS predictions and the data are shown to point directly to specific mixing effects. Finally, in the Mo isotopes, their transitional character is directly seen in the large deviations of the B(E2) values from the PDS in the direction of the selection rules of the vibrator.« less

  12. Kinetic description of rotating Tokamak plasmas with anisotropic temperatures in the collisionless regime

    NASA Astrophysics Data System (ADS)

    Cremaschini, Claudio; Tessarotto, Massimo

    2011-11-01

    A largely unsolved theoretical issue in controlled fusion research is the consistent kinetic treatment of slowly-time varying plasma states occurring in collisionless and magnetized axisymmetric plasmas. The phenomenology may include finite pressure anisotropies as well as strong toroidal and poloidal differential rotation, characteristic of Tokamak plasmas. Despite the fact that physical phenomena occurring in fusion plasmas depend fundamentally on the microscopic particle phase-space dynamics, their consistent kinetic treatment remains still essentially unchallenged to date. The goal of this paper is to address the problem within the framework of Vlasov-Maxwell description. The gyrokinetic treatment of charged particles dynamics is adopted for the construction of asymptotic solutions for the quasi-stationary species kinetic distribution functions. These are expressed in terms of the particle exact and adiabatic invariants. The theory relies on a perturbative approach, which permits to construct asymptotic analytical solutions of the Vlasov-Maxwell system. In this way, both diamagnetic and energy corrections are included consistently into the theory. In particular, by imposing suitable kinetic constraints, the existence of generalized bi-Maxwellian asymptotic kinetic equilibria is pointed out. The theory applies for toroidal rotation velocity of the order of the ion thermal speed. These solutions satisfy identically also the constraints imposed by the Maxwell equations, i.e., quasi-neutrality and Ampere's law. As a result, it is shown that, in the presence of nonuniform fluid and EM fields, these kinetic equilibria can sustain simultaneously toroidal differential rotation, quasi-stationary finite poloidal flows and temperature anisotropy.

  13. DYGABCD: A program for calculating linear A, B, C, and D matrices from a nonlinear dynamic engine simulation

    NASA Technical Reports Server (NTRS)

    Geyser, L. C.

    1978-01-01

    A digital computer program, DYGABCD, was developed that generates linearized, dynamic models of simulated turbofan and turbojet engines. DYGABCD is based on an earlier computer program, DYNGEN, that is capable of calculating simulated nonlinear steady-state and transient performance of one- and two-spool turbojet engines or two- and three-spool turbofan engines. Most control design techniques require linear system descriptions. For multiple-input/multiple-output systems such as turbine engines, state space matrix descriptions of the system are often desirable. DYGABCD computes the state space matrices commonly referred to as the A, B, C, and D matrices required for a linear system description. The report discusses the analytical approach and provides a users manual, FORTRAN listings, and a sample case.

  14. Impact of Beads and Drops on a Repellent Solid Surface: A Unified Description

    NASA Astrophysics Data System (ADS)

    Arora, S.; Fromental, J.-M.; Mora, S.; Phou, Ty; Ramos, L.; Ligoure, C.

    2018-04-01

    We investigate freely expanding sheets formed by ultrasoft gel beads, and liquid and viscoelastic drops, produced by the impact of the bead or drop on a silicon wafer covered with a thin layer of liquid nitrogen that suppresses viscous dissipation thanks to an inverse Leidenfrost effect. Our experiments show a unified behavior for the impact dynamics that holds for solids, liquids, and viscoelastic fluids and that we rationalize by properly taking into account elastocapillary effects. In this framework, the classical impact dynamics of solids and liquids, as far as viscous dissipation is negligible, appears as the asymptotic limits of a universal theoretical description. A novel material-dependent characteristic velocity that includes both capillary and bulk elasticity emerges from this unified description of the physics of impact.

  15. Adult Competency Education Kit. Basic Skills in Speaking, Math, and Reading for Employment. Part R. ACE Competency Based Job Descriptions: #95--Bus Driver; #98--General Loader; #99--Forklift Operator; #100--Material Handler.

    ERIC Educational Resources Information Center

    San Mateo County Office of Education, Redwood City, CA. Career Preparation Centers.

    This fifteenth of fifteen sets of Adult Competency Education (ACE) Competency Based Job Descriptions in the ACE kit contains job descriptions for Bus Driver, General Loader, Forklift Operator, and Material Handler. Each begins with a fact sheet that includes this information: occupational title, D.O.T. code, ACE number, career ladder, D.O.T.…

  16. 16 CFR 1611.2 - General description of products covered.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... REGULATIONS STANDARD FOR THE FLAMMABILITY OF VINYL PLASTIC FILM The Standard § 1611.2 General description of products covered. The material covered is nonrigid, unsupported, vinyl plastic film, including transparent... the scope of this standard. The vinyl plastic film covered by Commercial Standard 192-53, as...

  17. 16 CFR 1611.2 - General description of products covered.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... REGULATIONS STANDARD FOR THE FLAMMABILITY OF VINYL PLASTIC FILM The Standard § 1611.2 General description of products covered. The material covered is nonrigid, unsupported, vinyl plastic film, including transparent... the scope of this standard. The vinyl plastic film covered by Commercial Standard 192-53, as...

  18. 16 CFR 1611.2 - General description of products covered.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... REGULATIONS STANDARD FOR THE FLAMMABILITY OF VINYL PLASTIC FILM The Standard § 1611.2 General description of products covered. The material covered is nonrigid, unsupported, vinyl plastic film, including transparent... the scope of this standard. The vinyl plastic film covered by Commercial Standard 192-53, as...

  19. 22 CFR 161.8 - General description of the Department's NEPA process.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... § 161.8 General description of the Department's NEPA process. In reviewing proposed actions for potential environmental effects in the United States responsible action officers will follow the procedural... review the action to determine if it may cause potential significant environmental effects on the...

  20. 16 CFR 1611.2 - General description of products covered.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... REGULATIONS STANDARD FOR THE FLAMMABILITY OF VINYL PLASTIC FILM The Standard § 1611.2 General description of products covered. The material covered is nonrigid, unsupported, vinyl plastic film, including transparent... the scope of this standard. The vinyl plastic film covered by Commercial Standard 192-53, as...

  1. Software Design Description for the HYbrid Coordinate Ocean Model (HYCOM), Version 2.2

    DTIC Science & Technology

    2009-02-12

    scalars. J. Phys. Oceanogr. 32: 240–264. Carnes, M., (2002). Data base description for the Generalized Digital Environmental Model ( GDEM -V) (U...Direction FCT Flux-Corrected Transport scheme GDEM Generalized Digital Environmental Model GISS NASA Goddard Institute for Space Studies GRD

  2. 42 CFR 456.241 - Purpose and general description.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... health care. (b) Medical care evaluation studies— (1) Emphasize identification and analysis of patterns... Ur Plan: Medical Care Evaluation Studies § 456.241 Purpose and general description. (a) The purpose of medical care evaluation studies is to promote the most effective and efficient use of available...

  3. 42 CFR 456.241 - Purpose and general description.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... health care. (b) Medical care evaluation studies— (1) Emphasize identification and analysis of patterns... Ur Plan: Medical Care Evaluation Studies § 456.241 Purpose and general description. (a) The purpose of medical care evaluation studies is to promote the most effective and efficient use of available...

  4. 49 CFR 572.15 - General description.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) ANTHROPOMORPHIC TEST DEVICES 3-Year-Old Child § 572.15 General description. (a) The dummy consists of the component assemblies specified in drawing SA 103C 001, which are described in their entirety by means of approximately 122 drawings and specifications and an...

  5. DidFail: Coverage and Precision Enhancement

    DTIC Science & Technology

    2017-07-07

    Android developer website [4] for a detailed description of these methods. To test this approach, we developed two example apps with different complexities...broadcast receivers by performing an extra analytical step to find dynamic receivers and append descriptions of them to the manifest file before the data

  6. Noisy Oscillations in the Actin Cytoskeleton of Chemotactic Amoeba.

    PubMed

    Negrete, Jose; Pumir, Alain; Hsu, Hsin-Fang; Westendorf, Christian; Tarantola, Marco; Beta, Carsten; Bodenschatz, Eberhard

    2016-09-30

    Biological systems with their complex biochemical networks are known to be intrinsically noisy. Here we investigate the dynamics of actin polymerization of amoeboid cells, which are close to the onset of oscillations. We show that the large phenotypic variability in the polymerization dynamics can be accurately captured by a generic nonlinear oscillator model in the presence of noise. We determine the relative role of the noise with a single dimensionless, experimentally accessible parameter, thus providing a quantitative description of the variability in a population of cells. Our approach, which rests on a generic description of a system close to a Hopf bifurcation and includes the effect of noise, can characterize the dynamics of a large class of noisy systems close to an oscillatory instability.

  7. Description of the dynamic infrared background/target simulator (DIBS)

    NASA Astrophysics Data System (ADS)

    Lujan, Ignacio

    1988-01-01

    The purpose of the Dynamic Infrared Background/Target Simulator (DIBS) is to project dynamic infrared scenes to a test sensor; e.g., a missile seeker that is sensitive to infrared energy. The projected scene will include target(s) and background. This system was designed to present flicker-free infrared scenes in the 8 micron to 12 micron wavelength region. The major subassemblies of the DIBS are the laser write system (LWS), vanadium dioxide modulator assembly, scene data buffer (SDB), and the optical image translator (OIT). This paper describes the overall concept and design of the infrared scene projector followed by some details of the LWS and VO2 modulator. Also presented are brief descriptions of the SDB and OIT.

  8. Noisy Oscillations in the Actin Cytoskeleton of Chemotactic Amoeba

    NASA Astrophysics Data System (ADS)

    Negrete, Jose; Pumir, Alain; Hsu, Hsin-Fang; Westendorf, Christian; Tarantola, Marco; Beta, Carsten; Bodenschatz, Eberhard

    2016-09-01

    Biological systems with their complex biochemical networks are known to be intrinsically noisy. Here we investigate the dynamics of actin polymerization of amoeboid cells, which are close to the onset of oscillations. We show that the large phenotypic variability in the polymerization dynamics can be accurately captured by a generic nonlinear oscillator model in the presence of noise. We determine the relative role of the noise with a single dimensionless, experimentally accessible parameter, thus providing a quantitative description of the variability in a population of cells. Our approach, which rests on a generic description of a system close to a Hopf bifurcation and includes the effect of noise, can characterize the dynamics of a large class of noisy systems close to an oscillatory instability.

  9. Dynamical Systems and Jung, with a Note on Language

    ERIC Educational Resources Information Center

    Barrett, Bruce E.

    2011-01-01

    Comments on the original article "Rethinking intractable conflict: The perspective of dynamical systems," by R. R. Vallacher, P. T. Coleman, A. Nowak, and L. Bui-Wrzosinska. Vallacher et al presented an intriguing description of dynamical systems theory as applied to the understanding of intractable conflicts ranging from the intrapsychic to the…

  10. Fluid dynamics computer programs for NERVA turbopump

    NASA Technical Reports Server (NTRS)

    Brunner, J. J.

    1972-01-01

    During the design of the NERVA turbopump, numerous computer programs were developed for the analyses of fluid dynamic problems within the machine. Program descriptions, example cases, users instructions, and listings for the majority of these programs are presented.

  11. A new theoretical approach to analyze complex processes in cytoskeleton proteins.

    PubMed

    Li, Xin; Kolomeisky, Anatoly B

    2014-03-20

    Cytoskeleton proteins are filament structures that support a large number of important biological processes. These dynamic biopolymers exist in nonequilibrium conditions stimulated by hydrolysis chemical reactions in their monomers. Current theoretical methods provide a comprehensive picture of biochemical and biophysical processes in cytoskeleton proteins. However, the description is only qualitative under biologically relevant conditions because utilized theoretical mean-field models neglect correlations. We develop a new theoretical method to describe dynamic processes in cytoskeleton proteins that takes into account spatial correlations in the chemical composition of these biopolymers. Our approach is based on analysis of probabilities of different clusters of subunits. It allows us to obtain exact analytical expressions for a variety of dynamic properties of cytoskeleton filaments. By comparing theoretical predictions with Monte Carlo computer simulations, it is shown that our method provides a fully quantitative description of complex dynamic phenomena in cytoskeleton proteins under all conditions.

  12. Kinetic and dynamic probability-density-function descriptions of disperse turbulent two-phase flows

    NASA Astrophysics Data System (ADS)

    Minier, Jean-Pierre; Profeta, Christophe

    2015-11-01

    This article analyzes the status of two classical one-particle probability density function (PDF) descriptions of the dynamics of discrete particles dispersed in turbulent flows. The first PDF formulation considers only the process made up by particle position and velocity Zp=(xp,Up) and is represented by its PDF p (t ;yp,Vp) which is the solution of a kinetic PDF equation obtained through a flux closure based on the Furutsu-Novikov theorem. The second PDF formulation includes fluid variables into the particle state vector, for example, the fluid velocity seen by particles Zp=(xp,Up,Us) , and, consequently, handles an extended PDF p (t ;yp,Vp,Vs) which is the solution of a dynamic PDF equation. For high-Reynolds-number fluid flows, a typical formulation of the latter category relies on a Langevin model for the trajectories of the fluid seen or, conversely, on a Fokker-Planck equation for the extended PDF. In the present work, a new derivation of the kinetic PDF equation is worked out and new physical expressions of the dispersion tensors entering the kinetic PDF equation are obtained by starting from the extended PDF and integrating over the fluid seen. This demonstrates that, under the same assumption of a Gaussian colored noise and irrespective of the specific stochastic model chosen for the fluid seen, the kinetic PDF description is the marginal of a dynamic PDF one. However, a detailed analysis reveals that kinetic PDF models of particle dynamics in turbulent flows described by statistical correlations constitute incomplete stand-alone PDF descriptions and, moreover, that present kinetic-PDF equations are mathematically ill posed. This is shown to be the consequence of the non-Markovian characteristic of the stochastic process retained to describe the system and the use of an external colored noise. Furthermore, developments bring out that well-posed PDF descriptions are essentially due to a proper choice of the variables selected to describe physical systems and guidelines are formulated to emphasize the key role played by the notion of slow and fast variables.

  13. 49 CFR 572.191 - General description.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) ANTHROPOMORPHIC TEST DEVICES IIsD Side Impact Crash Test Dummy, Small Adult Female § 572.191 General description. (a) The SID-IIsD Side Impact Crash Test Dummy... the SID-IIsD Side Impact Crash Test Dummy, 5th percentile adult female, is shown in drawing 180-0000...

  14. 49 CFR 572.181 - General description.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) ANTHROPOMORPHIC TEST DEVICES 2re Side Impact Crash Test Dummy, 50th Percentile Adult Male § 572.181 General description. (a) The ES-2re Side Impact Crash Test... (PADI) of the ES-2re Side Impact Crash Test Dummy, February 2008, incorporated by reference, see § 572...

  15. 49 CFR 572.191 - General description.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) ANTHROPOMORPHIC TEST DEVICES IIsD Side Impact Crash Test Dummy, Small Adult Female § 572.191 General description. (a) The SID-IIsD Side Impact Crash Test Dummy... the SID-IIsD Side Impact Crash Test Dummy, 5th percentile adult female, is shown in drawing 180-0000...

  16. 49 CFR 572.181 - General description.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) ANTHROPOMORPHIC TEST DEVICES ES-2re Side Impact Crash Test Dummy, 50th Percentile Adult Male § 572.181 General description. (a) The ES-2re Side Impact Crash... (PADI) of the ES-2re Side Impact Crash Test Dummy, February 2008, incorporated by reference, see § 572...

  17. 49 CFR 572.191 - General description.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) ANTHROPOMORPHIC TEST DEVICES SID-IIsD Side Impact Crash Test Dummy, Small Adult Female § 572.191 General description. (a) The SID-IIsD Side Impact Crash Test... test sensors for the SID-IIsD Side Impact Crash Test Dummy, 5th percentile adult female, is shown in...

  18. 49 CFR 572.181 - General description.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) ANTHROPOMORPHIC TEST DEVICES ES-2re Side Impact Crash Test Dummy, 50th Percentile Adult Male § 572.181 General description. (a) The ES-2re Side Impact Crash... (PADI) of the ES-2re Side Impact Crash Test Dummy, February 2008, incorporated by reference, see § 572...

  19. 49 CFR 572.191 - General description.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) ANTHROPOMORPHIC TEST DEVICES SID-IIsD Side Impact Crash Test Dummy, Small Adult Female § 572.191 General description. (a) The SID-IIsD Side Impact Crash Test... test sensors for the SID-IIsD Side Impact Crash Test Dummy, 5th percentile adult female, is shown in...

  20. 16 CFR § 1611.2 - General description of products covered.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... REGULATIONS STANDARD FOR THE FLAMMABILITY OF VINYL PLASTIC FILM The Standard § 1611.2 General description of products covered. The material covered is nonrigid, unsupported, vinyl plastic film, including transparent... the scope of this standard. The vinyl plastic film covered by Commercial Standard 192-53, as...

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